NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
605043 |
5ieb   |
30023 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# Restraints file 2: RST
#
# 3 ALA HA 4 LEU H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 34, 42, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 3 ALA HA 4 LEU HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 34, 46, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 3 ALA QB 4 LEU H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 36, 37, 38,
&end
#
# 3 ALA QB 4 LEU HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 36, 37, 38,
&end
#
# 4 LEU H 4 LEU HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 42, 46, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 4 LEU H 4 LEU HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 42, 47, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 4 LEU H 4 LEU HG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 42, 49, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 4 LEU H 4 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 51, 52, 53,
&end
#
# 4 LEU HA 4 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 51, 52, 53,
&end
#
# 4 LEU HA 4 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 55, 56, 57,
&end
#
# 4 LEU HA 51 ASP HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 44, 755, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 4 LEU HA 51 ASP HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 44, 756, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 4 LEU HA 52 ALA QB 5.70
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 767, 768, 769,
&end
#
# 4 LEU HB2 4 LEU QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 55, 56, 57,
&end
#
# 4 LEU HB2 52 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 767, 768, 769,
&end
#
# 4 LEU HB2 7 ILE QD1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 105, 106, 107,
&end
#
# 4 LEU HB3 4 LEU QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 51, 52, 53,
&end
#
# 4 LEU HB3 5 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 47, 61, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 LEU QD1 51 ASP HB2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 51, 52, 53,
&end
#
# 4 LEU QD1 51 ASP HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 51, 52, 53,
&end
#
# 4 LEU QD1 52 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 51, 52, 53,
igr2= 767, 768, 769,
&end
#
# 4 LEU QD1 7 ILE HG13 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 51, 52, 53,
&end
#
# 4 LEU QD1 7 ILE QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 51, 52, 53,
igr2= 105, 106, 107,
&end
#
# 4 LEU QD2 51 ASP HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 55, 56, 57,
&end
#
# 4 LEU QD2 51 ASP HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 55, 56, 57,
&end
#
# 4 LEU QD2 52 ALA QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 55, 56, 57,
igr2= 767, 768, 769,
&end
#
# 4 LEU QD2 5 THR H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 55, 56, 57,
&end
#
# 4 LEU QD2 7 ILE HG13 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 55, 56, 57,
&end
#
# 4 LEU QD2 7 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 55, 56, 57,
igr2= 105, 106, 107,
&end
#
# 5 THR H 51 ASP HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 61, 755, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 5 THR H 51 ASP HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 61, 756, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 5 THR H 5 THR HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 61, 65, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 5 THR H 5 THR QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 67, 68, 69,
&end
#
# 5 THR H 6 GLN H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 61, 75, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 5 THR HA 29 LYS HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= 63, 452, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 5 THR HA 29 LYS HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 63, 454, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 5 THR HA 29 LYS HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 63, 455, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 5 THR HA 29 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 63, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 THR HA 29 LYS HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 63, 458, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 5 THR HA 30 THR H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 63, 472, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 5 THR HA 5 THR QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 67, 68, 69,
&end
#
# 5 THR HA 7 ILE HG12 5.30
&rst
ixpk= 0, nxpk= 0, iat= 63, 102, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 5 THR HA 7 ILE QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 105, 106, 107,
&end
#
# 5 THR HB 30 THR H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 65, 472, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 5 THR HB 30 THR HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 65, 474, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 5 THR HB 6 GLN H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 65, 75, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 5 THR HB 6 GLN HE21 5.11
&rst
ixpk= 0, nxpk= 0, iat= 65, 88, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 5 THR HB 6 GLN HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 65, 82, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 5 THR QG2 29 LYS HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 67, 68, 69,
&end
#
# 5 THR QG2 29 LYS HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 67, 68, 69,
&end
#
# 5 THR QG2 30 THR H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 67, 68, 69,
&end
#
# 5 THR QG2 6 GLN H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 67, 68, 69,
&end
#
# 6 GLN H 51 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 75, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN H 51 ASP HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 75, 756, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 6 GLN H 6 GLN HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 75, 79, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 6 GLN H 6 GLN HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 75, 80, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 6 GLN H 6 GLN HG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 75, 82, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 6 GLN H 6 GLN HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 75, 83, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 6 GLN H 7 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 105, 106, 107,
&end
#
# 6 GLN HA 32 VAL QG1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 506, 507, 508,
&end
#
# 6 GLN HA 50 ILE QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 738, 739, 740,
&end
#
# 6 GLN HA 6 GLN HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 77, 83, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 6 GLN HA 7 ILE H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 77, 92, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 6 GLN HB2 32 VAL QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 506, 507, 508,
&end
#
# 6 GLN HB2 32 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 510, 511, 512,
&end
#
# 6 GLN HB2 50 ILE HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 79, 734, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 6 GLN HB2 51 ASP H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 79, 751, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 6 GLN HB2 51 ASP HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 79, 755, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 6 GLN HB2 7 ILE H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 79, 92, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 6 GLN HB3 32 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 506, 507, 508,
&end
#
# 6 GLN HB3 32 VAL QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 510, 511, 512,
&end
#
# 6 GLN HB3 50 ILE HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 80, 734, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 6 GLN HB3 51 ASP H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 80, 751, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 6 GLN HB3 52 ALA H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 80, 763, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 6 GLN HE21 32 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 506, 507, 508,
&end
#
# 6 GLN HE22 30 THR HB 5.55
&rst
ixpk= 0, nxpk= 0, iat= 87, 476, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 6 GLN HE22 32 VAL QG1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 506, 507, 508,
&end
#
# 6 GLN HG2 30 THR HB 5.37
&rst
ixpk= 0, nxpk= 0, iat= 82, 476, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 6 GLN HG2 30 THR QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 478, 479, 480,
&end
#
# 6 GLN HG2 32 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 506, 507, 508,
&end
#
# 6 GLN HG3 30 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 478, 479, 480,
&end
#
# 6 GLN HG3 32 VAL QG1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 506, 507, 508,
&end
#
# 6 GLN HG3 32 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 510, 511, 512,
&end
#
# 6 GLN HG3 50 ILE HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 83, 734, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 7 ILE H 30 THR HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 92, 476, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 7 ILE H 31 PRO HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 92, 496, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 7 ILE H 32 VAL QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 506, 507, 508,
&end
#
# 7 ILE H 32 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 510, 511, 512,
&end
#
# 7 ILE H 7 ILE HB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 7 ILE H 7 ILE HG12 3.99
&rst
ixpk= 0, nxpk= 0, iat= 92, 102, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 7 ILE H 7 ILE HG13 4.20
&rst
ixpk= 0, nxpk= 0, iat= 92, 103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 7 ILE H 7 ILE QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 105, 106, 107,
&end
#
# 7 ILE H 7 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 98, 99, 100,
&end
#
# 7 ILE HA 50 ILE QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 738, 739, 740,
&end
#
# 7 ILE HA 51 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 94, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ILE HA 52 ALA H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 94, 763, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 7 ILE HA 52 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 767, 768, 769,
&end
#
# 7 ILE HA 53 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 94, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ILE HA 53 ALA HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 94, 775, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 7 ILE HA 7 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 105, 106, 107,
&end
#
# 7 ILE HA 7 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 98, 99, 100,
&end
#
# 7 ILE HA 8 LEU H 3.17
&rst
ixpk= 0, nxpk= 0, iat= 94, 111, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 7 ILE HB 24 LEU QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 378, 379, 380,
&end
#
# 7 ILE HB 31 PRO HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 96, 496, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 7 ILE HB 9 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 96, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ILE HG13 24 LEU QD2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 382, 383, 384,
&end
#
# 7 ILE QD1 113 LEU HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 105, 106, 107,
&end
#
# 7 ILE QD1 113 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 105, 106, 107,
igr2=1681,1682,1683,
&end
#
# 7 ILE QD1 24 LEU HG 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 105, 106, 107,
&end
#
# 7 ILE QD1 24 LEU QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 105, 106, 107,
igr2= 378, 379, 380,
&end
#
# 7 ILE QD1 24 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 105, 106, 107,
igr2= 382, 383, 384,
&end
#
# 7 ILE QD1 29 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 105, 106, 107,
&end
#
# 7 ILE QD1 52 ALA H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 105, 106, 107,
&end
#
# 7 ILE QD1 52 ALA QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 105, 106, 107,
igr2= 767, 768, 769,
&end
#
# 7 ILE QD1 53 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 105, 106, 107,
&end
#
# 7 ILE QG2 24 LEU HG 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 31 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 52 ALA H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 52 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 98, 99, 100,
igr2= 767, 768, 769,
&end
#
# 7 ILE QG2 53 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 53 ALA HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 54 ILE H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 54 ILE HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 54 ILE HG13 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 7 ILE HG13 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 7 ILE QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 98, 99, 100,
igr2= 105, 106, 107,
&end
#
# 7 ILE QG2 8 LEU H 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 8 LEU HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 9 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 9 ILE HG12 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 9 ILE HG13 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 98, 99, 100,
&end
#
# 7 ILE QG2 9 ILE QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 98, 99, 100,
igr2= 136, 137, 138,
&end
#
# 8 LEU H 50 ILE QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 738, 739, 740,
&end
#
# 8 LEU H 52 ALA H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 111, 763, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 8 LEU H 53 ALA HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 111, 775, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LEU H 53 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 777, 778, 779,
&end
#
# 8 LEU H 8 LEU HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 111, 115, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 8 LEU H 8 LEU HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 8 LEU H 8 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 120, 121, 122,
&end
#
# 8 LEU HA 32 VAL QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 510, 511, 512,
&end
#
# 8 LEU HA 34 THR HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 113, 525, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 8 LEU HA 8 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 120, 121, 122,
&end
#
# 8 LEU HA 8 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 124, 125, 126,
&end
#
# 8 LEU HA 9 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 113, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LEU HA 9 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 143, 144, 145,
&end
#
# 8 LEU HB2 10 VAL QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 159, 160, 161,
&end
#
# 8 LEU HB2 53 ALA HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= 115, 775, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 8 LEU HB2 53 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 777, 778, 779,
&end
#
# 8 LEU HB2 8 LEU QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 120, 121, 122,
&end
#
# 8 LEU HB2 8 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 124, 125, 126,
&end
#
# 8 LEU HB3 10 VAL QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 159, 160, 161,
&end
#
# 8 LEU HB3 32 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 510, 511, 512,
&end
#
# 8 LEU HB3 50 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 745, 746, 747,
&end
#
# 8 LEU HB3 53 ALA HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 116, 775, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 8 LEU HB3 53 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 777, 778, 779,
&end
#
# 8 LEU HB3 8 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 120, 121, 122,
&end
#
# 8 LEU HB3 8 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 124, 125, 126,
&end
#
# 8 LEU HG 53 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 777, 778, 779,
&end
#
# 8 LEU HG 9 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LEU QD1 32 VAL QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 120, 121, 122,
igr2= 510, 511, 512,
&end
#
# 8 LEU QD1 35 VAL QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 121, 122,
igr2= 543, 544, 545,
&end
#
# 8 LEU QD1 44 ARG HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD1 44 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD1 44 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD1 45 VAL H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD1 45 VAL HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD1 53 ALA QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 120, 121, 122,
igr2= 777, 778, 779,
&end
#
# 8 LEU QD2 34 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 34 THR HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 35 VAL H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 35 VAL HA 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 35 VAL QG1 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 124, 125, 126,
igr2= 543, 544, 545,
&end
#
# 8 LEU QD2 44 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 44 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 44 ARG HE 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 44 ARG HG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 54 ILE H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 124, 125, 126,
&end
#
# 8 LEU QD2 9 ILE H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 124, 125, 126,
&end
#
# 9 ILE H 34 THR HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= 130, 525, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 9 ILE H 35 VAL H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 130, 537, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 9 ILE H 54 ILE H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 130, 783, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 9 ILE H 9 ILE HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 130, 134, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 9 ILE H 9 ILE HG12 4.65
&rst
ixpk= 0, nxpk= 0, iat= 130, 140, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 9 ILE H 9 ILE HG13 4.03
&rst
ixpk= 0, nxpk= 0, iat= 130, 141, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 9 ILE H 9 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 143, 144, 145,
&end
#
# 9 ILE H 9 ILE QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 136, 137, 138,
&end
#
# 9 ILE HA 10 VAL H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 132, 149, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 9 ILE HA 10 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ILE HA 10 VAL QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 159, 160, 161,
&end
#
# 9 ILE HA 11 GLU H 5.70
&rst
ixpk= 0, nxpk= 0, iat= 132, 165, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 9 ILE HA 53 ALA HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 132, 775, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 9 ILE HA 54 ILE H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 132, 783, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 9 ILE HA 54 ILE HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 132, 785, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 9 ILE HA 54 ILE HB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 132, 787, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 9 ILE HA 54 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ILE HA 54 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 789, 790, 791,
&end
#
# 9 ILE HA 55 LEU H 5.45
&rst
ixpk= 0, nxpk= 0, iat= 132, 802, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 9 ILE HA 55 LEU HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 132, 804, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 9 ILE HA 9 ILE QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 143, 144, 145,
&end
#
# 9 ILE HA 9 ILE QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 136, 137, 138,
&end
#
# 9 ILE HB 10 VAL H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 134, 149, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 9 ILE HB 34 THR HA 3.41
&rst
ixpk= 0, nxpk= 0, iat= 134, 525, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 9 ILE HB 34 THR HB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 134, 527, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 9 ILE HB 34 THR QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 529, 530, 531,
&end
#
# 9 ILE HB 35 VAL H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 134, 537, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 9 ILE HB 9 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 143, 144, 145,
&end
#
# 9 ILE HG12 20 LEU QD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 316, 317, 318,
&end
#
# 9 ILE HG12 24 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 378, 379, 380,
&end
#
# 9 ILE QD1 20 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 20 LEU HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU HG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 21 GLU HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 31 PRO HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 31 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 34 THR HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 143, 144, 145,
&end
#
# 9 ILE QD1 34 THR QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 143, 144, 145,
igr2= 529, 530, 531,
&end
#
# 9 ILE QD1 54 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 143, 144, 145,
igr2= 796, 797, 798,
&end
#
# 9 ILE QG2 10 VAL H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 10 VAL HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 11 GLU H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 11 GLU HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 11 GLU QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 136, 137, 138,
igr2= 169, 170,
&end
#
# 9 ILE QG2 17 ALA HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 20 LEU HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 20 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 136, 137, 138,
igr2= 316, 317, 318,
&end
#
# 9 ILE QG2 24 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 136, 137, 138,
igr2= 378, 379, 380,
&end
#
# 9 ILE QG2 34 THR HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 54 ILE HB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 136, 137, 138,
&end
#
# 9 ILE QG2 54 ILE QD1 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 136, 137, 138,
igr2= 796, 797, 798,
&end
#
# 9 ILE QG2 9 ILE HG12 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 136, 137, 138,
&end
#
# 10 VAL H 10 VAL HB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 10 VAL H 10 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 155, 156, 157,
&end
#
# 10 VAL H 10 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 159, 160, 161,
&end
#
# 10 VAL H 11 GLU H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 10 VAL H 34 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 529, 530, 531,
&end
#
# 10 VAL H 53 ALA QB 5.46
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 777, 778, 779,
&end
#
# 10 VAL H 54 ILE H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 149, 783, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 VAL H 54 ILE HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 149, 785, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 10 VAL H 54 ILE HB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 149, 787, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 10 VAL H 54 ILE HG13 5.06
&rst
ixpk= 0, nxpk= 0, iat= 149, 794, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 10 VAL H 54 ILE QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 789, 790, 791,
&end
#
# 10 VAL H 55 LEU H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 149, 802, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 10 VAL H 55 LEU HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= 149, 804, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 10 VAL H 55 LEU QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 811, 812, 813,
&end
#
# 10 VAL H 56 ASP H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 149, 821, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 10 VAL HA 10 VAL QG1 3.25
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 155, 156, 157,
&end
#
# 10 VAL HA 10 VAL QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 159, 160, 161,
&end
#
# 10 VAL HA 11 GLU H 2.90
&rst
ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 10 VAL HA 34 THR HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 151, 525, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 10 VAL HA 34 THR QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 529, 530, 531,
&end
#
# 10 VAL HA 35 VAL H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 151, 537, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 10 VAL HA 35 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 547, 548, 549,
&end
#
# 10 VAL HA 41 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 616, 617, 618,
&end
#
# 10 VAL HB 41 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 616, 617, 618,
&end
#
# 10 VAL HB 55 LEU HA 3.22
&rst
ixpk= 0, nxpk= 0, iat= 153, 804, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 10 VAL HB 55 LEU HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 153, 806, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 10 VAL HB 55 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 811, 812, 813,
&end
#
# 10 VAL HB 55 LEU QD2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 815, 816, 817,
&end
#
# 10 VAL HB 56 ASP H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 153, 821, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 10 VAL QG1 11 GLU H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG1 35 VAL HB 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG1 35 VAL QG2 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 155, 156, 157,
igr2= 547, 548, 549,
&end
#
# 10 VAL QG1 36 ASP H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG1 36 ASP HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG1 37 THR H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG1 41 ALA QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 155, 156, 157,
igr2= 616, 617, 618,
