NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
647025 |
6jpp   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 5 PRO HA 6 ALA HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 66, 70, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 5 PRO HB2 6 ALA HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 63, 70, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 5 PRO HB3 6 ALA HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 64, 70, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 6 ALA HA 7 ASP- HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 72, 80, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 6 ALA HA 8 ILE HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 72, 92, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 6 ALA HN 6 ALA QB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 74, 75, 76,
&end
#
# 6 ALA QB 7 ASP- HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 74, 75, 76,
&end
#
# 6 ALA QB 8 ILE HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 74, 75, 76,
&end
#
# 7 ASP- HA 8 ILE HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 82, 92, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 7 ASP- HN 7 ASP- HB2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 80, 84, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 7 ASP- HN 7 ASP- HB3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 80, 85, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 7 ASP- HN 8 ILE HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 80, 92, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 7 ASP- HB2 27 GLN HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 84, 403, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 7 ASP- HB3 8 ILE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 85, 92, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 8 ILE HA 9 VAL HN 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 94, 111, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 8 ILE HA 27 GLN HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 94, 403, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 8 ILE HB 9 VAL HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 96, 111, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 8 ILE HN 8 ILE HB 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 8 ILE HN 8 ILE HG13 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 92, 103, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 8 ILE HN 9 VAL HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 92, 111, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 8 ILE HN 26 ASP- HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 92, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ILE QD1 27 GLN HN 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 105, 106, 107,
&end
#
# 8 ILE QG2 24 GLU- HN 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 98, 99, 100,
&end
#
# 8 ILE QG2 24 GLU- HB2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 98, 99, 100,
&end
#
# 8 ILE QG2 26 ASP- HB2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 98, 99, 100,
&end
#
# 8 ILE QG2 26 ASP- HB3 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 98, 99, 100,
&end
#
# 8 ILE HG12 9 VAL HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 102, 111, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 8 ILE HG12 26 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 102, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ILE HG12 27 GLN HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 102, 403, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 8 ILE HG13 9 VAL HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 103, 111, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 9 VAL HA 9 VAL QG1 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 117, 118, 119,
&end
#
# 9 VAL HA 10 LYS+ HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 113, 127, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 9 VAL HA 72 ASN QB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1134,1135,
&end
#
# 9 VAL HB 11 VAL QG1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 155, 156, 157,
&end
#
# 9 VAL HB 27 GLN HE21 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 115, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 VAL HB 73 GLY HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 115,1144, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 9 VAL HN 9 VAL HB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 111, 115, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 9 VAL HN 9 VAL QG1 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 117, 118, 119,
&end
#
# 9 VAL HN 25 ILE HB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 111, 376, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 9 VAL HN 25 ILE HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 111, 372, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 9 VAL HN 25 ILE QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 378, 379, 380,
&end
#
# 9 VAL HN 26 ASP- HA 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 111, 393, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 9 VAL QG1 10 LYS+ HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 117, 118, 119,
&end
#
# 9 VAL QG1 72 ASN QB 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 117, 118, 119,
igr2=1134,1135,
&end
#
# 9 VAL QG2 27 GLN HE21 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 121, 122, 123,
&end
#
# 9 VAL QG2 27 GLN HE22 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 121, 122, 123,
&end
#
# 10 LYS+ HA 11 VAL HN 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat= 129, 149, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 10 LYS+ HA 11 VAL QG1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 155, 156, 157,
&end
#
# 10 LYS+ HA 11 VAL QG2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 159, 160, 161,
&end
#
# 10 LYS+ HA 24 GLU- HA 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 129, 359, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 10 LYS+ HA 24 GLU- HG2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 129, 364, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 10 LYS+ HA 25 ILE HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 129, 372, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 10 LYS+ HN 10 LYS+ QD 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 137, 138,
&end
#
# 10 LYS+ HN 72 ASN HA 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 127,1132, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 10 LYS+ HN 72 ASN QB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1134,1135,
&end
#
# 10 LYS+ HN 73 GLY HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 127,1144, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 10 LYS+ HB2 11 VAL HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 131, 149, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 10 LYS+ HB3 11 VAL HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 132, 149, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 10 LYS+ HG2 10 LYS+ QE 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 140, 141,
&end
#
# 10 LYS+ HG2 11 VAL HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 134, 149, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 10 LYS+ HG2 24 GLU- HG3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 134, 365, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 10 LYS+ HG3 10 LYS+ QE 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 140, 141,
&end
#
# 10 LYS+ HG3 11 VAL HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 135, 149, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 10 LYS+ HG3 24 GLU- HG3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 135, 365, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 VAL HA 11 VAL QG1 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 155, 156, 157,
&end
#
# 11 VAL HA 11 VAL QG2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 159, 160, 161,
&end
#
# 11 VAL HA 12 ALA HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 11 VAL HA 12 ALA QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 169, 170, 171,
&end
#
# 11 VAL HA 73 GLY HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 151,1144, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 11 VAL HA 74 THR HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 151,1151, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 11 VAL HB 12 ALA HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 11 VAL HB 12 ALA QB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 169, 170, 171,
&end
#
# 11 VAL HB 76 LEU HG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 153,1191, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 11 VAL HB 76 LEU HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 153,1184, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 11 VAL HB 76 LEU HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 153,1188, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 11 VAL HB 76 LEU QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1193,1194,1195,
&end
#
# 11 VAL HN 11 VAL QG1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 155, 156, 157,
&end
#
# 11 VAL HN 11 VAL QG2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 159, 160, 161,
&end
#
# 11 VAL HN 12 ALA HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 11 VAL HN 23 MET HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 149, 340, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 11 VAL HN 24 GLU- HA 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 149, 359, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 11 VAL HN 24 GLU- HG3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 VAL HN 25 ILE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 149, 372, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 11 VAL QG1 12 ALA HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 155, 156, 157,
&end
#
# 11 VAL QG1 25 ILE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 155, 156, 157,
&end
#
# 11 VAL QG1 73 GLY HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 155, 156, 157,
&end
#
# 11 VAL QG1 74 THR HB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 155, 156, 157,
&end
#
# 11 VAL QG1 74 THR HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 155, 156, 157,
&end
#
# 11 VAL QG1 76 LEU HG 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 155, 156, 157,
&end
#
# 11 VAL QG2 12 ALA HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 159, 160, 161,
&end
#
# 11 VAL QG2 12 ALA HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 159, 160, 161,
&end
#
# 11 VAL QG2 13 ILE HG13 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 159, 160, 161,
&end
#
# 11 VAL QG2 23 MET HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 159, 160, 161,
&end
#
# 11 VAL QG2 23 MET QE 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 159, 160, 161,
igr2= 351, 352, 353,
&end
#
# 12 ALA HA 13 ILE HB 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 167, 179, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 12 ALA HA 13 ILE HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 167, 175, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 12 ALA HA 13 ILE HG12 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 167, 185, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 12 ALA HA 13 ILE HG13 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 167, 186, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 12 ALA HA 21 LYS+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 167, 299, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 ALA HA 22 LEU HA 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 167, 323, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 12 ALA HA 22 LEU HG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 167, 328, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 12 ALA HA 23 MET HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 167, 340, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 ALA HN 12 ALA QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 169, 170, 171,
&end
#
# 12 ALA HN 13 ILE HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 165, 175, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 12 ALA HN 74 THR HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 165,1151, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 12 ALA HN 75 ILE HA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 165,1167, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 12 ALA HN 76 LEU HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 165,1184, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 12 ALA QB 13 ILE HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 169, 170, 171,
&end
#
# 12 ALA QB 13 ILE HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 169, 170, 171,
&end
#
# 12 ALA QB 20 PRO HA 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 169, 170, 171,
&end
#
# 12 ALA QB 20 PRO HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 169, 170, 171,
&end
#
# 12 ALA QB 20 PRO HB3 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 169, 170, 171,
&end
#
# 12 ALA QB 22 LEU HA 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 169, 170, 171,
&end
#
# 12 ALA QB 23 MET HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 169, 170, 171,
&end
#
# 12 ALA QB 75 ILE HA 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 169, 170, 171,
&end
#
# 12 ALA QB 76 LEU HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 169, 170, 171,
&end
#
# 13 ILE HA 13 ILE QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 188, 189, 190,
&end