&end
#
# 10 VAL QG1 55 LEU HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG1 55 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 155, 156, 157,
igr2= 811, 812, 813,
&end
#
# 10 VAL QG1 56 ASP H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 155, 156, 157,
&end
#
# 10 VAL QG2 11 GLU H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 34 THR HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 34 THR QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 159, 160, 161,
igr2= 529, 530, 531,
&end
#
# 10 VAL QG2 35 VAL H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 35 VAL HB 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 35 VAL QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 159, 160, 161,
igr2= 547, 548, 549,
&end
#
# 10 VAL QG2 41 ALA HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 41 ALA QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 159, 160, 161,
igr2= 616, 617, 618,
&end
#
# 10 VAL QG2 54 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 55 LEU HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 159, 160, 161,
&end
#
# 10 VAL QG2 55 LEU QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 159, 160, 161,
igr2= 811, 812, 813,
&end
#
# 10 VAL QG2 56 ASP H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 159, 160, 161,
&end
#
# 11 GLU H 12 ASP H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 165, 180, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 11 GLU H 34 THR QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 529, 530, 531,
&end
#
# 11 GLU H 35 VAL H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 165, 537, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 11 GLU H 35 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 547, 548, 549,
&end
#
# 11 GLU H 36 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 165, 553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 GLU H 36 ASP HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 165, 555, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 11 GLU H 59 LEU QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 872, 873, 874,
&end
#
# 11 GLU HA 12 ASP H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 167, 180, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 11 GLU HA 56 ASP H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 167, 821, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 11 GLU HA 56 ASP HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 167, 825, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 11 GLU HA 56 ASP HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 167, 826, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 11 GLU HA 59 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 872, 873, 874,
&end
#
# 11 GLU QB 13 GLU H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 169, 170,
&end
#
# 11 GLU QB 17 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 169, 170,
igr2= 263, 264, 265,
&end
#
# 12 ASP H 13 GLU H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 12 ASP H 13 GLU HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 180, 194, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 12 ASP H 59 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ASP H 59 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 872, 873, 874,
&end
#
# 12 ASP HB2 13 GLU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 184, 192, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 12 ASP HB2 59 LEU HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= 184, 865, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 12 ASP HB2 59 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 872, 873, 874,
&end
#
# 12 ASP HB2 60 ARG H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 184, 882, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 12 ASP HB2 60 ARG HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 184, 884, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 12 ASP HB2 60 ARG HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 184, 886, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 12 ASP HB2 60 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 892, 893,
&end
#
# 12 ASP HB3 13 GLU H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 185, 192, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 12 ASP HB3 59 LEU HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= 185, 865, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 12 ASP HB3 59 LEU QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 872, 873, 874,
&end
#
# 12 ASP HB3 60 ARG H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 185, 882, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 12 ASP HB3 60 ARG HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 185, 884, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 12 ASP HB3 60 ARG HB2 5.69
&rst
ixpk= 0, nxpk= 0, iat= 185, 886, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 13 GLU H 13 GLU HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 192, 196, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 13 GLU H 13 GLU HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat= 192, 197, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 13 GLU H 13 GLU HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 GLU H 16 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 192, 250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLU H 16 ILE HG13 5.34
&rst
ixpk= 0, nxpk= 0, iat= 192, 251, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 13 GLU H 16 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 246, 247, 248,
&end
#
# 13 GLU HA 13 GLU HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 13 GLU HA 13 GLU HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 194, 200, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 13 GLU HA 14 PRO HG3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 194, 212, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 13 GLU HB2 15 LEU H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 196, 221, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 13 GLU HB2 16 ILE H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 196, 240, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 13 GLU HB2 16 ILE HG12 4.36
&rst
ixpk= 0, nxpk= 0, iat= 196, 250, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 13 GLU HB2 16 ILE HG13 4.15
&rst
ixpk= 0, nxpk= 0, iat= 196, 251, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 13 GLU HB2 16 ILE QD1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 253, 254, 255,
&end
#
# 13 GLU HB2 16 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 246, 247, 248,
&end
#
# 13 GLU HB3 16 ILE H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 197, 240, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 13 GLU HB3 16 ILE HG12 4.93
&rst
ixpk= 0, nxpk= 0, iat= 197, 250, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 13 GLU HB3 16 ILE HG13 4.50
&rst
ixpk= 0, nxpk= 0, iat= 197, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 GLU HB3 16 ILE QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 253, 254, 255,
&end
#
# 13 GLU HB3 16 ILE QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 246, 247, 248,
&end
#
# 13 GLU HG2 14 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 208, 209,
&end
#
# 13 GLU HG2 15 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 199, 221, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 13 GLU HG2 16 ILE H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 199, 240, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 13 GLU HG2 16 ILE HG12 4.92
&rst
ixpk= 0, nxpk= 0, iat= 199, 250, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 13 GLU HG2 16 ILE HG13 5.28
&rst
ixpk= 0, nxpk= 0, iat= 199, 251, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 13 GLU HG2 16 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 253, 254, 255,
&end
#
# 13 GLU HG3 14 PRO QD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 208, 209,
&end
#
# 13 GLU HG3 15 LEU H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 200, 221, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 13 GLU HG3 16 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 200, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLU HG3 16 ILE HG12 4.71
&rst
ixpk= 0, nxpk= 0, iat= 200, 250, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 14 PRO HA 17 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 217, 259, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 PRO HA 17 ALA QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 263, 264, 265,
&end
#
# 14 PRO HB2 15 LEU H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 214, 221, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 PRO HB3 15 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 215, 221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 PRO HB3 15 LEU HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 215, 223, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 14 PRO HB3 18 MET QE 3.33
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 280, 281, 282,
&end
#
# 14 PRO HG2 15 LEU HG 5.15
&rst
ixpk= 0, nxpk= 0, iat= 211, 228, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 14 PRO HG3 15 LEU H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 212, 221, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 14 PRO QD 15 LEU H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 208, 209,
&end
#
# 15 LEU H 15 LEU HB2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 221, 225, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 15 LEU H 15 LEU HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 221, 226, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 15 LEU H 15 LEU HG 3.69
&rst
ixpk= 0, nxpk= 0, iat= 221, 228, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 15 LEU H 15 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 230, 231, 232,
&end
#
# 15 LEU H 16 ILE H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 15 LEU H 17 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 221, 259, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 15 LEU HA 15 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 230, 231, 232,
&end
#
# 15 LEU HA 18 MET QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 280, 281, 282,
&end
#
# 15 LEU HB2 15 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 230, 231, 232,
&end
#
# 15 LEU HB2 16 ILE H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 225, 240, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 15 LEU HB2 16 ILE QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 253, 254, 255,
&end
#
# 15 LEU HB3 15 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 230, 231, 232,
&end
#
# 15 LEU HB3 16 ILE H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 226, 240, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 15 LEU HG 18 MET QE 3.60
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 280, 281, 282,
&end
#
# 15 LEU QD1 18 MET HG3 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 230, 231, 232,
&end
#
# 15 LEU QD2 16 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 234, 235, 236,
igr2= 253, 254, 255,
&end
#
# 15 LEU QD2 18 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 234, 235, 236,
igr2= 280, 281, 282,
&end
#
# 16 ILE H 16 ILE HB 3.71
&rst
ixpk= 0, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 16 ILE H 16 ILE HG12 4.26
&rst
ixpk= 0, nxpk= 0, iat= 240, 250, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 16 ILE H 16 ILE HG13 4.48
&rst
ixpk= 0, nxpk= 0, iat= 240, 251, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 16 ILE H 16 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 253, 254, 255,
&end
#
# 16 ILE H 17 ALA H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 240, 259, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 16 ILE H 17 ALA HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 240, 261, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 16 ILE H 17 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 263, 264, 265,
&end
#
# 16 ILE HA 16 ILE HG13 4.11
&rst
ixpk= 0, nxpk= 0, iat= 242, 251, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 16 ILE HA 16 ILE QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 253, 254, 255,
&end
#
# 16 ILE HA 16 ILE QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 246, 247, 248,
&end
#
# 16 ILE HA 19 MET H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 242, 286, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 16 ILE HA 19 MET HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 291, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 ILE HA 19 MET HG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 242, 293, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 16 ILE HA 20 LEU H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 242, 303, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 16 ILE HB 16 ILE QD1 3.58
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 253, 254, 255,
&end
#
# 16 ILE HB 17 ALA H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 244, 259, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 16 ILE HG12 17 ALA H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 250, 259, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 16 ILE QD1 101 GLN HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 253, 254, 255,
&end
#
# 16 ILE QD1 102 LYS HG3 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 253, 254, 255,
&end
#
# 16 ILE QD1 103 PRO HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 253, 254, 255,
&end
#
# 16 ILE QD1 19 MET HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 253, 254, 255,
&end
#
# 16 ILE QD1 82 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 253, 254, 255,
igr2=1215,1216,1217,
&end
#
# 16 ILE QG2 100 LEU HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 100 LEU QD1 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 246, 247, 248,
igr2=1477,1478,1479,
&end
#
# 16 ILE QG2 101 GLN HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 16 ILE HG12 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 16 ILE HG13 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 16 ILE QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 246, 247, 248,
igr2= 253, 254, 255,
&end
#
# 16 ILE QG2 17 ALA H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 19 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 19 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 20 LEU H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 20 LEU HG 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 246, 247, 248,
&end
#
# 16 ILE QG2 20 LEU QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 246, 247, 248,
igr2= 312, 313, 314,
&end
#
# 16 ILE QG2 82 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 246, 247, 248,
igr2=1215,1216,1217,
&end
#
# 17 ALA H 17 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 263, 264, 265,
&end
#
# 17 ALA H 19 MET H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 259, 286, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 17 ALA H 20 LEU HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 259, 307, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 17 ALA HA 20 LEU H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 261, 303, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 17 ALA HA 20 LEU HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 261, 307, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 17 ALA HA 20 LEU HG 5.28
&rst
ixpk= 0, nxpk= 0, iat= 261, 310, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 17 ALA HA 20 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 312, 313, 314,
&end
#
# 17 ALA HA 34 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 529, 530, 531,
&end
#
# 17 ALA QB 18 MET H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 263, 264, 265,
&end
#
# 17 ALA QB 18 MET HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 263, 264, 265,
&end
#
# 17 ALA QB 18 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 263, 264, 265,
&end
#
# 17 ALA QB 18 MET QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 263, 264, 265,
igr2= 273, 274,
&end
#
# 17 ALA QB 18 MET QE 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 263, 264, 265,
igr2= 280, 281, 282,
&end
#
# 17 ALA QB 34 THR HB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 263, 264, 265,
&end
#
# 17 ALA QB 34 THR QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 263, 264, 265,
igr2= 529, 530, 531,
&end
#
# 18 MET H 18 MET HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 MET H 18 MET HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 18 MET H 18 MET HG3 4.26
&rst
ixpk= 0, nxpk= 0, iat= 269, 277, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 18 MET H 18 MET QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 273, 274,
&end
#
# 18 MET H 19 MET H 3.74
&rst
ixpk= 0, nxpk= 0, iat= 269, 286, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 18 MET H 20 LEU H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 269, 303, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 18 MET H 21 GLU H 4.87
&rst
ixpk= 0, nxpk= 0, iat= 269, 322, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 18 MET HA 18 MET HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 271, 276, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 18 MET HA 18 MET HG3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 271, 277, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 MET HA 18 MET QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 273, 274,
&end
#
# 18 MET HA 20 LEU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 271, 303, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 18 MET HA 21 GLU H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 271, 322, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 18 MET HA 21 GLU HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 271, 326, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 18 MET HA 21 GLU HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 271, 329, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 18 MET HA 21 GLU HG3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 271, 330, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 18 MET HA 22 ASP H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 271, 337, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 18 MET HG2 19 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 276, 288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 MET HG2 19 MET HG2 5.58
&rst
ixpk= 0, nxpk= 0, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 18 MET QB 19 MET H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 273, 274,
&end
#
# 19 MET H 19 MET HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 19 MET H 19 MET HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 286, 293, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 MET H 19 MET HG3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 286, 294, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 19 MET H 20 LEU H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 286, 303, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 19 MET HA 19 MET HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 19 MET HA 19 MET HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 288, 294, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 19 MET HA 19 MET QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 297, 298, 299,
&end
#
# 19 MET HA 22 ASP H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 288, 337, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 MET HA 22 ASP HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 288, 341, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 19 MET HA 22 ASP HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 288, 342, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 19 MET HB2 20 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 290, 303, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 19 MET HB2 20 LEU QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 312, 313, 314,
&end
#
# 19 MET HB3 20 LEU H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 291, 303, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 19 MET HG2 19 MET QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 297, 298, 299,
&end
#
# 19 MET HG2 20 LEU H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 293, 303, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 19 MET HG3 103 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294,1536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 MET QE 23 PHE QD 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 297, 298, 299,
igr2= 357, 365,
&end
#
# 19 MET QE 23 PHE QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 297, 298, 299,
igr2= 359, 363,
&end
#
# 20 LEU H 20 LEU HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 303, 307, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 20 LEU H 20 LEU HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 20 LEU H 20 LEU HG 3.74
&rst
ixpk= 0, nxpk= 0, iat= 303, 310, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 LEU H 20 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 312, 313, 314,
&end
#
# 20 LEU H 20 LEU QD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 316, 317, 318,
&end
#
# 20 LEU H 21 GLU H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 303, 322, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 20 LEU H 21 GLU HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 303, 326, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 20 LEU H 22 ASP H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 303, 337, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 20 LEU HA 109 VAL QG1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1616,1617,1618,
&end
#
# 20 LEU HA 20 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 312, 313, 314,
&end
#
# 20 LEU HA 20 LEU QD2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 316, 317, 318,
&end
#
# 20 LEU HA 23 PHE H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 305, 349, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 20 LEU HA 23 PHE HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 305, 353, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 20 LEU HA 23 PHE HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 305, 354, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 20 LEU HA 23 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 357, 365,
&end
#
# 20 LEU HA 54 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 796, 797, 798,
&end
#
# 20 LEU HB2 20 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 312, 313, 314,
&end
#
# 20 LEU HB2 20 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 316, 317, 318,
&end
#
# 20 LEU HB2 21 GLU H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 307, 322, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 20 LEU HB3 20 LEU QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 312, 313, 314,
&end
#
# 20 LEU HB3 20 LEU QD2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 316, 317, 318,
&end
#
# 20 LEU HB3 21 GLU H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 LEU HG 104 PHE QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1550,1554,
&end
#
# 20 LEU HG 21 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, 322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HG 54 ILE QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 796, 797, 798,
&end
#
# 20 LEU QD1 100 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 312, 313, 314,
igr2=1477,1478,1479,
&end
#
# 20 LEU QD1 104 PHE QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 312, 313, 314,
igr2=1550,1554,
&end
#
# 20 LEU QD1 21 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 312, 313, 314,
&end
#
# 20 LEU QD2 100 LEU QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 316, 317, 318,
igr2=1477,1478,1479,
&end
#
# 20 LEU QD2 100 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 316, 317, 318,
igr2=1481,1482,1483,
&end
#
# 20 LEU QD2 104 PHE QE 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 316, 317, 318,
igr2=1550,1554,
&end
#
# 20 LEU QD2 109 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 316, 317, 318,
&end
#
# 20 LEU QD2 109 VAL QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 316, 317, 318,
igr2=1616,1617,1618,
&end
#
# 20 LEU QD2 21 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 316, 317, 318,
&end
#
# 20 LEU QD2 23 PHE QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 316, 317, 318,
igr2= 357, 365,
&end
#
# 20 LEU QD2 23 PHE QE 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 316, 317, 318,
igr2= 359, 363,
&end
#
# 20 LEU QD2 54 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 316, 317, 318,
&end
#
# 21 GLU H 21 GLU HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 21 GLU H 21 GLU HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 GLU H 21 GLU HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 322, 329, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 21 GLU H 21 GLU HG3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 322, 330, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 21 GLU H 22 ASP H 3.71
&rst
ixpk= 0, nxpk= 0, iat= 322, 337, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 21 GLU HA 21 GLU HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 324, 330, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 21 GLU HA 24 LEU H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 324, 369, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 21 GLU HA 24 LEU HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 324, 373, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 21 GLU HA 24 LEU HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 324, 374, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 21 GLU HA 24 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 378, 379, 380,
&end
#
# 21 GLU HB2 22 ASP H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 326, 337, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 21 GLU HB3 22 ASP H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 21 GLU HG2 22 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 329, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASP H 22 ASP HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 22 ASP H 22 ASP HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 22 ASP H 23 PHE H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 337, 349, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 22 ASP HA 23 PHE HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 339, 351, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 22 ASP HA 25 GLU H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 339, 388, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 22 ASP HA 26 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 409, 410, 411,
&end
#
# 22 ASP HB2 23 PHE H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 341, 349, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 22 ASP HB3 23 PHE H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 22 ASP HB3 23 PHE QD 5.29
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 357, 365,
&end
#
# 23 PHE H 23 PHE HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 349, 353, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 23 PHE H 23 PHE HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 349, 354, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 23 PHE H 23 PHE QD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 357, 365,
&end
#
# 23 PHE H 24 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 349, 369, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 PHE HA 109 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1620,1621,1622,
&end
#
# 23 PHE HA 23 PHE QD 2.97
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 357, 365,
&end
#
# 23 PHE HA 26 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 351, 403, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 23 PHE HA 26 VAL HB 3.95
&rst
ixpk= 0, nxpk= 0, iat= 351, 407, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 23 PHE HA 26 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 409, 410, 411,
&end
#
# 23 PHE HA 26 VAL QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 413, 414, 415,
&end
#
# 23 PHE HA 27 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 428, 429, 430,
&end
#
# 23 PHE HB2 109 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1616,1617,1618,
&end
#
# 23 PHE HB2 109 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1620,1621,1622,
&end
#
# 23 PHE HB2 24 LEU H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 353, 369, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 23 PHE HB3 109 VAL QG1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1616,1617,1618,
&end
#
# 23 PHE HB3 109 VAL QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1620,1621,1622,
&end
#
# 23 PHE HB3 24 LEU H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 354, 369, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 PHE QD 106 MET HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 357, 365,
&end
#
# 23 PHE QD 106 MET QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 357, 365,
igr2=1585,1586,1587,
&end
#
# 23 PHE QD 109 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 357, 365,
&end
#
# 23 PHE QD 109 VAL HB 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 357, 365,
&end
#
# 23 PHE QD 109 VAL QG1 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 357, 365,
igr2=1616,1617,1618,
&end
#
# 23 PHE QD 109 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 357, 365,
igr2=1620,1621,1622,
&end
#
# 23 PHE QD 26 VAL HB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 357, 365,
&end
#
# 23 PHE QD 26 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 357, 365,
igr2= 409, 410, 411,
&end
#
# 23 PHE QE 105 THR HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 359, 363,
&end
#
# 23 PHE QE 106 MET H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 359, 363,
&end
#
# 23 PHE QE 106 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 359, 363,
&end
#
# 23 PHE QE 106 MET HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 359, 363,
&end
#
# 23 PHE QE 106 MET QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 359, 363,
igr2=1585,1586,1587,
&end
#
# 23 PHE QE 109 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 359, 363,
igr2=1616,1617,1618,
&end
#
# 24 LEU H 24 LEU HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 24 LEU H 24 LEU HG 4.33
&rst
ixpk= 0, nxpk= 0, iat= 369, 376, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 24 LEU H 24 LEU QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 378, 379, 380,
&end
#
# 24 LEU H 24 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 382, 383, 384,
&end
#
# 24 LEU H 25 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 388, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 LEU HA 24 LEU QD2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 382, 383, 384,
&end
#
# 24 LEU HA 27 LEU HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 371, 423, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 24 LEU HA 27 LEU HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 371, 424, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 24 LEU HA 29 LYS HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 371, 455, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 24 LEU HB2 24 LEU QD1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 378, 379, 380,
&end
#
# 24 LEU HB2 24 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 382, 383, 384,
&end
#
# 24 LEU HB2 25 GLU H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 24 LEU HB3 24 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 378, 379, 380,
&end
#
# 24 LEU HB3 25 GLU H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 374, 388, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 24 LEU HB3 29 LYS HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 374, 455, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 24 LEU HG 25 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 376, 388, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 24 LEU QD1 31 PRO HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 378, 379, 380,
&end
#
# 24 LEU QD1 31 PRO HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 378, 379, 380,
&end
#
# 24 LEU QD1 31 PRO HG3 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 378, 379, 380,
&end
#
# 24 LEU QD2 25 GLU H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 382, 383, 384,
&end
#
# 24 LEU QD2 29 LYS HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 382, 383, 384,
&end
#
# 24 LEU QD2 29 LYS HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 382, 383, 384,
&end
#
# 24 LEU QD2 29 LYS HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 382, 383, 384,
&end
#
# 24 LEU QD2 29 LYS HG3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 382, 383, 384,
&end
#
# 24 LEU QD2 31 PRO HD3 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 382, 383, 384,
&end
#
# 25 GLU H 25 GLU HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 25 GLU H 25 GLU HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 25 GLU H 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 409, 410, 411,
&end
#
# 25 GLU HA 26 VAL HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 390, 405, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 25 GLU HA 29 LYS H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 390, 450, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 25 GLU HA 31 PRO HD2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 390, 487, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 25 GLU HB2 26 VAL QG1 5.60
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 409, 410, 411,
&end
#
# 25 GLU HB2 31 PRO HD2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 392, 487, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 25 GLU HB2 31 PRO HD3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 392, 488, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 25 GLU HB2 31 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 392, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLU HB3 29 LYS H 5.79
&rst
ixpk= 0, nxpk= 0, iat= 393, 450, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 25 GLU HB3 31 PRO HD3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 393, 488, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 26 VAL H 26 VAL HB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 403, 407, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 26 VAL H 26 VAL QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 409, 410, 411,
&end
#
# 26 VAL H 26 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 413, 414, 415,
&end
#
# 26 VAL H 27 LEU H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 403, 419, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 26 VAL HA 26 VAL QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 409, 410, 411,
&end
#
# 26 VAL HA 26 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 413, 414, 415,
&end
#
# 26 VAL HA 27 LEU HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 405, 421, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 26 VAL HA 28 ASP H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 405, 438, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 26 VAL HB 27 LEU H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 407, 419, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 26 VAL HB 27 LEU QD2 5.70
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 432, 433, 434,
&end
#
# 26 VAL QG1 106 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 409, 410, 411,
&end
#
# 26 VAL QG1 106 MET QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 409, 410, 411,
igr2=1585,1586,1587,
&end
#
# 26 VAL QG1 27 LEU H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 409, 410, 411,
&end
#
# 26 VAL QG1 27 LEU HG 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 409, 410, 411,
&end
#
# 26 VAL QG1 27 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 409, 410, 411,
igr2= 428, 429, 430,
&end
#
# 26 VAL QG2 106 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 413, 414, 415,
&end
#
# 26 VAL QG2 27 LEU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 413, 414, 415,
&end
#
# 26 VAL QG2 27 LEU HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 413, 414, 415,
&end
#
# 26 VAL QG2 27 LEU HG 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 413, 414, 415,
&end
#
# 27 LEU H 27 LEU HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 27 LEU H 27 LEU HG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 27 LEU H 27 LEU QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 428, 429, 430,
&end
#
# 27 LEU H 27 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 432, 433, 434,
&end
#
# 27 LEU H 28 ASP H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 27 LEU H 28 ASP HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 419, 440, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 27 LEU H 29 LYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 419, 450, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 27 LEU HA 27 LEU HG 4.23
&rst
ixpk= 0, nxpk= 0, iat= 421, 426, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 27 LEU HA 27 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 428, 429, 430,
&end
#
# 27 LEU HA 27 LEU QD2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 432, 433, 434,
&end
#
# 27 LEU HA 28 ASP HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 421, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 27 LEU HA 28 ASP HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 27 LEU HB2 28 ASP H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 423, 438, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 27 LEU HB3 27 LEU QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 428, 429, 430,
&end
#
# 27 LEU HB3 27 LEU QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 432, 433, 434,
&end
#
# 27 LEU HB3 28 ASP H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 424, 438, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 27 LEU QD1 106 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 428, 429, 430,
&end
#
# 27 LEU QD1 106 MET QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 428, 429, 430,
igr2=1585,1586,1587,
&end
#
# 27 LEU QD1 110 ALA H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 428, 429, 430,
&end
#
# 27 LEU QD1 110 ALA HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 428, 429, 430,
&end
#
# 27 LEU QD2 106 MET HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 432, 433, 434,
&end
#
# 27 LEU QD2 110 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 432, 433, 434,
&end
#
# 27 LEU QD2 110 ALA HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 432, 433, 434,
&end
#
# 27 LEU QD2 28 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 432, 433, 434,
&end
#
# 28 ASP H 28 ASP HA 2.94
&rst
ixpk= 0, nxpk= 0, iat= 438, 440, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 28 ASP H 29 LYS H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 438, 450, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 28 ASP HA 29 LYS H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 440, 450, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 28 ASP HB2 29 LYS H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 442, 450, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 28 ASP HB3 29 LYS H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 443, 450, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 28 ASP HB3 29 LYS HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 29 LYS H 29 LYS HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 29 LYS H 29 LYS HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 450, 457, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 29 LYS H 29 LYS HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 450, 458, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 29 LYS HB2 30 THR H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 454, 472, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 29 LYS HB2 30 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 454, 474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 LYS HB3 30 THR H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 455, 472, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 29 LYS HB3 31 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 455, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 THR H 30 THR HB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 30 THR H 31 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 THR HA 30 THR QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 478, 479, 480,
&end
#
# 30 THR HA 31 PRO HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 474, 496, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 30 THR HA 31 PRO HD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 474, 487, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 30 THR HA 31 PRO HD3 3.35
&rst
ixpk= 0, nxpk= 0, iat= 474, 488, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 30 THR HA 31 PRO HG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 474, 490, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 30 THR HA 31 PRO HG3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 30 THR HA 32 VAL H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 474, 500, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 30 THR HB 32 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 506, 507, 508,
&end
#
# 30 THR HB 32 VAL QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 510, 511, 512,
&end
#
# 31 PRO HA 32 VAL H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 31 PRO HA 32 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 506, 507, 508,
&end
#
# 31 PRO HA 32 VAL QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 510, 511, 512,
&end
#
# 32 VAL H 32 VAL QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 506, 507, 508,
&end
#
# 32 VAL H 32 VAL QG2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 510, 511, 512,
&end
#
# 32 VAL H 33 GLY H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 500, 516, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 32 VAL HA 32 VAL QG1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 506, 507, 508,
&end
#
# 32 VAL HA 32 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 510, 511, 512,
&end
#
# 32 VAL QG1 50 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 506, 507, 508,
&end
#
# 32 VAL QG1 50 ILE QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 506, 507, 508,
igr2= 742, 743,
&end
#
# 32 VAL QG1 50 ILE QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 506, 507, 508,
igr2= 738, 739, 740,
&end
#
# 32 VAL QG2 33 GLY H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 510, 511, 512,
&end
#
# 32 VAL QG2 33 GLY HA2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 510, 511, 512,
&end
#
# 32 VAL QG2 33 GLY HA3 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 510, 511, 512,
&end
#
# 32 VAL QG2 50 ILE QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 510, 511, 512,
igr2= 742, 743,
&end
#
# 33 GLY H 34 THR H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 516, 523, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 33 GLY HA2 34 THR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 518, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 GLY HA3 34 THR H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 34 THR H 34 THR HB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 523, 527, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 34 THR H 34 THR QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 529, 530, 531,
&end
#
# 34 THR H 35 VAL H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 523, 537, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 34 THR H 35 VAL QG1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 543, 544, 545,
&end
#
# 34 THR HA 34 THR QG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 529, 530, 531,
&end
#
# 34 THR HA 35 VAL H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 525, 537, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 34 THR HA 35 VAL HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 525, 539, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 34 THR HA 35 VAL QG1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 543, 544, 545,
&end
#
# 34 THR HA 35 VAL QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 547, 548, 549,
&end
#
# 34 THR HB 35 VAL H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 527, 537, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 34 THR QG2 35 VAL H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 529, 530, 531,
&end
#
# 35 VAL H 35 VAL QG1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 543, 544, 545,
&end
#
# 35 VAL H 35 VAL QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 547, 548, 549,
&end
#
# 35 VAL H 36 ASP H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 537, 553, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 35 VAL HA 35 VAL QG1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 543, 544, 545,
&end
#
# 35 VAL HA 36 ASP H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 539, 553, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 35 VAL HA 36 ASP HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 539, 555, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 35 VAL HA 37 THR H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 539, 565, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 35 VAL HB 36 ASP H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 541, 553, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 35 VAL HB 37 THR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 541, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 VAL HB 40 GLY HA2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 541, 607, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 35 VAL HB 40 GLY HA3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 541, 608, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 35 VAL HB 41 ALA H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 541, 612, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 35 VAL HB 41 ALA HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= 541, 614, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 35 VAL HB 41 ALA QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 616, 617, 618,
&end
#
# 35 VAL QG1 37 THR H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 40 GLY HA2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 40 GLY HA3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 41 ALA HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 44 ARG H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 44 ARG HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 44 ARG HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 44 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 44 ARG HE 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 44 ARG HG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 44 ARG HG3 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG1 45 VAL H 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 543, 544, 545,
&end
#
# 35 VAL QG2 36 ASP H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 37 THR H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 40 GLY H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 40 GLY HA2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 40 GLY HA3 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 41 ALA H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 41 ALA HA 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 41 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 547, 548, 549,
igr2= 616, 617, 618,
&end
#
# 35 VAL QG2 44 ARG H 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 44 ARG HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 44 ARG HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 547, 548, 549,
&end
#
# 35 VAL QG2 44 ARG HG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 547, 548, 549,
&end
#
# 36 ASP H 36 ASP HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 36 ASP H 37 THR H 3.17
&rst
ixpk= 0, nxpk= 0, iat= 553, 565, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 36 ASP H 37 THR QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 571, 572, 573,
&end
#
# 36 ASP HA 59 LEU QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 872, 873, 874,
&end
#
# 36 ASP HB2 37 THR H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 557, 565, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 36 ASP HB2 37 THR QG2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 571, 572, 573,
&end
#
# 36 ASP HB2 60 ARG HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 557, 886, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 36 ASP HB2 60 ARG QD 2.86
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 892, 893,
&end
#
# 36 ASP HB3 37 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 571, 572, 573,
&end
#
# 37 THR H 37 THR QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 571, 572, 573,
&end
#
# 37 THR H 38 VAL H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 565, 579, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 37 THR H 40 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 565, 605, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 37 THR H 40 GLY HA3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 565, 608, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 37 THR H 41 ALA H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 565, 612, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 37 THR H 59 LEU QD2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 876, 877, 878,
&end
#
# 37 THR HA 37 THR HB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 567, 569, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 37 THR HA 37 THR QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 571, 572, 573,
&end
#
# 37 THR HA 38 VAL H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 567, 579, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 37 THR HA 38 VAL HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 567, 581, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 37 THR HA 38 VAL HB 5.62
&rst
ixpk= 0, nxpk= 0, iat= 567, 583, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 37 THR HA 38 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 585, 586, 587,
&end
#
# 37 THR HA 39 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 567, 595, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 37 THR HA 39 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 599, 600, 601,
&end
#
# 37 THR HA 59 LEU HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 567, 867, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 37 THR HA 59 LEU HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 567, 868, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 37 THR HA 59 LEU QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 872, 873, 874,
&end
#
# 37 THR HA 59 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 876, 877, 878,
&end
#
# 37 THR HB 38 VAL H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 569, 579, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 37 THR HB 38 VAL HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 569, 581, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 37 THR HB 38 VAL QG1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 585, 586, 587,
&end
#
# 37 THR HB 39 ALA H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 569, 595, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 37 THR HB 39 ALA QB 4.34
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 599, 600, 601,
&end
#
# 37 THR HB 40 GLY H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 569, 605, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 37 THR HB 41 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 569, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 THR HB 59 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 876, 877, 878,
&end
#
# 37 THR QG2 38 VAL H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 571, 572, 573,
&end
#
# 37 THR QG2 59 LEU HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 571, 572, 573,
&end
#
# 37 THR QG2 59 LEU QD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 571, 572, 573,
igr2= 876, 877, 878,
&end
#
# 37 THR QG2 60 ARG HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 571, 572, 573,
&end
#
# 37 THR QG2 60 ARG HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 571, 572, 573,
&end
#
# 37 THR QG2 60 ARG HG3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 571, 572, 573,
&end
#
# 37 THR QG2 60 ARG QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 571, 572, 573,
igr2= 892, 893,
&end
#
# 38 VAL H 38 VAL HB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 579, 583, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 38 VAL H 38 VAL QG1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 585, 586, 587,
&end
#
# 38 VAL H 38 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 589, 590, 591,
&end
#
# 38 VAL H 39 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 599, 600, 601,
&end
#
# 38 VAL H 40 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 579, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL H 59 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 579, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL H 59 LEU QD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 876, 877, 878,
&end
#
# 38 VAL HA 38 VAL QG1 3.23
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 585, 586, 587,
&end
#
# 38 VAL HA 38 VAL QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 589, 590, 591,
&end