#
# 13 ILE HA 13 ILE QG2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 181, 182, 183,
&end
#
# 13 ILE HA 13 ILE HG12 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 177, 185, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 13 ILE HA 13 ILE HG13 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 177, 186, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 ILE HA 14 GLU- HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 13 ILE HA 76 LEU HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 177,1184, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 ILE HA 76 LEU HB3 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 177,1189, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 13 ILE HA 77 ARG+ HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 177,1205, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 13 ILE HB 13 ILE QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 188, 189, 190,
&end
#
# 13 ILE HB 21 LYS+ HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 179, 299, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 13 ILE HB 21 LYS+ HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 179, 304, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 13 ILE HB 42 TRP HH2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 179, 654, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 13 ILE HB 42 TRP HZ2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 179, 652, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 13 ILE HB 42 TRP HZ3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 179, 656, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 13 ILE HN 13 ILE HB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 175, 179, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 13 ILE HN 13 ILE QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 188, 189, 190,
&end
#
# 13 ILE HN 13 ILE HG12 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 175, 185, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 13 ILE HN 13 ILE HG13 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 175, 186, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 13 ILE HN 21 LYS+ HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 175, 299, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 13 ILE HN 21 LYS+ HB3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 175, 304, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 13 ILE HN 22 LEU HA 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 175, 323, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 13 ILE HN 22 LEU QD2 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 334, 335, 336,
&end
#
# 13 ILE HN 75 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1171,1172,1173,
&end
#
# 13 ILE HN 76 LEU HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 175,1184, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 13 ILE QD1 14 GLU- HN 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 188, 189, 190,
&end
#
# 13 ILE QD1 21 LYS+ HB2 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 188, 189, 190,
&end
#
# 13 ILE QD1 21 LYS+ HB3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 188, 189, 190,
&end
#
# 13 ILE QD1 23 MET QE 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 188, 189, 190,
igr2= 351, 352, 353,
&end
#
# 13 ILE QD1 23 MET HB2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 188, 189, 190,
&end
#
# 13 ILE QD1 23 MET HB3 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 188, 189, 190,
&end
#
# 13 ILE QD1 42 TRP HH2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 188, 189, 190,
&end
#
# 13 ILE QD1 78 LEU HB2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 188, 189, 190,
&end
#
# 13 ILE QG2 14 GLU- HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 181, 182, 183,
&end
#
# 13 ILE QG2 42 TRP HH2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 181, 182, 183,
&end
#
# 13 ILE QG2 42 TRP HZ2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 181, 182, 183,
&end
#
# 13 ILE QG2 42 TRP HZ3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 181, 182, 183,
&end
#
# 13 ILE QG2 77 ARG+ HA 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 181, 182, 183,
&end
#
# 13 ILE QG2 78 LEU HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 181, 182, 183,
&end
#
# 13 ILE QG2 78 LEU HB2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 181, 182, 183,
&end
#
# 13 ILE QG2 78 LEU HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 181, 182, 183,
&end
#
# 13 ILE QG2 78 LEU QD2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 181, 182, 183,
igr2=1240,1241,1242,
&end
#
# 13 ILE HG13 23 MET HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 186, 340, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 14 GLU- HA 15 TRP HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 196, 209, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 14 GLU- HN 14 GLU- QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 198, 199,
&end
#
# 14 GLU- HN 14 GLU- HG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 14 GLU- HN 14 GLU- HG3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 194, 202, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 14 GLU- HN 15 TRP HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 194, 209, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 14 GLU- HN 75 ILE QG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1171,1172,1173,
&end
#
# 14 GLU- HN 76 LEU HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 194,1184, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 14 GLU- HN 77 ARG+ HA 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 194,1205, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 14 GLU- HN 78 LEU HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 194,1227, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 14 GLU- QB 15 TRP HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 198, 199,
&end
#
# 14 GLU- QB 75 ILE QG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 198, 199,
igr2=1171,1172,1173,
&end
#
# 14 GLU- QB 77 ARG+ HA 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 198, 199,
&end
#
# 14 GLU- QB 78 LEU HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 198, 199,
&end
#
# 14 GLU- HG2 75 ILE QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1171,1172,1173,
&end
#
# 14 GLU- HG2 77 ARG+ HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 201,1205, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 14 GLU- HG3 75 ILE QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1171,1172,1173,
&end