#
# 38 VAL HA 39 ALA HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 581, 597, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 38 VAL HA 40 GLY H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 581, 605, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 38 VAL HA 41 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 581, 612, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 38 VAL HA 41 ALA QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 616, 617, 618,
&end
#
# 38 VAL HA 42 LEU H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 581, 622, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 38 VAL HA 42 LEU HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 581, 626, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 38 VAL HA 59 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 876, 877, 878,
&end
#
# 38 VAL HB 39 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 38 VAL HB 39 ALA QB 5.48
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 599, 600, 601,
&end
#
# 38 VAL QG1 39 ALA H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 585, 586, 587,
&end
#
# 38 VAL QG1 59 LEU QD2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 585, 586, 587,
igr2= 876, 877, 878,
&end
#
# 38 VAL QG1 65 SER HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 585, 586, 587,
&end
#
# 38 VAL QG1 67 PRO HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 585, 586, 587,
&end
#
# 38 VAL QG1 67 PRO HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 585, 586, 587,
&end
#
# 38 VAL QG1 67 PRO HD2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 585, 586, 587,
&end
#
# 38 VAL QG1 67 PRO HD3 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 585, 586, 587,
&end
#
# 38 VAL QG1 67 PRO QG 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 585, 586, 587,
igr2= 986, 987,
&end
#
# 38 VAL QG2 39 ALA H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 39 ALA HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 39 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 589, 590, 591,
igr2= 599, 600, 601,
&end
#
# 38 VAL QG2 40 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 42 LEU HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 67 PRO HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 67 PRO HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 67 PRO HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 67 PRO HD2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 67 PRO HD3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 589, 590, 591,
&end
#
# 38 VAL QG2 67 PRO QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 589, 590, 591,
igr2= 986, 987,
&end
#
# 38 VAL QG2 68 VAL H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 589, 590, 591,
&end
#
# 39 ALA H 39 ALA QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 599, 600, 601,
&end
#
# 39 ALA H 40 GLY H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 595, 605, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 39 ALA H 40 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, 607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ALA H 40 GLY HA3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 595, 608, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 39 ALA HA 42 LEU HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 597, 626, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 39 ALA HA 42 LEU HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 597, 627, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 39 ALA HA 42 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 631, 632, 633,
&end
#
# 39 ALA HA 43 ALA H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 597, 641, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 ALA HA 43 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 645, 646, 647,
&end
#
# 39 ALA QB 40 GLY H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 599, 600, 601,
&end
#
# 39 ALA QB 40 GLY HA3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 599, 600, 601,
&end
#
# 39 ALA QB 43 ALA H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 599, 600, 601,
&end
#
# 40 GLY H 41 ALA H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 40 GLY H 41 ALA QB 5.46
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 616, 617, 618,
&end
#
# 40 GLY H 42 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 605, 622, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 40 GLY H 43 ALA H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 605, 641, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 40 GLY HA2 43 ALA H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 607, 641, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 40 GLY HA2 43 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 645, 646, 647,
&end
#
# 40 GLY HA3 43 ALA H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 608, 641, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 40 GLY HA3 43 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 645, 646, 647,
&end
#
# 41 ALA H 41 ALA QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 616, 617, 618,
&end
#
# 41 ALA H 42 LEU H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 612, 622, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 41 ALA H 42 LEU HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 612, 626, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 41 ALA H 43 ALA H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 612, 641, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 41 ALA H 68 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1002,1003,1004,
&end
#
# 41 ALA HA 42 LEU HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 614, 624, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 41 ALA HA 44 ARG H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 614, 651, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 ALA HA 44 ARG HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 614, 655, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 41 ALA HA 44 ARG HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 614, 656, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 41 ALA HA 45 VAL H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 614, 675, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 41 ALA HA 45 VAL QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 681, 682, 683,
&end
#
# 41 ALA HA 68 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1002,1003,1004,
&end
#
# 41 ALA QB 42 LEU H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 616, 617, 618,
&end
#
# 41 ALA QB 42 LEU HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 616, 617, 618,
&end
#
# 41 ALA QB 42 LEU HG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 616, 617, 618,
&end
#
# 41 ALA QB 43 ALA H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 616, 617, 618,
&end
#
# 41 ALA QB 67 PRO QG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 616, 617, 618,
igr2= 986, 987,
&end
#
# 41 ALA QB 68 VAL HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 616, 617, 618,
&end
#
# 41 ALA QB 68 VAL QG1 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 616, 617, 618,
igr2=1002,1003,1004,
&end
#
# 41 ALA QB 68 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 616, 617, 618,
igr2=1006,1007,1008,
&end
#
# 42 LEU H 42 LEU HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 LEU H 42 LEU HG 3.78
&rst
ixpk= 0, nxpk= 0, iat= 622, 629, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 42 LEU H 42 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 631, 632, 633,
&end
#
# 42 LEU H 42 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 635, 636, 637,
&end
#
# 42 LEU H 43 ALA H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 622, 641, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 42 LEU H 43 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 645, 646, 647,
&end
#
# 42 LEU H 44 ARG H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 622, 651, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 42 LEU H 44 ARG HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 622, 655, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 42 LEU H 68 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1002,1003,1004,
&end
#
# 42 LEU HA 42 LEU HG 3.62
&rst
ixpk= 0, nxpk= 0, iat= 624, 629, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 42 LEU HA 42 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 631, 632, 633,
&end
#
# 42 LEU HA 42 LEU QD2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 635, 636, 637,
&end
#
# 42 LEU HA 43 ALA HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 624, 643, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 42 LEU HA 44 ARG H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 624, 651, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 42 LEU HA 45 VAL H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 624, 675, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 42 LEU HA 45 VAL HB 4.30
&rst
ixpk= 0, nxpk= 0, iat= 624, 679, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 42 LEU HA 45 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 681, 682, 683,
&end
#
# 42 LEU HA 68 VAL HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 624, 998, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 42 LEU HA 68 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1002,1003,1004,
&end
#
# 42 LEU HA 68 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1006,1007,1008,
&end
#
# 42 LEU HB2 42 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 631, 632, 633,
&end
#
# 42 LEU HB2 43 ALA H 3.38
&rst
ixpk= 0, nxpk= 0, iat= 626, 641, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 42 LEU HB3 42 LEU QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 631, 632, 633,
&end
#
# 42 LEU HB3 42 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 635, 636, 637,
&end
#
# 42 LEU HB3 43 ALA H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 627, 641, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 42 LEU HG 67 PRO QG 4.94
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 986, 987,
&end
#
# 42 LEU HG 68 VAL HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= 629, 998, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 42 LEU HG 68 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1002,1003,1004,
&end
#
# 42 LEU QD1 43 ALA H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 631, 632, 633,
&end
#
# 42 LEU QD1 67 PRO HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 631, 632, 633,
&end
#
# 42 LEU QD1 68 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 631, 632, 633,
&end
#
# 42 LEU QD1 68 VAL HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 631, 632, 633,
&end
#
# 42 LEU QD2 43 ALA H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 635, 636, 637,
&end
#
# 42 LEU QD2 67 PRO HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 635, 636, 637,
&end
#
# 42 LEU QD2 67 PRO HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 635, 636, 637,
&end
#
# 42 LEU QD2 68 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 635, 636, 637,
&end
#
# 42 LEU QD2 68 VAL HA 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 635, 636, 637,
&end
#
# 42 LEU QD2 68 VAL QG1 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 635, 636, 637,
igr2=1002,1003,1004,
&end
#
# 42 LEU QD2 71 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 635, 636, 637,
&end
#
# 42 LEU QD2 71 ALA QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 635, 636, 637,
igr2=1041,1042,1043,
&end
#
# 43 ALA H 43 ALA QB 2.80
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 645, 646, 647,
&end
#
# 43 ALA H 45 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 641, 675, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 43 ALA H 46 GLU QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 695, 696,
&end
#
# 43 ALA H 68 VAL QG1 5.85
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1002,1003,1004,
&end
#
# 43 ALA HA 46 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 643, 691, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 43 ALA HA 46 GLU HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 643, 698, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 43 ALA HA 46 GLU HG3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 643, 699, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 43 ALA HA 46 GLU QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 695, 696,
&end
#
# 43 ALA QB 44 ARG H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 645, 646, 647,
&end
#
# 43 ALA QB 44 ARG HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 645, 646, 647,
&end
#
# 43 ALA QB 44 ARG HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 645, 646, 647,
&end
#
# 43 ALA QB 44 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 645, 646, 647,
&end
#
# 43 ALA QB 44 ARG HG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 645, 646, 647,
&end
#
# 43 ALA QB 45 VAL H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 645, 646, 647,
&end
#
# 44 ARG H 44 ARG HB2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 651, 655, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 44 ARG H 44 ARG HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 44 ARG H 44 ARG HD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 44 ARG H 44 ARG HD3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 651, 662, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 44 ARG H 44 ARG HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 651, 658, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 44 ARG H 45 VAL H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 651, 675, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 44 ARG H 45 VAL HB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 651, 679, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 44 ARG H 45 VAL QG1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 681, 682, 683,
&end
#
# 44 ARG HA 44 ARG HD2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 653, 661, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 44 ARG HA 44 ARG HD3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 653, 662, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 44 ARG HA 44 ARG HE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 653, 664, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 44 ARG HA 44 ARG HG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 653, 658, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 44 ARG HA 47 ASP H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 653, 706, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 44 ARG HA 47 ASP QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 710, 711,
&end
#
# 44 ARG HA 48 GLY H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 653, 718, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 44 ARG HB2 45 VAL H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 655, 675, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 44 ARG HB3 45 VAL H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 656, 675, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 44 ARG HD2 47 ASP QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 710, 711,
&end
#
# 44 ARG HD3 47 ASP QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 710, 711,
&end
#
# 44 ARG HG3 45 VAL H 5.47
&rst
ixpk= 0, nxpk= 0, iat= 659, 675, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 45 VAL H 45 VAL HB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 675, 679, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 45 VAL H 45 VAL QG1 3.31
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 681, 682, 683,
&end
#
# 45 VAL H 45 VAL QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 685, 686, 687,
&end
#
# 45 VAL H 46 GLU H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 675, 691, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 45 VAL H 47 ASP H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 675, 706, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 45 VAL H 50 ILE QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 745, 746, 747,
&end
#
# 45 VAL HA 45 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 681, 682, 683,
&end
#
# 45 VAL HA 45 VAL QG2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 685, 686, 687,
&end
#
# 45 VAL HA 47 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 677, 706, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 45 VAL HA 48 GLY H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 677, 718, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 45 VAL HA 50 ILE QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 745, 746, 747,
&end
#
# 45 VAL HB 46 GLU H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 679, 691, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 45 VAL HB 75 ARG HD3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 679,1097, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 45 VAL QG1 68 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 681, 682, 683,
igr2=1006,1007,1008,
&end
#
# 45 VAL QG1 72 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 681, 682, 683,
&end
#
# 45 VAL QG1 72 LEU HG 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 681, 682, 683,
&end
#
# 45 VAL QG1 72 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 681, 682, 683,
igr2=1060,1061,1062,
&end
#
# 45 VAL QG2 46 GLU H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 46 GLU HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 71 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 685, 686, 687,
igr2=1041,1042,1043,
&end
#
# 45 VAL QG2 72 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 72 LEU HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 72 LEU HG 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 72 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 685, 686, 687,
igr2=1056,1057,1058,
&end
#
# 45 VAL QG2 75 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 75 ARG HD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 75 ARG HD3 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 77 ILE HG13 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG2 77 ILE QD1 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 685, 686, 687,
igr2=1135,1136,1137,
&end
#
# 46 GLU H 46 GLU HG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 691, 698, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 46 GLU H 46 GLU HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 691, 699, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 46 GLU H 46 GLU QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 695, 696,
&end
#
# 46 GLU H 47 ASP H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 691, 706, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 46 GLU HA 46 GLU HG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 693, 698, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 GLU HA 46 GLU HG3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 693, 699, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 46 GLU HA 46 GLU QB 2.82
&rst
ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 695, 696,
&end
#
# 46 GLU HG3 47 ASP H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 699, 706, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 46 GLU QB 46 GLU HG3 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 695, 696,
&end
#
# 46 GLU QB 47 ASP H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 695, 696,
&end
#
# 46 GLU QB 47 ASP HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 695, 696,
&end
#
# 46 GLU QB 47 ASP QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 695, 696,
igr2= 710, 711,
&end
#
# 47 ASP H 47 ASP QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 710, 711,
&end
#
# 47 ASP H 48 GLY H 3.32
&rst
ixpk= 0, nxpk= 0, iat= 706, 718, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 47 ASP HA 47 ASP QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 710, 711,
&end
#
# 47 ASP QB 48 GLY H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 710, 711,
&end
#
# 48 GLY H 49 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 718, 725, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 48 GLY H 50 ILE H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 718, 732, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 48 GLY H 50 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 745, 746, 747,
&end
#
# 48 GLY HA2 49 GLY H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 720, 725, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 48 GLY HA2 50 ILE H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 720, 732, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 48 GLY HA2 50 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 745, 746, 747,
&end
#
# 48 GLY HA3 50 ILE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 721, 732, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 48 GLY HA3 50 ILE QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 745, 746, 747,
&end
#
# 49 GLY H 50 ILE H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 725, 732, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 49 GLY H 50 ILE HB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 725, 736, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 50 ILE H 50 ILE HB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 732, 736, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 50 ILE H 50 ILE QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 745, 746, 747,
&end
#
# 50 ILE H 50 ILE QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 742, 743,
&end
#
# 50 ILE H 50 ILE QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 738, 739, 740,
&end
#
# 50 ILE H 51 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ILE HA 50 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 745, 746, 747,
&end
#
# 50 ILE HA 50 ILE QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 738, 739, 740,
&end
#
# 50 ILE HA 51 ASP H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 734, 751, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 50 ILE HA 52 ALA H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 734, 763, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 50 ILE HB 50 ILE QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 745, 746, 747,
&end
#
# 50 ILE HB 52 ALA H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 736, 763, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 50 ILE QD1 53 ALA QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 745, 746, 747,
igr2= 777, 778, 779,
&end
#
# 50 ILE QG2 50 ILE QG1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 738, 739, 740,
igr2= 742, 743,
&end
#
# 50 ILE QG2 51 ASP H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 738, 739, 740,
&end
#
# 50 ILE QG2 52 ALA H 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 738, 739, 740,
&end
#
# 50 ILE QG2 52 ALA HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 738, 739, 740,
&end
#
# 50 ILE QG2 52 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 738, 739, 740,
igr2= 767, 768, 769,
&end
#
# 50 ILE QG2 53 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 738, 739, 740,
&end
#
# 50 ILE QG2 53 ALA HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 738, 739, 740,
&end
#
# 50 ILE QG2 53 ALA QB 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 738, 739, 740,
igr2= 777, 778, 779,
&end
#
# 51 ASP H 51 ASP HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 51 ASP H 51 ASP HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 751, 756, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 51 ASP H 52 ALA H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 751, 763, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 51 ASP H 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 767, 768, 769,
&end
#
# 51 ASP HA 77 ILE QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1128,1129,1130,
&end
#
# 51 ASP HB2 52 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 755, 763, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 51 ASP HB2 52 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 755, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ASP HB2 52 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 767, 768, 769,
&end
#
# 51 ASP HB2 77 ILE QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1128,1129,1130,
&end
#
# 51 ASP HB3 52 ALA H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 756, 763, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 51 ASP HB3 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 767, 768, 769,
&end
#
# 52 ALA H 52 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 767, 768, 769,
&end
#
# 52 ALA H 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 777, 778, 779,
&end
#
# 52 ALA HA 53 ALA H 3.15
&rst
ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 52 ALA HA 53 ALA HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 765, 775, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 52 ALA HA 53 ALA QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 777, 778, 779,
&end
#
# 52 ALA HA 77 ILE HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 765,1124, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 52 ALA HA 77 ILE QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1128,1129,1130,
&end
#
# 52 ALA HA 78 PRO HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 765,1142, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 52 ALA HA 78 PRO HD3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 765,1143, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 52 ALA HA 79 PHE HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 765,1157, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 52 ALA QB 113 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 767, 768, 769,
igr2=1677,1678,1679,
&end
#
# 52 ALA QB 113 LEU QD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 767, 768, 769,
igr2=1681,1682,1683,
&end
#
# 52 ALA QB 53 ALA H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 767, 768, 769,
&end
#
# 52 ALA QB 53 ALA HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 767, 768, 769,
&end
#
# 52 ALA QB 77 ILE QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 767, 768, 769,
igr2=1128,1129,1130,
&end
#
# 52 ALA QB 78 PRO HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 767, 768, 769,
&end
#
# 52 ALA QB 78 PRO HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 767, 768, 769,
&end
#
# 52 ALA QB 78 PRO HD3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 767, 768, 769,
&end
#
# 52 ALA QB 79 PHE HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 767, 768, 769,
&end
#
# 53 ALA H 53 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 777, 778, 779,
&end
#
# 53 ALA H 54 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 773, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ALA H 54 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 773, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ALA H 72 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1060,1061,1062,
&end