#
# 14 GLU- HG3 77 ARG+ HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 202,1205, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 15 TRP HA 15 TRP HD1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 211, 217, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 15 TRP HA 15 TRP HE3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 211, 228, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 15 TRP HA 16 PRO HD2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 211, 234, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 15 TRP HA 16 PRO HD3 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 211, 235, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 15 TRP HA 78 LEU HB3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 211,1232, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 15 TRP HN 15 TRP HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 209, 213, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 15 TRP HN 15 TRP HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 209, 214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 15 TRP HN 18 ALA QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 258, 259, 260,
&end
#
# 15 TRP HN 20 PRO HA 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 209, 295, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 15 TRP HN 42 TRP HH2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 TRP HB2 42 TRP HH2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 213, 654, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 15 TRP HB2 42 TRP HZ3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 213, 656, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 15 TRP HB3 42 TRP HH2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 214, 654, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 15 TRP HB3 42 TRP HZ3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 214, 656, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 15 TRP HD1 16 PRO HD2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 217, 234, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 15 TRP HD1 16 PRO HD3 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 217, 235, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 15 TRP HD1 18 ALA HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 217, 254, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 15 TRP HD1 18 ALA QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 258, 259, 260,
&end
#
# 15 TRP HD1 44 LEU QD1 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 683, 684, 685,
&end
#
# 15 TRP HD1 44 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 687, 688, 689,
&end
#
# 15 TRP HD1 78 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1240,1241,1242,
&end
#
# 15 TRP HE1 16 PRO HD2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 219, 234, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 15 TRP HE1 18 ALA QB 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 258, 259, 260,
&end
#
# 15 TRP HE1 44 LEU QD1 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 683, 684, 685,
&end
#
# 15 TRP HE1 44 LEU QD2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 687, 688, 689,
&end
#
# 15 TRP HE3 16 PRO HD2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 228, 234, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 15 TRP HE3 16 PRO HD3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 15 TRP HE3 78 LEU HG 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 228,1234, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 15 TRP HE3 78 LEU HB2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 228,1231, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 15 TRP HE3 78 LEU HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 228,1232, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 15 TRP HE3 78 LEU QD1 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1236,1237,1238,
&end
#
# 15 TRP HE3 78 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1240,1241,1242,
&end
#
# 15 TRP HE3 79 THR HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 228,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 TRP HH2 44 LEU QD1 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 683, 684, 685,
&end
#
# 15 TRP HH2 44 LEU QD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 687, 688, 689,
&end
#
# 15 TRP HH2 79 THR HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 224,1248, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 15 TRP HH2 80 THR QG2 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1266,1267,1268,
&end
#
# 15 TRP HZ2 44 LEU QD1 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 683, 684, 685,
&end
#
# 15 TRP HZ2 44 LEU QD2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 687, 688, 689,
&end
#
# 15 TRP HZ3 78 LEU HG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 226,1234, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 15 TRP HZ3 78 LEU QD2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1240,1241,1242,
&end
#
# 15 TRP HZ3 79 THR HA 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 226,1248, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 15 TRP HZ3 80 THR HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 226,1260, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 15 TRP HZ3 80 THR QG2 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1266,1267,1268,
&end
#
# 16 PRO HA 16 PRO QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 237, 238,
&end
#
# 16 PRO HA 18 ALA HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 16 PRO HD2 16 PRO QG 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 237, 238,
&end
#
# 16 PRO HD2 16 PRO HB2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 16 PRO HD2 16 PRO HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 234, 241, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 16 PRO HD3 16 PRO QG 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 237, 238,
&end
#
# 16 PRO HD3 16 PRO HB2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 16 PRO HD3 16 PRO HB3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 235, 241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 17 GLY HN 16 PRO HA 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 247, 243, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 17 GLY HN 18 ALA HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 247, 254, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 18 ALA HA 19 TYR HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 256, 264, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 18 ALA HA 19 TYR HB2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 256, 268, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 18 ALA HN 18 ALA QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 258, 259, 260,
&end
#
# 18 ALA QB 19 TYR HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 258, 259, 260,
&end
#
# 18 ALA QB 19 TYR QD 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 258, 259, 260,
igr2= 272, 281,
&end
#
# 18 ALA QB 19 TYR HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 258, 259, 260,
&end
#
# 18 ALA QB 19 TYR HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 258, 259, 260,
&end
#
# 18 ALA QB 42 TRP HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 258, 259, 260,
&end
#
# 18 ALA QB 42 TRP HD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 258, 259, 260,
&end
#
# 18 ALA QB 42 TRP HE1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 258, 259, 260,
&end
#
# 18 ALA QB 42 TRP HZ2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 258, 259, 260,
&end
#
# 19 TYR HA 19 TYR QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 272, 281,
&end
#
# 19 TYR HA 20 PRO HD2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 266, 286, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 19 TYR HA 20 PRO HD3 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 266, 287, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 19 TYR HN 19 TYR QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 272, 281,
&end
#
# 19 TYR HN 19 TYR HB2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 264, 268, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 19 TYR HN 19 TYR HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 264, 269, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 19 TYR QD 20 PRO HD2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 272, 281,
&end
#
# 19 TYR QD 20 PRO HD3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 272, 281,
&end
#
# 19 TYR HB2 20 PRO HD2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 268, 286, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 19 TYR HB2 20 PRO HD3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 268, 287, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 19 TYR HB3 20 PRO HD2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 269, 286, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 19 TYR HB3 20 PRO HD3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 269, 287, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 20 PRO HA 21 LYS+ HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 295, 299, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 20 PRO HA 21 LYS+ HB2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 295, 303, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 20 PRO HA 42 TRP HH2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 295, 654, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 PRO HA 42 TRP HZ2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 295, 652, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 20 PRO HB2 21 LYS+ HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 292, 299, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 20 PRO HB2 22 LEU QD2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 334, 335, 336,
&end
#
# 20 PRO HB2 75 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1171,1172,1173,
&end
#
# 20 PRO HB3 21 LYS+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 293, 299, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 PRO HB3 75 ILE QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1171,1172,1173,
&end
#
# 20 PRO HD2 20 PRO HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 286, 292, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 20 PRO HD2 20 PRO HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 286, 293, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 20 PRO HD3 20 PRO HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 20 PRO HD3 20 PRO HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 287, 293, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 21 LYS+ HA 21 LYS+ HD2 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 301, 309, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 21 LYS+ HA 21 LYS+ HG3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 301, 307, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 21 LYS+ HA 22 LEU HN 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat= 301, 321, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 21 LYS+ HN 21 LYS+ HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 299, 303, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 21 LYS+ HN 21 LYS+ HB3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 LYS+ HN 21 LYS+ HG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 299, 306, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 LYS+ HN 21 LYS+ HG3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 299, 307, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 21 LYS+ HN 42 TRP HH2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 299, 654, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 21 LYS+ HN 42 TRP HZ2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 299, 652, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 21 LYS+ HB2 22 LEU HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 303, 321, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 21 LYS+ HB2 38 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 599, 600, 601,
&end
#
# 21 LYS+ HB2 42 TRP HE1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 303, 649, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 21 LYS+ HB2 42 TRP HH2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 303, 654, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 21 LYS+ HB2 42 TRP HZ2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 303, 652, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 21 LYS+ HB3 22 LEU HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 304, 321, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 21 LYS+ HB3 38 VAL QG1 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 599, 600, 601,
&end
#
# 21 LYS+ HB3 42 TRP HH2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 304, 654, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 21 LYS+ HB3 42 TRP HZ2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 304, 652, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 21 LYS+ HE2 38 VAL QG2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 603, 604, 605,
&end
#
# 21 LYS+ HE3 38 VAL QG2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 603, 604, 605,
&end
#
# 21 LYS+ HG2 21 LYS+ HE2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 306, 312, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 21 LYS+ HG2 21 LYS+ HE3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 306, 313, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 21 LYS+ HG2 22 LEU HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 306, 321, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 21 LYS+ HG2 23 MET HB2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 306, 344, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 21 LYS+ HG2 42 TRP HH2 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 306, 654, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 21 LYS+ HG2 42 TRP HZ2 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 306, 652, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 21 LYS+ HG3 22 LEU HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 307, 321, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 LYS+ HG3 23 MET HB3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 307, 345, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 LEU HA 22 LEU QD2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 334, 335, 336,
&end