#
# 53 ALA H 79 PHE HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= 773,1157, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 53 ALA H 79 PHE HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 773,1159, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 53 ALA HA 54 ILE H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 775, 783, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 53 ALA HA 54 ILE HB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 775, 787, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 53 ALA HA 54 ILE HG13 4.80
&rst
ixpk= 0, nxpk= 0, iat= 775, 794, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 53 ALA HA 54 ILE QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 796, 797, 798,
&end
#
# 53 ALA QB 54 ILE H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 777, 778, 779,
&end
#
# 53 ALA QB 54 ILE HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 777, 778, 779,
&end
#
# 53 ALA QB 54 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 777, 778, 779,
igr2= 796, 797, 798,
&end
#
# 53 ALA QB 72 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 777, 778, 779,
&end
#
# 53 ALA QB 72 LEU QD1 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 777, 778, 779,
igr2=1056,1057,1058,
&end
#
# 53 ALA QB 72 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 777, 778, 779,
igr2=1060,1061,1062,
&end
#
# 53 ALA QB 79 PHE HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 777, 778, 779,
&end
#
# 53 ALA QB 80 VAL H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 777, 778, 779,
&end
#
# 54 ILE H 54 ILE HB 3.71
&rst
ixpk= 0, nxpk= 0, iat= 783, 787, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 54 ILE H 54 ILE HG12 5.05
&rst
ixpk= 0, nxpk= 0, iat= 783, 793, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 54 ILE H 54 ILE HG13 4.35
&rst
ixpk= 0, nxpk= 0, iat= 783, 794, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 54 ILE H 54 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 796, 797, 798,
&end
#
# 54 ILE H 54 ILE QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 789, 790, 791,
&end
#
# 54 ILE HA 54 ILE HG12 3.49
&rst
ixpk= 0, nxpk= 0, iat= 785, 793, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 54 ILE HA 54 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 796, 797, 798,
&end
#
# 54 ILE HA 54 ILE QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 789, 790, 791,
&end
#
# 54 ILE HA 55 LEU H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 785, 802, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 54 ILE HA 55 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 785, 807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ILE HA 79 PHE HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 785,1157, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 54 ILE HA 80 VAL H 3.49
&rst
ixpk= 0, nxpk= 0, iat= 785,1175, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 54 ILE HA 80 VAL HB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 785,1179, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 54 ILE HA 82 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 54 ILE HB 54 ILE QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 796, 797, 798,
&end
#
# 54 ILE HG12 80 VAL HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 793,1179, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 54 ILE QD1 80 VAL HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 796, 797, 798,
&end
#
# 54 ILE QD1 82 ALA QB 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 796, 797, 798,
igr2=1215,1216,1217,
&end
#
# 54 ILE QG2 54 ILE HG12 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 54 ILE HG13 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 55 LEU H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 55 LEU HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 80 VAL H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 80 VAL HB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 80 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 789, 790, 791,
igr2=1185,1186,1187,
&end
#
# 54 ILE QG2 81 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 82 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 82 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 789, 790, 791,
&end
#
# 54 ILE QG2 82 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 789, 790, 791,
igr2=1215,1216,1217,
&end
#
# 55 LEU H 55 LEU HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 802, 806, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 55 LEU H 55 LEU HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 802, 807, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 55 LEU H 55 LEU HG 5.16
&rst
ixpk= 0, nxpk= 0, iat= 802, 809, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 55 LEU H 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 815, 816, 817,
&end
#
# 55 LEU H 56 ASP H 5.44
&rst
ixpk= 0, nxpk= 0, iat= 802, 821, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 55 LEU H 80 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 802,1175, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 55 LEU H 80 VAL HB 5.35
&rst
ixpk= 0, nxpk= 0, iat= 802,1179, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 55 LEU H 80 VAL QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1181,1182,1183,
&end
#
# 55 LEU H 80 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1185,1186,1187,
&end
#
# 55 LEU H 80 VAL QQG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 55 LEU H 81 PHE HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= 802,1193, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 55 LEU H 81 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1199,1207,
&end
#
# 55 LEU H 82 ALA H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 802,1211, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 55 LEU HA 55 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 811, 812, 813,
&end
#
# 55 LEU HA 55 LEU QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 815, 816, 817,
&end
#
# 55 LEU HA 56 ASP H 3.10
&rst
ixpk= 0, nxpk= 0, iat= 804, 821, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 55 LEU HA 81 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 804,1193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HA 82 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 55 LEU HB2 55 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 815, 816, 817,
&end
#
# 55 LEU HB2 56 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 806, 821, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 55 LEU HB2 81 PHE HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 806,1193, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 LEU HB2 81 PHE QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1199,1207,
&end
#
# 55 LEU HB3 55 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 815, 816, 817,
&end
#
# 55 LEU HB3 56 ASP H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 807, 821, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 55 LEU HB3 68 VAL QG2 5.74
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1006,1007,1008,
&end
#
# 55 LEU HB3 81 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1199,1207,
&end
#
# 55 LEU QD1 56 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 811, 812, 813,
&end
#
# 55 LEU QD1 65 SER HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 811, 812, 813,
&end
#
# 55 LEU QD1 65 SER HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 811, 812, 813,
&end
#
# 55 LEU QD1 68 VAL HB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 811, 812, 813,
&end
#
# 55 LEU QD1 68 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 811, 812, 813,
igr2=1002,1003,1004,
&end
#
# 55 LEU QD1 69 ALA H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 811, 812, 813,
&end
#
# 55 LEU QD1 81 PHE QD 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 811, 812, 813,
igr2=1199,1207,
&end
#
# 55 LEU QD2 65 SER HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 815, 816, 817,
&end
#
# 55 LEU QD2 65 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 815, 816, 817,
&end
#
# 55 LEU QD2 68 VAL HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 815, 816, 817,
&end
#
# 55 LEU QD2 68 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 815, 816, 817,
igr2=1002,1003,1004,
&end
#
# 55 LEU QD2 68 VAL QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 815, 816, 817,
igr2=1006,1007,1008,
&end
#
# 55 LEU QD2 69 ALA H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 815, 816, 817,
&end
#
# 55 LEU QD2 69 ALA HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 815, 816, 817,
&end
#
# 55 LEU QD2 69 ALA QB 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 815, 816, 817,
igr2=1016,1017,1018,
&end
#
# 55 LEU QD2 81 PHE QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 815, 816, 817,
igr2=1199,1207,
&end
#
# 55 LEU QD2 81 PHE QE 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 815, 816, 817,
igr2=1201,1205,
&end
#
# 56 ASP H 56 ASP HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 821, 825, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 56 ASP H 56 ASP HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 821, 826, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 56 ASP H 59 LEU QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 872, 873, 874,
&end
#
# 56 ASP H 82 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 56 ASP HA 57 VAL H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 823, 833, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 56 ASP HA 57 VAL HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 823, 835, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 56 ASP HA 57 VAL HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 823, 837, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 56 ASP HA 57 VAL QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 843, 844, 845,
&end
#
# 56 ASP HA 58 ASN H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 823, 849, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 56 ASP HA 81 PHE HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 823,1193, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 56 ASP HA 82 ALA H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 823,1211, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 56 ASP HA 82 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1215,1216,1217,
&end
#
# 56 ASP HB2 57 VAL H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 825, 833, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 56 ASP HB2 58 ASN H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 825, 849, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 56 ASP HB2 59 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 872, 873, 874,
&end
#
# 56 ASP HB2 82 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1215,1216,1217,
&end
#
# 56 ASP HB3 57 VAL H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 826, 833, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 56 ASP HB3 58 ASN H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 826, 849, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 56 ASP HB3 59 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 872, 873, 874,
&end
#
# 56 ASP HB3 82 ALA QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1215,1216,1217,
&end
#
# 57 VAL H 57 VAL HB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 833, 837, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 57 VAL H 57 VAL QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 843, 844, 845,
&end
#
# 57 VAL H 58 ASN H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 833, 849, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 57 VAL H 82 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 833,1211, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 57 VAL H 82 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1215,1216,1217,
&end
#
# 57 VAL HA 57 VAL QG1 3.61
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 839, 840, 841,
&end
#
# 57 VAL HA 57 VAL QG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 843, 844, 845,
&end
#
# 57 VAL HA 59 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 872, 873, 874,
&end
#
# 57 VAL HA 66 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 974, 975, 976,
&end
#
# 57 VAL HA 81 PHE QD 4.01
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1199,1207,
&end
#
# 57 VAL HB 58 ASN H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 837, 849, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 57 VAL HB 89 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 837,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 VAL HB 90 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1305,1306,1307,
&end
#
# 57 VAL QG1 58 ASN H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 58 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 58 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 58 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 58 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 66 THR QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 839, 840, 841,
igr2= 974, 975, 976,
&end
#
# 57 VAL QG1 87 ASP HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 89 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 89 SER HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 89 SER QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 839, 840, 841,
igr2=1288,1289,
&end
#
# 57 VAL QG1 90 VAL H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 90 VAL HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 90 VAL HB 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 839, 840, 841,
&end
#
# 57 VAL QG1 90 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 839, 840, 841,
igr2=1305,1306,1307,
&end
#
# 57 VAL QG2 58 ASN H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 58 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 58 ASN HD22 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 83 THR HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 84 GLY H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 87 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 87 ASP HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 88 ASP HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 89 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 90 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 90 VAL HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 843, 844, 845,
&end
#
# 57 VAL QG2 90 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 843, 844, 845,
igr2=1301,1302,1303,
&end
#
# 57 VAL QG2 90 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 843, 844, 845,
igr2=1305,1306,1307,
&end
#
# 58 ASN H 58 ASN HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 849, 853, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 58 ASN H 58 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 849, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASN H 59 LEU H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 849, 863, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 58 ASN HA 58 ASN HD21 5.11
&rst
ixpk= 0, nxpk= 0, iat= 851, 859, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 58 ASN HA 59 LEU H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 851, 863, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 58 ASN HA 64 LYS HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 851, 937, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 58 ASN HA 65 SER H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 851, 957, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 ASN HB2 58 ASN HD21 4.01
&rst
ixpk= 0, nxpk= 0, iat= 853, 859, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 58 ASN HB2 62 GLY HA3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 853, 916, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 58 ASN HB3 59 LEU H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 854, 863, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 58 ASN HB3 62 GLY HA2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 854, 915, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 58 ASN HB3 62 GLY HA3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 854, 916, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 58 ASN HD22 87 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 858,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASN HD22 87 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 858,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LEU HA 59 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 872, 873, 874,
&end
#
# 59 LEU HA 59 LEU QD2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 876, 877, 878,
&end
#
# 59 LEU HB2 59 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 872, 873, 874,
&end
#
# 59 LEU HB2 59 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 876, 877, 878,
&end
#
# 59 LEU HB2 60 ARG H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 867, 882, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 59 LEU HB2 60 ARG HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 867, 886, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 59 LEU HB3 59 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 872, 873, 874,
&end
#
# 59 LEU HB3 59 LEU QD2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 876, 877, 878,
&end
#
# 59 LEU HB3 60 ARG H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 868, 882, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 59 LEU QD1 65 SER HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 872, 873, 874,
&end
#
# 59 LEU QD1 65 SER HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 872, 873, 874,
&end
#
# 59 LEU QD2 65 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 876, 877, 878,
&end
#
# 59 LEU QD2 65 SER HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 876, 877, 878,
&end
#
# 59 LEU QD2 65 SER HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 876, 877, 878,
&end
#
# 60 ARG H 60 ARG HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 60 ARG H 60 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ARG H 60 ARG HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 882, 890, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 60 ARG H 62 GLY H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 882, 913, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 60 ARG HA 60 ARG HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 884, 889, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 60 ARG HA 60 ARG HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 884, 890, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 60 ARG HA 60 ARG QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 892, 893,
&end
#
# 60 ARG HA 61 GLY H 3.10
&rst
ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 60 ARG HA 61 GLY HA3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 884, 909, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 60 ARG HA 62 GLY H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 884, 913, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 60 ARG HB2 60 ARG HE 5.32
&rst
ixpk= 0, nxpk= 0, iat= 886, 895, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 60 ARG HB2 60 ARG QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 892, 893,
&end
#
# 60 ARG HB2 61 GLY H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 886, 906, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 60 ARG HG2 61 GLY H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 889, 906, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 60 ARG HG3 61 GLY H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 890, 906, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 60 ARG QD 61 GLY H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 892, 893,
&end
#
# 61 GLY H 62 GLY H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 906, 913, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 61 GLY HA2 63 GLU H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 908, 920, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 62 GLY H 63 GLU H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 62 GLY H 63 GLU QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 924, 925,
&end
#
# 63 GLU H 63 GLU QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 924, 925,
&end
#
# 63 GLU H 63 GLU QG 4.99
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 927, 928,
&end
#
# 63 GLU HA 63 GLU QG 3.57
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 927, 928,
&end
#
# 63 GLU HA 64 LYS H 2.75
&rst
ixpk= 0, nxpk= 0, iat= 922, 935, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 63 GLU QB 64 LYS H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 924, 925,
&end
#
# 63 GLU QG 64 LYS H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 927, 928,
&end
#
# 63 GLU QG 64 LYS HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 927, 928,
&end
#
# 63 GLU QG 64 LYS HD3 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 927, 928,
&end
#
# 64 LYS H 64 LYS HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 935, 939, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 64 LYS H 64 LYS HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 935, 940, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 64 LYS H 64 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 935, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LYS H 64 LYS HG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 935, 942, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 LYS H 64 LYS HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 935, 943, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 64 LYS H 65 SER H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 935, 957, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 64 LYS HA 65 SER H 3.14
&rst
ixpk= 0, nxpk= 0, iat= 937, 957, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 64 LYS HB2 65 SER H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 939, 957, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 64 LYS HB3 64 LYS QE 5.45
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 948, 949,
&end
#
# 64 LYS HB3 65 SER H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 940, 957, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 64 LYS HB3 65 SER HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= 940, 959, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 64 LYS HG2 64 LYS QE 3.55
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 948, 949,
&end
#
# 64 LYS HG2 65 SER H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 942, 957, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 64 LYS HG2 65 SER HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 942, 959, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 64 LYS HG2 66 THR H 5.45
&rst
ixpk= 0, nxpk= 0, iat= 942, 968, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 65 SER H 65 SER HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 957, 961, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 65 SER H 65 SER HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 957, 962, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 65 SER H 65 SER HG 4.60
&rst
ixpk= 0, nxpk= 0, iat= 957, 964, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 65 SER H 66 THR H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 957, 968, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 65 SER HA 67 PRO HD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 959, 983, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 65 SER HA 67 PRO HD3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 959, 984, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 65 SER HA 67 PRO QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 986, 987,
&end
#
# 65 SER HB3 66 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 962, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 SER HB3 67 PRO QG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 986, 987,
&end
#
# 66 THR H 66 THR HB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 968, 972, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 66 THR H 66 THR QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 974, 975, 976,
&end
#
# 66 THR H 67 PRO HD2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 968, 983, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 66 THR H 67 PRO HD3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 968, 984, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 66 THR HA 66 THR QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 974, 975, 976,
&end
#
# 66 THR HA 67 PRO HD2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 970, 983, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 66 THR HA 67 PRO HD3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 970, 984, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 66 THR HA 67 PRO QG 4.82
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 986, 987,
&end
#
# 66 THR HB 67 PRO HD3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 972, 984, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 66 THR HB 68 VAL H 5.70
&rst
ixpk= 0, nxpk= 0, iat= 972, 996, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 66 THR HB 69 ALA H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 972,1012, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 66 THR HB 69 ALA QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1016,1017,1018,
&end
#
# 66 THR HB 70 GLU H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 972,1022, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 66 THR HB 81 PHE QE 4.58
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1201,1205,
&end
#
# 66 THR HB 94 PHE QE 5.35
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1368,1372,
&end
#
# 66 THR QG2 67 PRO HD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 974, 975, 976,
&end
#
# 66 THR QG2 67 PRO HD3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 974, 975, 976,
&end
#
# 66 THR QG2 69 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 974, 975, 976,
&end
#
# 66 THR QG2 69 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 974, 975, 976,
igr2=1016,1017,1018,
&end
#
# 66 THR QG2 70 GLU H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 974, 975, 976,
&end
#
# 66 THR QG2 70 GLU HG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 974, 975, 976,
&end
#
# 66 THR QG2 70 GLU HG3 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 974, 975, 976,
&end
#
# 66 THR QG2 81 PHE QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 974, 975, 976,
igr2=1201,1205,
&end
#
# 66 THR QG2 91 ASP H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 974, 975, 976,
&end
#
# 66 THR QG2 91 ASP HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 974, 975, 976,
&end
#
# 66 THR QG2 94 PHE QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 974, 975, 976,
igr2=1366,1374,
&end
#
# 66 THR QG2 94 PHE QE 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 974, 975, 976,
igr2=1368,1372,
&end
#
# 67 PRO HA 69 ALA H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 992,1012, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 67 PRO HA 70 GLU H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 992,1022, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 67 PRO HA 70 GLU HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 992,1026, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 67 PRO HA 70 GLU HG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 992,1029, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 67 PRO HA 70 GLU HG3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 992,1030, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 67 PRO HA 71 ALA H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 992,1037, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 67 PRO HB2 68 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 989, 996, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 67 PRO HD2 68 VAL H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 983, 996, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 67 PRO HD2 69 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 983,1012, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 PRO HD3 68 VAL H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 984, 996, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 67 PRO QG 68 VAL H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 986, 987,
&end
#
# 68 VAL H 68 VAL HB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 996,1000, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 68 VAL H 68 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1002,1003,1004,
&end
#
# 68 VAL H 68 VAL QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1006,1007,1008,
&end
#
# 68 VAL H 69 ALA H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 996,1012, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 68 VAL H 69 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1016,1017,1018,
&end
#
# 68 VAL HA 68 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1002,1003,1004,
&end
#
# 68 VAL HA 68 VAL QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1006,1007,1008,
&end
#
# 68 VAL HA 69 ALA QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1016,1017,1018,
&end
#
# 68 VAL HA 70 GLU H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 998,1022, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 68 VAL HA 71 ALA H 3.89
&rst
ixpk= 0, nxpk= 0, iat= 998,1037, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 68 VAL HA 71 ALA HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 998,1039, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 68 VAL HA 71 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1041,1042,1043,
&end
#
# 68 VAL HA 72 LEU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 998,1047, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 68 VAL HA 72 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1060,1061,1062,
&end
#
# 68 VAL HB 69 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1000,1012, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 VAL HB 69 ALA HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=1000,1014, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 68 VAL HB 69 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1016,1017,1018,
&end
#
# 68 VAL HB 70 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1000,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 VAL QG1 69 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1002,1003,1004,
&end
#
# 68 VAL QG2 69 ALA H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1006,1007,1008,
&end
#
# 68 VAL QG2 69 ALA HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1006,1007,1008,
&end
#
# 68 VAL QG2 71 ALA H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1006,1007,1008,
&end
#
# 68 VAL QG2 72 LEU H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1006,1007,1008,
&end
#
# 68 VAL QG2 72 LEU HG 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1006,1007,1008,
&end
#
# 68 VAL QG2 72 LEU QD2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1006,1007,1008,
igr2=1060,1061,1062,
&end
#
# 69 ALA H 69 ALA QB 2.99
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1016,1017,1018,
&end
#
# 69 ALA H 70 GLU H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1012,1022, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 69 ALA H 71 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1012,1037, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 69 ALA HA 72 LEU H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1014,1047, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 69 ALA HA 72 LEU HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1014,1051, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 69 ALA HA 72 LEU HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat=1014,1052, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 69 ALA HA 72 LEU QD2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1060,1061,1062,
&end
#
# 69 ALA HA 73 ALA H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1014,1066, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 69 ALA HA 79 PHE HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat=1014,1160, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 69 ALA QB 70 GLU H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1016,1017,1018,
&end
#
# 69 ALA QB 70 GLU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1016,1017,1018,
&end
#
# 69 ALA QB 70 GLU HG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1016,1017,1018,
&end
#
# 69 ALA QB 70 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1016,1017,1018,
&end
#
# 69 ALA QB 71 ALA H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1016,1017,1018,
&end
#
# 69 ALA QB 72 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1016,1017,1018,
igr2=1060,1061,1062,
&end
#
# 69 ALA QB 73 ALA QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1016,1017,1018,
igr2=1070,1071,1072,
&end
#
# 69 ALA QB 81 PHE HZ 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1016,1017,1018,
&end
#
# 69 ALA QB 81 PHE QE 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1016,1017,1018,
igr2=1201,1205,
&end
#
# 69 ALA QB 94 PHE HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1016,1017,1018,
&end
#
# 69 ALA QB 94 PHE QE 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1016,1017,1018,
igr2=1368,1372,
&end
#
# 70 GLU H 70 GLU HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1022,1026, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 70 GLU H 70 GLU HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=1022,1027, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 70 GLU H 70 GLU HG2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1022,1029, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 70 GLU H 70 GLU HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1022,1030, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 70 GLU H 71 ALA H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1022,1037, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 70 GLU H 72 LEU H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1022,1047, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 70 GLU HA 70 GLU HG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1024,1029, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 70 GLU HA 70 GLU HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat=1024,1030, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 70 GLU HA 73 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1024,1066, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 70 GLU HA 73 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1070,1071,1072,
&end
#
# 70 GLU HA 74 ALA H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1024,1076, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 70 GLU HB2 71 ALA H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1026,1037, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 70 GLU HB3 71 ALA H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1027,1037, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 70 GLU HB3 73 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1070,1071,1072,
&end
#
# 70 GLU HG2 73 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1070,1071,1072,
&end
#
# 70 GLU HG2 94 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1368,1372,
&end
#
# 70 GLU HG3 94 PHE QE 5.31
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1368,1372,
&end
#
# 71 ALA H 71 ALA QB 3.07
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1041,1042,1043,
&end
#
# 71 ALA H 72 LEU H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1037,1047, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 71 ALA H 73 ALA H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1037,1066, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 71 ALA H 74 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1080,1081,1082,
&end
#
# 71 ALA HA 74 ALA H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1039,1076, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 71 ALA HA 74 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1080,1081,1082,
&end
#
# 71 ALA QB 72 LEU H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1041,1042,1043,
&end
#
# 71 ALA QB 74 ALA H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1041,1042,1043,
&end
#
# 71 ALA QB 75 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 71 ALA QB 75 ARG HE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1041,1042,1043,
&end
#
# 72 LEU H 72 LEU HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 72 LEU H 72 LEU HG 3.67
&rst
ixpk= 0, nxpk= 0, iat=1047,1054, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 72 LEU H 72 LEU QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1056,1057,1058,
&end
#
# 72 LEU H 72 LEU QD2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1060,1061,1062,
&end
#
# 72 LEU H 73 ALA H 3.41
&rst
ixpk= 0, nxpk= 0, iat=1047,1066, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 72 LEU H 73 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1070,1071,1072,
&end
#
# 72 LEU HA 72 LEU QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1056,1057,1058,
&end
#
# 72 LEU HA 72 LEU QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1060,1061,1062,
&end
#
# 72 LEU HA 75 ARG H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1049,1086, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 72 LEU HA 75 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LEU HA 75 ARG HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat=1049,1091, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 72 LEU HA 75 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1096, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LEU HA 75 ARG HD3 5.15
&rst
ixpk= 0, nxpk= 0, iat=1049,1097, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 72 LEU HA 76 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LEU HA 77 ILE H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1049,1122, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 72 LEU HA 77 ILE QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1135,1136,1137,
&end
#
# 72 LEU HA 77 ILE QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1128,1129,1130,
&end
#
# 72 LEU HB2 72 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1060,1061,1062,
&end
#
# 72 LEU HB2 73 ALA H 4.98
&rst
ixpk= 0, nxpk= 0, iat=1051,1066, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 72 LEU HB2 79 PHE HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1051,1159, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 72 LEU HB2 79 PHE QD 3.73
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1163,1171,
&end
#
# 72 LEU HB3 73 ALA H 3.84
&rst
ixpk= 0, nxpk= 0, iat=1052,1066, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 72 LEU HB3 73 ALA HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=1052,1068, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 72 LEU HB3 77 ILE HG13 5.27
&rst
ixpk= 0, nxpk= 0, iat=1052,1133, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 72 LEU QD1 73 ALA H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1056,1057,1058,
&end
#
# 72 LEU QD1 75 ARG HD3 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1056,1057,1058,
&end
#
# 72 LEU QD1 77 ILE H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1056,1057,1058,
&end
#
# 72 LEU QD1 77 ILE HB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1056,1057,1058,
&end
#
# 72 LEU QD1 77 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1056,1057,1058,
igr2=1135,1136,1137,
&end
#
# 72 LEU QD1 77 ILE QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1056,1057,1058,
igr2=1128,1129,1130,
&end
#
# 72 LEU QD2 73 ALA H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1060,1061,1062,
&end
#
# 72 LEU QD2 77 ILE HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1060,1061,1062,
&end
#
# 72 LEU QD2 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1060,1061,1062,
igr2=1135,1136,1137,
&end
#
# 72 LEU QD2 77 ILE QG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1=1060,1061,1062,
igr2=1128,1129,1130,
&end
#
# 72 LEU QD2 79 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1060,1061,1062,
&end
#
# 72 LEU QD2 79 PHE HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1060,1061,1062,
&end
#
# 72 LEU QD2 79 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1060,1061,1062,
igr2=1163,1171,
&end
#
# 73 ALA H 73 ALA QB 3.11
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1070,1071,1072,
&end
#
# 73 ALA H 74 ALA H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1066,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ALA H 74 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1080,1081,1082,
&end
#
# 73 ALA H 75 ARG H 5.26
&rst
ixpk= 0, nxpk= 0, iat=1066,1086, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 73 ALA QB 74 ALA H 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1070,1071,1072,
&end
#
# 73 ALA QB 74 ALA HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1070,1071,1072,
&end
#
# 74 ALA H 74 ALA QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1080,1081,1082,
&end
#
# 74 ALA H 75 ARG H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1076,1086, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 74 ALA HA 76 ASP H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1078,1110, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 74 ALA QB 75 ARG H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1080,1081,1082,
&end
#
# 74 ALA QB 75 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1080,1081,1082,
&end
#
# 74 ALA QB 75 ARG HG3 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1=1080,1081,1082,
&end
#
# 74 ALA QB 76 ASP H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1080,1081,1082,
&end
#
# 75 ARG H 75 ARG HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1086,1090, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 75 ARG H 75 ARG HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 75 ARG H 75 ARG HD2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1086,1096, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 75 ARG H 75 ARG HD3 4.89
&rst
ixpk= 0, nxpk= 0, iat=1086,1097, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 75 ARG H 75 ARG HG2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1086,1093, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 75 ARG H 76 ASP H 2.98
&rst
ixpk= 0, nxpk= 0, iat=1086,1110, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 75 ARG H 77 ILE H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1086,1122, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 75 ARG H 77 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1135,1136,1137,
&end
#
# 75 ARG HA 75 ARG HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1088,1096, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 75 ARG HA 75 ARG HD3 4.93
&rst
ixpk= 0, nxpk= 0, iat=1088,1097, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 75 ARG HA 75 ARG HG3 3.35
&rst
ixpk= 0, nxpk= 0, iat=1088,1094, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 75 ARG HA 76 ASP HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat=1088,1115, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 75 ARG HB2 75 ARG HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1090,1096, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 75 ARG HB2 75 ARG HD3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1090,1097, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 75 ARG HB2 76 ASP H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1090,1110, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 75 ARG HB2 76 ASP HB3 5.59
&rst
ixpk= 0, nxpk= 0, iat=1090,1115, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 75 ARG HB2 77 ILE H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1090,1122, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 75 ARG HB2 77 ILE HG12 3.76
&rst
ixpk= 0, nxpk= 0, iat=1090,1132, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 75 ARG HB2 77 ILE HG13 4.98
&rst
ixpk= 0, nxpk= 0, iat=1090,1133, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 75 ARG HB2 77 ILE QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1135,1136,1137,
&end
#
# 75 ARG HB3 76 ASP H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1091,1110, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 75 ARG HB3 77 ILE H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1091,1122, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 75 ARG HB3 77 ILE HG12 4.14
&rst
ixpk= 0, nxpk= 0, iat=1091,1132, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 75 ARG HB3 77 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1135,1136,1137,
&end
#
# 75 ARG HD2 77 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1135,1136,1137,
&end
#
# 75 ARG HD3 77 ILE QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1135,1136,1137,
&end
#
# 76 ASP H 76 ASP HA 2.81
&rst
ixpk= 0, nxpk= 0, iat=1110,1112, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 76 ASP H 76 ASP HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1110,1114, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 76 ASP H 76 ASP HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 76 ASP HA 77 ILE H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1112,1122, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 76 ASP HB2 77 ILE H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1114,1122, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 76 ASP HB3 77 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE H 77 ILE HB 3.63
&rst
ixpk= 0, nxpk= 0, iat=1122,1126, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 77 ILE H 77 ILE HG12 3.21
&rst
ixpk= 0, nxpk= 0, iat=1122,1132, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 77 ILE H 77 ILE HG13 4.33
&rst
ixpk= 0, nxpk= 0, iat=1122,1133, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 77 ILE H 77 ILE QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1135,1136,1137,
&end
#
# 77 ILE H 77 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1128,1129,1130,
&end
#
# 77 ILE H 78 PRO HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1122,1142, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 77 ILE HA 77 ILE HG12 4.22
&rst
ixpk= 0, nxpk= 0, iat=1124,1132, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 77 ILE HA 77 ILE HG13 3.80
&rst
ixpk= 0, nxpk= 0, iat=1124,1133, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 77 ILE HA 77 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1135,1136,1137,
&end
#
# 77 ILE HA 77 ILE QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1128,1129,1130,
&end
#
# 77 ILE HA 78 PRO HA 4.54
&rst
ixpk= 0, nxpk= 0, iat=1124,1151, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 77 ILE HA 78 PRO HD2 2.86
&rst
ixpk= 0, nxpk= 0, iat=1124,1142, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 77 ILE HA 78 PRO HD3 2.63
&rst
ixpk= 0, nxpk= 0, iat=1124,1143, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 77 ILE HB 78 PRO HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1126,1142, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 77 ILE HB 78 PRO HD3 4.84
&rst
ixpk= 0, nxpk= 0, iat=1126,1143, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 77 ILE HG13 78 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1133,1142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE QG2 78 PRO HD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1128,1129,1130,
&end
#
# 77 ILE QG2 78 PRO HD3 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1128,1129,1130,
&end
#
# 78 PRO HA 116 LEU QD2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1720,1721,1722,
&end
#
# 78 PRO HA 79 PHE H 2.99
&rst
ixpk= 0, nxpk= 0, iat=1151,1155, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 78 PRO HA 79 PHE HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1151,1157, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 78 PRO HA 79 PHE HB2 5.58
&rst
ixpk= 0, nxpk= 0, iat=1151,1159, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 78 PRO HB2 116 LEU HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1148,1712, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 78 PRO HB2 116 LEU QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1720,1721,1722,
&end
#
# 78 PRO HB2 79 PHE H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1148,1155, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 78 PRO HB3 116 LEU HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat=1149,1712, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 78 PRO HB3 116 LEU QD1 3.06
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1716,1717,1718,
&end
#
# 78 PRO HB3 116 LEU QD2 3.12
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1720,1721,1722,
&end
#
# 78 PRO HB3 79 PHE H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1149,1155, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 79 PHE H 116 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1720,1721,1722,
&end
#
# 79 PHE H 79 PHE HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1155,1160, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 79 PHE H 80 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1155,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 PHE H 80 VAL HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1155,1177, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 79 PHE HA 116 LEU QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1716,1717,1718,
&end
#
# 79 PHE HA 116 LEU QD2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1720,1721,1722,
&end
#
# 79 PHE HA 80 VAL H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1157,1175, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 79 PHE HA 80 VAL HB 5.08
&rst
ixpk= 0, nxpk= 0, iat=1157,1179, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 79 PHE HB2 80 VAL H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1159,1175, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 80 VAL H 80 VAL HB 3.76
&rst
ixpk= 0, nxpk= 0, iat=1175,1179, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 80 VAL H 80 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1181,1182,1183,
&end
#
# 80 VAL H 80 VAL QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1185,1186,1187,
&end
#
# 80 VAL H 80 VAL QQG 3.94
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1181,1182,1183,1185,1186,1187,
&end
#
# 80 VAL HA 80 VAL QG1 3.39
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1181,1182,1183,
&end
#
# 80 VAL HA 80 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1185,1186,1187,
&end
#
# 80 VAL HA 81 PHE H 3.07
&rst
ixpk= 0, nxpk= 0, iat=1177,1191, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 80 VAL HA 81 PHE QB 5.06
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1195,1196,
&end
#
# 80 VAL HA 81 PHE QD 4.63
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1199,1207,
&end
#
# 80 VAL HA 98 PRO HD3 5.13
&rst
ixpk= 0, nxpk= 0, iat=1177,1440, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 80 VAL HA 98 PRO HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1177,1442, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 80 VAL HB 81 PHE H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1179,1191, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 80 VAL QG1 100 LEU QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1181,1182,1183,
igr2=1477,1478,1479,
&end
#
# 80 VAL QG1 112 ALA HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1181,1182,1183,
&end
#
# 80 VAL QG1 112 ALA QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1181,1182,1183,
igr2=1662,1663,1664,
&end
#
# 80 VAL QG1 113 LEU HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1181,1182,1183,
&end
#
# 80 VAL QG1 81 PHE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1181,1182,1183,
&end
#
# 80 VAL QG1 98 PRO HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1181,1182,1183,
&end
#
# 80 VAL QG1 98 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1181,1182,1183,
&end
#
# 80 VAL QG1 98 PRO HD3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1181,1182,1183,
&end
#
# 80 VAL QG1 98 PRO HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1181,1182,1183,
&end
#
# 80 VAL QG2 100 LEU H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1185,1186,1187,
&end
#
# 80 VAL QG2 100 LEU HG 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1185,1186,1187,
&end
#
# 80 VAL QG2 113 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1185,1186,1187,
igr2=1681,1682,1683,
&end
#
# 80 VAL QG2 81 PHE H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1185,1186,1187,
&end
#
# 80 VAL QG2 98 PRO HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1185,1186,1187,
&end
#
# 80 VAL QG2 98 PRO HD3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1185,1186,1187,
&end
#
# 80 VAL QG2 98 PRO HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1185,1186,1187,
&end
#
# 80 VAL QG2 99 VAL HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1185,1186,1187,
&end
#
# 80 VAL QQG 100 LEU H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1181,1182,1183,1185,1186,1187,
&end
#
# 80 VAL QQG 81 PHE H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1181,1182,1183,1185,1186,1187,
&end
#
# 80 VAL QQG 99 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1181,1182,1183,1185,1186,1187,
&end
#
# 81 PHE H 100 LEU H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1191,1468, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 PHE H 81 PHE QB 3.31
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1195,1196,
&end
#
# 81 PHE H 81 PHE QD 4.05
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1199,1207,
&end
#
# 81 PHE H 82 ALA H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1191,1211, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 81 PHE H 82 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1191,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 PHE H 97 ARG HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat=1191,1419, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 81 PHE H 99 VAL HA 3.64
&rst
ixpk= 0, nxpk= 0, iat=1191,1454, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 81 PHE H 99 VAL QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1462,1463,1464,
&end