#
# 22 LEU HA 23 MET HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 323, 340, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 22 LEU HG 23 MET HN 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 328, 340, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 22 LEU HN 22 LEU HG 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 321, 328, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 22 LEU HN 22 LEU HB2 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 22 LEU HN 22 LEU HB3 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 22 LEU HN 22 LEU QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 330, 331, 332,
&end
#
# 22 LEU HN 22 LEU QD2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 334, 335, 336,
&end
#
# 22 LEU HB2 23 MET HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 325, 340, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 LEU HB3 23 MET HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 326, 340, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 LEU QD2 23 MET HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 334, 335, 336,
&end
#
# 23 MET HN 23 MET HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 340, 344, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 23 MET HN 23 MET HB3 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 340, 345, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 23 MET HN 23 MET HG2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 340, 347, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 23 MET HN 23 MET HG3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 340, 348, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 23 MET HN 24 GLU- HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 340, 357, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 23 MET QE 24 GLU- HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 351, 352, 353,
&end
#
# 23 MET QE 34 ILE HA 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 351, 352, 353,
&end
#
# 23 MET QE 34 ILE QG2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 351, 352, 353,
igr2= 524, 525, 526,
&end
#
# 23 MET QE 37 GLU- HN 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 351, 352, 353,
&end
#
# 23 MET QE 38 VAL HA 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 351, 352, 353,
&end
#
# 23 MET QE 38 VAL HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 351, 352, 353,
&end
#
# 23 MET QE 38 VAL QG2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 351, 352, 353,
igr2= 603, 604, 605,
&end
#
# 23 MET HB2 24 GLU- HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 344, 357, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 23 MET HB2 34 ILE QG2 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 524, 525, 526,
&end
#
# 23 MET HB3 24 GLU- HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 345, 357, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 23 MET HG2 24 GLU- HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 23 MET HG2 25 ILE HG13 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 347, 383, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 23 MET HG3 24 GLU- HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 348, 357, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 23 MET HG3 25 ILE HG13 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 348, 383, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 24 GLU- HA 25 ILE HN 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 359, 372, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 24 GLU- HN 24 GLU- HB2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 357, 361, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 24 GLU- HN 24 GLU- HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 357, 362, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 24 GLU- HN 24 GLU- HG2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 357, 364, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 24 GLU- HN 24 GLU- HG3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 357, 365, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 24 GLU- HN 25 ILE HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 357, 372, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 24 GLU- HN 34 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 524, 525, 526,
&end
#
# 24 GLU- HB2 25 ILE HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 24 GLU- HB3 25 ILE HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 362, 372, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 24 GLU- HG2 25 ILE HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 364, 372, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 24 GLU- HG3 25 ILE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 365, 372, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 25 ILE HA 25 ILE QD1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 385, 386, 387,
&end
#
# 25 ILE HA 25 ILE QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 378, 379, 380,
&end
#
# 25 ILE HA 25 ILE HG12 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 374, 382, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 25 ILE HA 25 ILE HG13 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 374, 383, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 25 ILE HA 26 ASP- HN 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 25 ILE HA 26 ASP- HB2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 374, 395, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 25 ILE HA 26 ASP- HB3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 374, 396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ILE HA 34 ILE QD1 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 531, 532, 533,
&end
#
# 25 ILE HB 25 ILE QD1 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 385, 386, 387,
&end
#
# 25 ILE HB 26 ASP- HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 25 ILE HN 25 ILE HB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 25 ILE HN 25 ILE QD1 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 385, 386, 387,
&end
#
# 25 ILE HN 25 ILE QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 378, 379, 380,
&end
#
# 25 ILE HN 25 ILE HG12 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 25 ILE HN 25 ILE HG13 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 372, 383, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 25 ILE QD1 26 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 25 ILE QG2 25 ILE HG12 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 378, 379, 380,
&end