#
# 81 PHE HA 81 PHE QD 3.32
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1199,1207,
&end
#
# 81 PHE HA 82 ALA H 3.20
&rst
ixpk= 0, nxpk= 0, iat=1193,1211, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 81 PHE HA 82 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1215,1216,1217,
&end
#
# 81 PHE QB 100 LEU H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1195,1196,
&end
#
# 81 PHE QB 82 ALA H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1195,1196,
&end
#
# 81 PHE QB 82 ALA HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1195,1196,
&end
#
# 81 PHE QB 82 ALA QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1195,1196,
igr2=1215,1216,1217,
&end
#
# 81 PHE QB 83 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1195,1196,
igr2=1227,1228,1229,
&end
#
# 81 PHE QB 99 VAL HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1195,1196,
&end
#
# 81 PHE QB 99 VAL QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1195,1196,
igr2=1462,1463,1464,
&end
#
# 81 PHE QD 82 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1199,1207,
&end
#
# 81 PHE QD 83 THR QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1199,1207,
igr2=1227,1228,1229,
&end
#
# 81 PHE QD 90 VAL QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1199,1207,
igr2=1305,1306,1307,
&end
#
# 81 PHE QD 97 ARG HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1199,1207,
&end
#
# 81 PHE QD 97 ARG HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1199,1207,
&end
#
# 81 PHE QE 90 VAL QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1201,1205,
igr2=1305,1306,1307,
&end
#
# 81 PHE QE 94 PHE HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1201,1205,
&end
#
# 81 PHE QE 94 PHE HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1201,1205,
&end
#
# 81 PHE QE 97 ARG HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1201,1205,
&end
#
# 82 ALA H 82 ALA QB 3.51
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1215,1216,1217,
&end
#
# 82 ALA H 83 THR H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1211,1221, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 82 ALA H 83 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1227,1228,1229,
&end
#
# 82 ALA HA 100 LEU H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1213,1468, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 82 ALA HA 100 LEU HB2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1213,1472, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 82 ALA HA 100 LEU HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat=1213,1473, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 82 ALA HA 100 LEU QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1477,1478,1479,
&end
#
# 82 ALA HA 83 THR H 2.90
&rst
ixpk= 0, nxpk= 0, iat=1213,1221, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 82 ALA HA 83 THR HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=1213,1223, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 82 ALA HA 83 THR QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1227,1228,1229,
&end
#
# 82 ALA HA 99 VAL HA 4.79
&rst
ixpk= 0, nxpk= 0, iat=1213,1454, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 82 ALA HA 99 VAL QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1462,1463,1464,
&end
#
# 82 ALA QB 100 LEU H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1215,1216,1217,
&end
#
# 82 ALA QB 100 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1215,1216,1217,
&end
#
# 82 ALA QB 100 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1215,1216,1217,
igr2=1477,1478,1479,
&end
#
# 82 ALA QB 83 THR H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1215,1216,1217,
&end
#
# 83 THR H 100 LEU H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1221,1468, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 83 THR H 100 LEU HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1221,1472, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 83 THR H 101 GLN H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1221,1487, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 83 THR H 101 GLN HA 4.03
&rst
ixpk= 0, nxpk= 0, iat=1221,1489, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 83 THR H 83 THR HB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1221,1225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 THR H 83 THR QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1227,1228,1229,
&end
#
# 83 THR H 84 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1221,1235, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 83 THR H 99 VAL QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1462,1463,1464,
&end
#
# 83 THR HA 83 THR HB 3.01
&rst
ixpk= 0, nxpk= 0, iat=1223,1225, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 83 THR HA 83 THR QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1227,1228,1229,
&end
#
# 83 THR HA 84 GLY H 3.20
&rst
ixpk= 0, nxpk= 0, iat=1223,1235, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 83 THR HA 84 GLY HA3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1223,1238, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 83 THR HA 90 VAL QG1 5.80
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1301,1302,1303,
&end
#
# 83 THR HB 84 GLY H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1225,1235, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 83 THR HB 84 GLY HA2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1225,1237, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 83 THR HB 88 ASP HA 4.15
&rst
ixpk= 0, nxpk= 0, iat=1225,1274, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 83 THR HB 88 ASP HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1225,1277, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 83 THR HB 90 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1301,1302,1303,
&end
#
# 83 THR QG2 101 GLN HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1227,1228,1229,
&end
#
# 83 THR QG2 101 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1227,1228,1229,
&end
#
# 83 THR QG2 101 GLN HG3 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1227,1228,1229,
&end
#
# 83 THR QG2 84 GLY H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1227,1228,1229,
&end
#
# 83 THR QG2 88 ASP HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1227,1228,1229,
&end
#
# 83 THR QG2 88 ASP HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1227,1228,1229,
&end
#
# 83 THR QG2 88 ASP HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1227,1228,1229,
&end
#
# 83 THR QG2 90 VAL QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1227,1228,1229,
igr2=1301,1302,1303,
&end
#
# 83 THR QG2 99 VAL QG2 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1227,1228,1229,
igr2=1462,1463,1464,
&end
#
# 84 GLY H 85 GLY QA 5.31
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1244,1245,
&end
#
# 84 GLY H 88 ASP HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat=1235,1277, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 84 GLY HA2 101 GLN HA 3.87
&rst
ixpk= 0, nxpk= 0, iat=1237,1489, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 84 GLY HA2 102 LYS H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1237,1504, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 84 GLY HA2 102 LYS HA 4.67
&rst
ixpk= 0, nxpk= 0, iat=1237,1506, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 85 GLY H 86 SER H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1242,1249, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 85 GLY QA 86 SER H 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=1244,1245,
&end
#
# 86 SER H 86 SER HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1249,1253, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 86 SER H 86 SER HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1249,1254, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 86 SER HA 86 SER HB3 2.70
&rst
ixpk= 0, nxpk= 0, iat=1251,1254, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 86 SER HA 87 ASP H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1251,1260, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 86 SER HB2 87 ASP H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1253,1260, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 86 SER HB2 87 ASP HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=1253,1262, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 87 ASP H 88 ASP H 3.27
&rst
ixpk= 0, nxpk= 0, iat=1260,1272, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 87 ASP HA 88 ASP H 3.19
&rst
ixpk= 0, nxpk= 0, iat=1262,1272, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 88 ASP H 88 ASP HA 2.90
&rst
ixpk= 0, nxpk= 0, iat=1272,1274, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 88 ASP H 88 ASP HB3 3.06
&rst
ixpk= 0, nxpk= 0, iat=1272,1277, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 88 ASP HA 88 ASP HB3 2.84
&rst
ixpk= 0, nxpk= 0, iat=1274,1277, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 88 ASP HA 89 SER H 3.09
&rst
ixpk= 0, nxpk= 0, iat=1274,1284, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 88 ASP HA 90 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1274,1295, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 88 ASP HB2 101 GLN HG3 5.12
&rst
ixpk= 0, nxpk= 0, iat=1276,1495, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 88 ASP HB3 101 GLN HG3 4.56
&rst
ixpk= 0, nxpk= 0, iat=1277,1495, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 88 ASP HB3 90 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1301,1302,1303,
&end
#
# 89 SER H 89 SER QB 3.17
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1288,1289,
&end
#
# 89 SER H 90 VAL H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1284,1295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 SER H 90 VAL QG1 5.36
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1301,1302,1303,
&end
#
# 89 SER HA 89 SER QB 2.77
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1288,1289,
&end
#
# 89 SER HA 90 VAL H 2.88
&rst
ixpk= 0, nxpk= 0, iat=1286,1295, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 89 SER HA 90 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1301,1302,1303,
&end
#
# 89 SER QB 90 VAL H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1288,1289,
&end
#
# 89 SER QB 90 VAL QG1 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1288,1289,
igr2=1301,1302,1303,
&end
#
# 90 VAL H 90 VAL HB 3.60
&rst
ixpk= 0, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 90 VAL H 90 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1301,1302,1303,
&end
#
# 90 VAL H 90 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1305,1306,1307,
&end
#
# 90 VAL H 91 ASP H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 90 VAL HA 90 VAL QG1 3.52
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1301,1302,1303,
&end
#
# 90 VAL HA 90 VAL QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1305,1306,1307,
&end
#
# 90 VAL HA 91 ASP H 2.91
&rst
ixpk= 0, nxpk= 0, iat=1297,1311, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 90 VAL HA 91 ASP HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=1297,1313, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 90 VAL HA 91 ASP HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1297,1315, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 90 VAL HA 91 ASP HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1297,1316, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 90 VAL HB 91 ASP H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1299,1311, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 90 VAL QG1 91 ASP H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1301,1302,1303,
&end
#
# 90 VAL QG1 95 ARG HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1301,1302,1303,
&end
#
# 90 VAL QG1 95 ARG QG 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1301,1302,1303,
igr2=1385,1386,
&end
#
# 90 VAL QG1 99 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1301,1302,1303,
igr2=1458,1459,1460,
&end
#
# 90 VAL QG2 91 ASP H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 91 ASP HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 91 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 91 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 92 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 94 PHE H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 94 PHE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 94 PHE HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 94 PHE HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 95 ARG H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 95 ARG HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 95 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1305,1306,1307,
&end
#
# 90 VAL QG2 95 ARG QG 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1305,1306,1307,
igr2=1385,1386,
&end
#
# 90 VAL QG2 99 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1305,1306,1307,
igr2=1458,1459,1460,
&end
#
# 91 ASP H 91 ASP HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1311,1315, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 91 ASP H 91 ASP HB3 3.06
&rst
ixpk= 0, nxpk= 0, iat=1311,1316, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 91 ASP H 93 ARG H 5.22
&rst
ixpk= 0, nxpk= 0, iat=1311,1334, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 91 ASP H 94 PHE QD 4.86
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1366,1374,
&end
#
# 91 ASP HA 92 SER H 2.82
&rst
ixpk= 0, nxpk= 0, iat=1313,1323, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 91 ASP HA 93 ARG H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1313,1334, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 91 ASP HB2 92 SER H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1315,1323, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 91 ASP HB2 93 ARG H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1315,1334, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 91 ASP HB2 94 PHE QD 3.42
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1366,1374,
&end
#
# 91 ASP HB2 94 PHE QE 5.18
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1368,1372,
&end
#
# 91 ASP HB3 92 SER H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1316,1323, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 91 ASP HB3 94 PHE QD 4.01
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1366,1374,
&end
#
# 91 ASP HB3 94 PHE QE 5.07
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1368,1372,
&end
#
# 92 SER H 92 SER QB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1327,1328,
&end
#
# 92 SER H 93 ARG H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1323,1334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 SER HA 94 PHE H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1325,1358, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 92 SER HA 95 ARG H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1325,1378, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 92 SER HA 95 ARG HA 4.77
&rst
ixpk= 0, nxpk= 0, iat=1325,1380, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 92 SER HA 95 ARG HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1325,1382, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 92 SER HA 95 ARG HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1325,1383, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 92 SER HA 95 ARG QG 3.46
&rst
ixpk= 0, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1385,1386,
&end
#
# 92 SER QB 93 ARG H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1327,1328,
&end
#
# 92 SER QB 95 ARG HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1327,1328,
&end
#
# 92 SER QB 95 ARG HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1327,1328,
&end
#
# 92 SER QB 95 ARG QG 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1327,1328,
igr2=1385,1386,
&end
#
# 93 ARG H 93 ARG HD2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1334,1344, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 93 ARG H 93 ARG QB 3.20
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1338,1339,
&end
#
# 93 ARG H 93 ARG QG 4.27
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1341,1342,
&end
#
# 93 ARG H 94 PHE H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1334,1358, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 93 ARG HA 93 ARG HD2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1336,1344, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 93 ARG HA 93 ARG HE 5.60
&rst
ixpk= 0, nxpk= 0, iat=1336,1347, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 93 ARG HA 93 ARG QG 3.46
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1341,1342,
&end
#
# 93 ARG HA 94 PHE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat=1336,1360, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 93 ARG HA 94 PHE QD 5.21
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1366,1374,
&end
#
# 93 ARG HA 95 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1336,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ARG HE 94 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1368,1372,
&end
#
# 93 ARG QB 93 ARG HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1338,1339,
&end
#
# 93 ARG QB 93 ARG HD3 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1338,1339,
&end
#
# 93 ARG QB 94 PHE H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1338,1339,
&end
#
# 93 ARG QB 94 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1338,1339,
igr2=1366,1374,
&end
#
# 93 ARG QB 94 PHE QE 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1338,1339,
igr2=1368,1372,
&end
#
# 93 ARG QG 94 PHE H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1341,1342,
&end
#
# 93 ARG QG 94 PHE HZ 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1341,1342,
&end
#
# 94 PHE H 94 PHE HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1358,1362, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 94 PHE H 94 PHE HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1358,1363, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 94 PHE H 94 PHE QD 4.69
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1366,1374,
&end
#
# 94 PHE H 94 PHE QE 4.96
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1368,1372,
&end
#
# 94 PHE H 95 ARG H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1358,1378, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 94 PHE H 95 ARG HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat=1358,1383, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 94 PHE H 95 ARG QG 4.57
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1385,1386,
&end
#
# 94 PHE H 96 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1358,1402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PHE HA 94 PHE QD 3.48
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1366,1374,
&end
#
# 94 PHE HA 94 PHE QE 4.90
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1368,1372,
&end
#
# 94 PHE HA 96 ASP H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1360,1402, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 94 PHE HA 97 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1360,1414, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 94 PHE HB3 97 ARG HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat=1363,1419, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 95 ARG H 95 ARG HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1378,1382, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 95 ARG H 95 ARG HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat=1378,1383, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 95 ARG H 95 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1388,1389,
&end
#
# 95 ARG H 95 ARG QG 3.45
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1385,1386,
&end
#
# 95 ARG H 96 ASP H 3.59
&rst
ixpk= 0, nxpk= 0, iat=1378,1402, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 95 ARG HA 95 ARG QG 3.64
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1385,1386,
&end
#
# 95 ARG HA 96 ASP HA 5.36
&rst
ixpk= 0, nxpk= 0, iat=1380,1404, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 95 ARG HA 97 ARG H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1380,1414, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 95 ARG HB2 95 ARG QG 2.97
&rst
ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1385,1386,
&end
#
# 95 ARG HB2 96 ASP H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1382,1402, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 95 ARG HB3 95 ARG QG 2.66
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1385,1386,
&end
#
# 95 ARG HB3 96 ASP H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1383,1402, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 95 ARG QG 96 ASP H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1385,1386,
&end
#
# 96 ASP H 96 ASP HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1402,1406, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 96 ASP H 96 ASP HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1402,1407, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 96 ASP H 97 ARG H 3.27
&rst
ixpk= 0, nxpk= 0, iat=1402,1414, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 96 ASP HB2 97 ARG H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1406,1414, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 97 ARG H 97 ARG HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1414,1418, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 97 ARG H 98 PRO HD2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1414,1439, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 97 ARG HA 98 PRO HD2 3.24
&rst
ixpk= 0, nxpk= 0, iat=1416,1439, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 97 ARG HA 98 PRO HD3 3.42
&rst
ixpk= 0, nxpk= 0, iat=1416,1440, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 97 ARG HB2 98 PRO HD3 5.15
&rst
ixpk= 0, nxpk= 0, iat=1418,1440, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 97 ARG HB3 98 PRO HD3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1419,1440, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 98 PRO HA 99 VAL H 2.80
&rst
ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 PRO HA 99 VAL HB 4.75
&rst
ixpk= 0, nxpk= 0, iat=1448,1456, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 98 PRO HA 99 VAL QG1 4.12
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1458,1459,1460,
&end
#
# 98 PRO HB2 112 ALA HA 4.33
&rst
ixpk= 0, nxpk= 0, iat=1445,1660, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 98 PRO HB2 112 ALA QB 4.65
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1662,1663,1664,
&end
#
# 98 PRO HB2 99 VAL H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1445,1452, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 98 PRO HB3 112 ALA HA 4.78
&rst
ixpk= 0, nxpk= 0, iat=1446,1660, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 98 PRO HB3 99 VAL H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1446,1452, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 98 PRO HD2 116 LEU QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1720,1721,1722,
&end
#
# 98 PRO HD3 116 LEU QD2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1720,1721,1722,
&end
#
# 98 PRO HG2 116 LEU QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1720,1721,1722,
&end
#
# 99 VAL H 100 LEU H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1452,1468, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 99 VAL H 99 VAL HB 3.36
&rst
ixpk= 0, nxpk= 0, iat=1452,1456, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 99 VAL H 99 VAL QG1 3.65
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1458,1459,1460,
&end
#
# 99 VAL H 99 VAL QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1462,1463,1464,
&end
#
# 99 VAL HA 100 LEU H 2.95
&rst
ixpk= 0, nxpk= 0, iat=1454,1468, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 99 VAL HA 100 LEU HB3 5.60
&rst
ixpk= 0, nxpk= 0, iat=1454,1473, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 99 VAL HA 99 VAL QG1 3.52
&rst
ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1458,1459,1460,
&end
#
# 99 VAL HA 99 VAL QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1462,1463,1464,
&end
#
# 99 VAL HB 100 LEU H 4.04
&rst
ixpk= 0, nxpk= 0, iat=1456,1468, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 99 VAL QG1 100 LEU H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1458,1459,1460,
&end
#
# 99 VAL QG1 101 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1458,1459,1460,
&end
#
# 99 VAL QG2 100 LEU H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1462,1463,1464,
&end
#
# 99 VAL QG2 101 GLN H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1462,1463,1464,
&end
#
# 99 VAL QG2 101 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1462,1463,1464,
&end
#
# 99 VAL QG2 101 GLN HG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1462,1463,1464,
&end
#
# 99 VAL QG2 101 GLN HG3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1462,1463,1464,
&end
#
# 100 LEU H 100 LEU HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat=1468,1472, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 100 LEU H 100 LEU HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1468,1473, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 100 LEU H 100 LEU HG 4.82
&rst
ixpk= 0, nxpk= 0, iat=1468,1475, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 100 LEU H 100 LEU QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1477,1478,1479,
&end
#
# 100 LEU H 101 GLN H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1468,1487, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 100 LEU HA 100 LEU QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1477,1478,1479,
&end
#
# 100 LEU HA 100 LEU QD2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1481,1482,1483,
&end
#
# 100 LEU HA 101 GLN H 2.78
&rst
ixpk= 0, nxpk= 0, iat=1470,1487, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 100 LEU HA 112 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1662,1663,1664,
&end
#
# 100 LEU HB2 100 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1477,1478,1479,
&end
#
# 100 LEU HB2 101 GLN H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1472,1487, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 100 LEU HB2 104 PHE QD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1548,1556,
&end
#
# 100 LEU HB2 104 PHE QE 4.61
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1550,1554,
&end
#
# 100 LEU HB3 100 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1477,1478,1479,
&end
#
# 100 LEU HB3 100 LEU QD2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1481,1482,1483,
&end
#
# 100 LEU HB3 101 GLN H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1473,1487, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 100 LEU QD1 101 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1477,1478,1479,
&end
#
# 100 LEU QD1 104 PHE QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1477,1478,1479,
igr2=1544,1545,
&end
#
# 100 LEU QD1 104 PHE QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1477,1478,1479,
igr2=1550,1554,
&end
#
# 100 LEU QD1 109 VAL HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1477,1478,1479,
&end
#
# 100 LEU QD1 109 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1477,1478,1479,
igr2=1616,1617,1618,
&end
#
# 100 LEU QD1 112 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1477,1478,1479,
&end
#
# 100 LEU QD1 112 ALA QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1477,1478,1479,
igr2=1662,1663,1664,
&end
#
# 100 LEU QD2 101 GLN H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1481,1482,1483,
&end
#
# 100 LEU QD2 104 PHE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1481,1482,1483,
&end
#
# 100 LEU QD2 104 PHE QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1481,1482,1483,
igr2=1544,1545,
&end
#
# 100 LEU QD2 104 PHE QD 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1481,1482,1483,
igr2=1548,1556,
&end
#
# 100 LEU QD2 108 GLY HA2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1481,1482,1483,
&end
#
# 100 LEU QD2 108 GLY HA3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1481,1482,1483,
&end
#
# 100 LEU QD2 109 VAL H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1481,1482,1483,
&end
#
# 100 LEU QD2 109 VAL HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1481,1482,1483,
&end
#
# 100 LEU QD2 109 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1481,1482,1483,
igr2=1616,1617,1618,
&end
#
# 101 GLN H 101 GLN HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1487,1494, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 101 GLN H 101 GLN HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat=1487,1495, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 101 GLN H 104 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1550,1554,
&end
#
# 101 GLN HA 101 GLN HG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1489,1494, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 101 GLN HA 101 GLN HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1489,1495, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 101 GLN HA 102 LYS H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1489,1504, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 101 GLN HA 102 LYS HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1489,1512, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 GLN HB2 102 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1491,1504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 GLN HB3 102 LYS H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1492,1504, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 101 GLN HG2 102 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1494,1504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 GLN HG2 102 LYS HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1494,1506, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 101 GLN HG3 102 LYS H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1495,1504, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 101 GLN QG 101 GLN HE22 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1494,1495,
&end
#
# 102 LYS H 102 LYS HG3 4.41
&rst
ixpk= 0, nxpk= 0, iat=1504,1512, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 102 LYS HA 102 LYS HD2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1506,1514, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 102 LYS HA 102 LYS HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat=1506,1515, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 102 LYS HA 103 PRO HB3 5.65
&rst
ixpk= 0, nxpk= 0, iat=1506,1534, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 102 LYS HB3 102 LYS HD3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1509,1515, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 102 LYS HD2 104 PHE QD 5.21
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1548,1556,
&end
#
# 102 LYS HD3 104 PHE QD 5.11
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1548,1556,
&end
#
# 102 LYS HE2 104 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1548,1556,
&end
#
# 102 LYS HE3 104 PHE QD 5.54
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1548,1556,
&end
#
# 102 LYS HG3 102 LYS HE2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1512,1517, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 102 LYS HG3 102 LYS HE3 4.24
&rst
ixpk= 0, nxpk= 0, iat=1512,1518, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 103 PRO HA 104 PHE H 2.99
&rst
ixpk= 0, nxpk= 0, iat=1536,1540, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 103 PRO HA 104 PHE HA 5.20
&rst
ixpk= 0, nxpk= 0, iat=1536,1542, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 103 PRO HA 104 PHE QD 4.42
&rst
ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1548,1556,
&end
#
# 103 PRO HB2 104 PHE H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1533,1540, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 103 PRO HB3 104 PHE H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1534,1540, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 104 PHE H 104 PHE QB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1544,1545,
&end
#
# 104 PHE H 104 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1548,1556,
&end
#
# 104 PHE HA 104 PHE QD 3.62
&rst
ixpk= 0, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1548,1556,
&end
#
# 104 PHE HA 105 THR H 2.96
&rst
ixpk= 0, nxpk= 0, iat=1542,1560, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 104 PHE HA 105 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1566,1567,1568,
&end
#
# 104 PHE HA 108 GLY HA2 5.65
&rst
ixpk= 0, nxpk= 0, iat=1542,1605, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 104 PHE HA 109 VAL QG1 5.22
&rst
ixpk= 0, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1616,1617,1618,
&end
#
# 104 PHE QB 105 THR H 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1544,1545,
&end
#
# 104 PHE QB 108 GLY HA2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1544,1545,
&end
#
# 104 PHE QB 109 VAL QG1 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1544,1545,
igr2=1616,1617,1618,
&end
#
# 104 PHE QD 105 THR H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1548,1556,
&end
#
# 104 PHE QD 109 VAL HB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1548,1556,
&end
#
# 104 PHE QD 109 VAL QG1 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1548,1556,
igr2=1616,1617,1618,
&end
#
# 104 PHE QE 109 VAL QG1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1550,1554,
igr2=1616,1617,1618,
&end
#
# 105 THR H 105 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1566,1567,1568,
&end
#
# 105 THR H 108 GLY H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1560,1603, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 105 THR H 108 GLY HA2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1560,1605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 THR H 108 GLY HA3 5.04
&rst
ixpk= 0, nxpk= 0, iat=1560,1606, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 105 THR H 109 VAL QG1 5.11
&rst
ixpk= 0, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1616,1617,1618,
&end
#
# 105 THR HA 105 THR HB 2.90
&rst
ixpk= 0, nxpk= 0, iat=1562,1564, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 105 THR HA 105 THR QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1566,1567,1568,
&end
#
# 105 THR HA 106 MET H 3.21
&rst
ixpk= 0, nxpk= 0, iat=1562,1574, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 105 THR HA 106 MET HA 4.56
&rst
ixpk= 0, nxpk= 0, iat=1562,1576, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 105 THR HA 106 MET HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat=1562,1579, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 105 THR HB 106 MET H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1564,1574, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 105 THR HB 106 MET HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1564,1578, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 105 THR HB 106 MET HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat=1564,1579, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 105 THR HB 107 ASP H 3.69
&rst
ixpk= 0, nxpk= 0, iat=1564,1591, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 105 THR HB 107 ASP HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1564,1595, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 105 THR HB 108 GLY H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1564,1603, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 105 THR QG2 106 MET H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1566,1567,1568,
&end
#
# 105 THR QG2 107 ASP H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1566,1567,1568,
&end
#
# 105 THR QG2 108 GLY H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1566,1567,1568,
&end
#
# 106 MET H 106 MET HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1574,1578, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 106 MET H 106 MET HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1574,1579, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 106 MET H 107 ASP H 3.65
&rst
ixpk= 0, nxpk= 0, iat=1574,1591, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 106 MET HA 106 MET QE 4.45
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1585,1586,1587,
&end
#
# 106 MET HA 109 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1576,1610, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 106 MET HA 109 VAL QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1616,1617,1618,
&end
#
# 106 MET HA 109 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1620,1621,1622,
&end
#
# 106 MET HA 110 ALA H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1576,1626, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 106 MET HB2 107 ASP H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1578,1591, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 106 MET HB3 106 MET QE 3.84
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1585,1586,1587,
&end
#
# 106 MET HB3 107 ASP H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1579,1591, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 106 MET HG2 106 MET QE 3.51
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1585,1586,1587,
&end
#
# 106 MET HG3 106 MET QE 3.26
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1585,1586,1587,
&end
#
# 106 MET QE 107 ASP HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1585,1586,1587,
&end
#
# 106 MET QE 109 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1585,1586,1587,
igr2=1616,1617,1618,
&end
#
# 106 MET QE 110 ALA QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1585,1586,1587,
igr2=1630,1631,1632,
&end
#
# 107 ASP H 107 ASP HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1591,1595, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 107 ASP H 107 ASP HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat=1591,1596, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 107 ASP H 108 GLY H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1591,1603, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 107 ASP HA 109 VAL H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1593,1610, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 107 ASP HA 110 ALA H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1593,1626, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 107 ASP HB2 108 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1595,1603, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 ASP HB2 108 GLY HA3 5.90
&rst
ixpk= 0, nxpk= 0, iat=1595,1606, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 107 ASP HB3 108 GLY H 3.96
&rst
ixpk= 0, nxpk= 0, iat=1596,1603, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 108 GLY H 109 VAL H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1603,1610, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 108 GLY H 109 VAL QG1 4.99
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1616,1617,1618,
&end
#
# 108 GLY H 110 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1603,1626, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 108 GLY HA2 109 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1616,1617,1618,
&end
#
# 108 GLY HA3 110 ALA H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1606,1626, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 108 GLY HA3 111 LYS H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1606,1636, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 108 GLY HA3 111 LYS HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1606,1640, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 108 GLY HA3 111 LYS HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat=1606,1641, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 108 GLY HA3 111 LYS HD2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1606,1646, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 109 VAL H 109 VAL HB 3.52
&rst
ixpk= 0, nxpk= 0, iat=1610,1614, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 109 VAL H 109 VAL QG1 3.33
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1616,1617,1618,
&end
#
# 109 VAL H 109 VAL QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1620,1621,1622,
&end
#
# 109 VAL H 110 ALA H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1610,1626, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 109 VAL H 112 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1662,1663,1664,
&end
#
# 109 VAL HA 109 VAL QG1 3.26
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1616,1617,1618,
&end
#
# 109 VAL HA 109 VAL QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1620,1621,1622,
&end
#
# 109 VAL HA 110 ALA HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=1612,1628, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 109 VAL HA 112 ALA H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1612,1658, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 109 VAL HA 112 ALA HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=1612,1660, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 109 VAL HA 112 ALA QB 3.45
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1662,1663,1664,
&end
#
# 109 VAL HA 113 LEU H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1612,1668, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 109 VAL HB 110 ALA H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1614,1626, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 109 VAL HB 110 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1614,1628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 VAL QG1 110 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1616,1617,1618,
&end
#
# 109 VAL QG1 112 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1616,1617,1618,
&end
#
# 109 VAL QG1 112 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1616,1617,1618,
igr2=1662,1663,1664,
&end
#
# 109 VAL QG2 110 ALA H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1620,1621,1622,
&end
#
# 109 VAL QG2 110 ALA HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1620,1621,1622,
&end
#
# 110 ALA H 110 ALA QB 3.64
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1630,1631,1632,
&end
#
# 110 ALA H 111 LYS H 3.47
&rst
ixpk= 0, nxpk= 0, iat=1626,1636, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 110 ALA H 112 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1662,1663,1664,
&end
#
# 110 ALA HA 112 ALA H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1628,1658, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 110 ALA HA 113 LEU H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1628,1668, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 111 LYS H 111 LYS HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1636,1640, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 111 LYS H 111 LYS HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat=1636,1641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 LYS H 111 LYS HD2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1636,1646, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 111 LYS H 111 LYS HG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1636,1643, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 111 LYS H 111 LYS HG3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1636,1644, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 111 LYS H 112 ALA H 3.29
&rst
ixpk= 0, nxpk= 0, iat=1636,1658, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 111 LYS H 112 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1662,1663,1664,
&end
#
# 111 LYS H 114 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1691,1692,1693,
&end
#
# 111 LYS HA 111 LYS HD2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1638,1646, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 111 LYS HA 111 LYS HD3 5.32
&rst
ixpk= 0, nxpk= 0, iat=1638,1647, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 111 LYS HA 111 LYS HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1638,1644, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 111 LYS HA 114 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1691,1692,1693,
&end
#
# 111 LYS HB2 111 LYS QE 5.01
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1649,1650,
&end
#
# 111 LYS HB2 112 ALA H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1640,1658, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 111 LYS HB3 111 LYS HD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1641,1646, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 111 LYS HB3 111 LYS HD3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1641,1647, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 111 LYS HB3 111 LYS QE 4.87
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1649,1650,
&end
#
# 111 LYS HB3 112 ALA H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1641,1658, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 111 LYS HB3 112 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1662,1663,1664,
&end
#
# 111 LYS HG3 111 LYS QE 3.93
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1649,1650,
&end
#
# 112 ALA H 112 ALA QB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1662,1663,1664,
&end
#
# 112 ALA H 113 LEU H 3.32
&rst
ixpk= 0, nxpk= 0, iat=1658,1668, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 112 ALA HA 113 LEU HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1660,1670, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 112 ALA QB 113 LEU H 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1662,1663,1664,
&end
#
# 112 ALA QB 113 LEU QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1662,1663,1664,
igr2=1677,1678,1679,
&end
#
# 113 LEU H 113 LEU HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1668,1672, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 113 LEU H 113 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1677,1678,1679,
&end
#
# 113 LEU H 113 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1681,1682,1683,
&end
#
# 113 LEU H 114 ALA H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1668,1687, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 113 LEU H 114 ALA QB 4.93
&rst
ixpk= 0, nxpk= 0, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1691,1692,1693,
&end
#
# 113 LEU HA 113 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1677,1678,1679,
&end
#
# 113 LEU HA 113 LEU QD2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1681,1682,1683,
&end
#
# 113 LEU HA 116 LEU H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1670,1707, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 113 LEU HA 116 LEU HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1670,1709, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 113 LEU HA 116 LEU HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=1670,1711, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 113 LEU HA 116 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1716,1717,1718,
&end
#
# 113 LEU HB2 113 LEU QD1 3.10
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1677,1678,1679,
&end
#
# 113 LEU HB2 114 ALA H 3.68
&rst
ixpk= 0, nxpk= 0, iat=1672,1687, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 113 LEU HB3 113 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1677,1678,1679,
&end
#
# 113 LEU HB3 114 ALA H 3.99
&rst
ixpk= 0, nxpk= 0, iat=1673,1687, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 113 LEU HB3 114 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1673,1689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 LEU QD1 114 ALA H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1677,1678,1679,
&end
#
# 113 LEU QD1 114 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1677,1678,1679,
igr2=1691,1692,1693,
&end
#
# 113 LEU QD2 116 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1681,1682,1683,
&end
#
# 113 LEU QD2 116 LEU HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1681,1682,1683,
&end
#
# 114 ALA H 114 ALA QB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1691,1692,1693,
&end
#
# 114 ALA H 115 ALA H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1687,1697, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 114 ALA H 115 ALA QB 4.98
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1701,1702,1703,
&end
#
# 114 ALA H 116 LEU H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1687,1707, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 114 ALA HA 116 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1689,1707, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 114 ALA HA 117 LEU HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1689,1730, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 114 ALA HA 117 LEU QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1739,1740,1741,
&end
#
# 114 ALA QB 115 ALA H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1691,1692,1693,
&end
#
# 114 ALA QB 115 ALA HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1691,1692,1693,
&end
#
# 114 ALA QB 118 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1691,1692,1693,
igr2=1751,1752,1753,
&end
#
# 115 ALA H 115 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1701,1702,1703,
&end
#
# 115 ALA H 116 LEU H 3.70
&rst
ixpk= 0, nxpk= 0, iat=1697,1707, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 115 ALA H 118 VAL QG1 5.49
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1751,1752,1753,
&end
#
# 115 ALA HA 118 VAL HB 4.79
&rst
ixpk= 0, nxpk= 0, iat=1699,1749, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 115 ALA HA 118 VAL QG1 3.60
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1751,1752,1753,
&end
#
# 115 ALA QB 116 LEU H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1701,1702,1703,
&end
#
# 115 ALA QB 116 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1701,1702,1703,
&end
#
# 115 ALA QB 118 VAL HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1701,1702,1703,
&end
#
# 115 ALA QB 118 VAL QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1701,1702,1703,
igr2=1751,1752,1753,
&end
#
# 115 ALA QB 118 VAL QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1701,1702,1703,
igr2=1755,1756,1757,
&end
#
# 116 LEU H 116 LEU HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat=1707,1711, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 116 LEU H 116 LEU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat=1707,1712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 116 LEU H 116 LEU HG 4.33
&rst
ixpk= 0, nxpk= 0, iat=1707,1714, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 116 LEU H 116 LEU QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1716,1717,1718,
&end
#
# 116 LEU H 116 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1720,1721,1722,
&end
#
# 116 LEU HA 116 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1716,1717,1718,
&end
#
# 116 LEU HA 116 LEU QD2 3.76
&rst
ixpk= 0, nxpk= 0, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1720,1721,1722,
&end
#
# 116 LEU HB2 116 LEU QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1716,1717,1718,
&end
#
# 116 LEU HB2 117 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1711,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 LEU HB2 117 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1735,1736,1737,
&end
#
# 116 LEU HB2 118 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1711,1745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LEU HB3 116 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1716,1717,1718,
&end
#
# 116 LEU HB3 116 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1720,1721,1722,
&end
#
# 116 LEU HB3 117 LEU H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1712,1726, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 116 LEU HB3 117 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1735,1736,1737,
&end
#
# 116 LEU QD2 117 LEU H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1720,1721,1722,
&end
#
# 117 LEU H 117 LEU HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat=1726,1730, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 117 LEU H 117 LEU HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1726,1731, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 117 LEU H 117 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1735,1736,1737,
&end
#
# 117 LEU H 117 LEU QD2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1739,1740,1741,
&end
#
# 117 LEU HA 117 LEU QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1735,1736,1737,
&end
#
# 117 LEU HA 117 LEU QD2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1739,1740,1741,
&end
#
# 117 LEU HA 118 VAL H 3.54
&rst
ixpk= 0, nxpk= 0, iat=1728,1745, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 117 LEU HB2 117 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1735,1736,1737,
&end
#
# 117 LEU HB2 117 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1739,1740,1741,
&end
#
# 117 LEU HB2 118 VAL H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1730,1745, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 117 LEU HB2 118 VAL QG1 5.07
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1751,1752,1753,
&end
#
# 117 LEU HB3 117 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1739,1740,1741,
&end
#
# 117 LEU HB3 118 VAL H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1731,1745, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 117 LEU HB3 118 VAL HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=1731,1747, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 117 LEU QD1 118 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1735,1736,1737,
&end
#
# 118 VAL H 118 VAL HB 3.79
&rst
ixpk= 0, nxpk= 0, iat=1745,1749, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 118 VAL H 118 VAL QG1 3.88
&rst
ixpk= 0, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1751,1752,1753,
&end
#
# 118 VAL HA 118 VAL QG1 3.10
&rst
ixpk= 0, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1751,1752,1753,
&end
#
# 118 VAL HA 118 VAL QG2 3.10
&rst
ixpk= 0, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1755,1756,1757,
&end
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