#
# 25 ILE QG2 25 ILE HG13 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 378, 379, 380,
&end
#
# 25 ILE QG2 26 ASP- HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 378, 379, 380,
&end
#
# 25 ILE HG12 26 ASP- HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 382, 391, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 26 ASP- HA 27 GLN HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 393, 403, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 26 ASP- HN 26 ASP- HB2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 26 ASP- HN 26 ASP- HB3 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 26 ASP- HN 29 LYS+ QB 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 446, 447,
&end
#
# 26 ASP- HN 29 LYS+ QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 452, 453,
&end
#
# 26 ASP- HN 29 LYS+ QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 449, 450,
&end
#
# 26 ASP- HN 34 ILE QD1 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 531, 532, 533,
&end
#
# 26 ASP- HB2 27 GLN HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 26 ASP- HB2 28 LYS+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 395, 420, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 ASP- HB2 29 LYS+ HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 395, 442, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 26 ASP- HB2 29 LYS+ QB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 446, 447,
&end
#
# 26 ASP- HB2 29 LYS+ QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 452, 453,
&end
#
# 26 ASP- HB2 29 LYS+ QG 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 449, 450,
&end
#
# 26 ASP- HB3 27 GLN HN 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 396, 403, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 26 ASP- HB3 28 LYS+ HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 396, 420, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 26 ASP- HB3 29 LYS+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 396, 442, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 ASP- HB3 29 LYS+ QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 446, 447,
&end
#
# 26 ASP- HB3 29 LYS+ QD 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 452, 453,
&end
#
# 26 ASP- HB3 29 LYS+ QG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 449, 450,
&end
#
# 27 GLN HN 27 GLN HG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 403, 410, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 27 GLN HN 27 GLN HG3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 403, 411, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 27 GLN HN 28 LYS+ HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 403, 420, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 27 GLN HB2 27 GLN HE21 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 407, 415, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 27 GLN HB3 27 GLN HE21 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 408, 415, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 27 GLN HE21 67 ARG+ HE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 415,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLN HE21 68 ASN HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 415,1062, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 27 GLN HE21 70 ILE HB 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 415,1093, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 27 GLN HE22 67 ARG+ HE 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 416,1049, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 27 GLN HE22 67 ARG+ HB2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 416,1040, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 27 GLN HE22 68 ASN HA 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 416,1062, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 27 GLN HE22 70 ILE HB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 416,1093, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 GLN HE22 70 ILE HN 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 416,1089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 28 LYS+ HA 28 LYS+ QB 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 424, 425,
&end
#
# 28 LYS+ HA 28 LYS+ QE 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 433, 434,
&end
#
# 28 LYS+ HA 28 LYS+ HD2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 422, 430, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 28 LYS+ HA 28 LYS+ HD3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 422, 431, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 28 LYS+ HN 28 LYS+ QB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 424, 425,
&end
#
# 28 LYS+ HN 28 LYS+ HG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 LYS+ HN 28 LYS+ HG3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 LYS+ HN 29 LYS+ HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 28 LYS+ QB 28 LYS+ QE 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 424, 425,
igr2= 433, 434,
&end
#
# 28 LYS+ QB 29 LYS+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 424, 425,
&end
#
# 29 LYS+ HA 29 LYS+ QG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 449, 450,
&end
#
# 29 LYS+ HA 30 PRO QG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 468, 469,
&end
#
# 29 LYS+ HA 30 PRO HD2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 444, 465, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 29 LYS+ HA 30 PRO HD3 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 444, 466, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 29 LYS+ HN 29 LYS+ QB 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 446, 447,
&end
#
# 29 LYS+ HN 29 LYS+ QG 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 449, 450,
&end
#
# 29 LYS+ HN 30 PRO HD2 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 442, 465, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 29 LYS+ HN 30 PRO HD3 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 442, 466, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 29 LYS+ HN 34 ILE QD1 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 531, 532, 533,
&end
#
# 29 LYS+ QB 30 PRO HD2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 446, 447,
&end
#
# 29 LYS+ QB 30 PRO HD3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 446, 447,
&end
#
# 29 LYS+ QB 34 ILE QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 446, 447,
igr2= 531, 532, 533,
&end
#
# 29 LYS+ QD 30 PRO HD2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 452, 453,
&end
#
# 29 LYS+ QD 34 ILE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 452, 453,
&end
#
# 29 LYS+ QD 34 ILE QD1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 452, 453,
igr2= 531, 532, 533,
&end
#
# 29 LYS+ QG 30 PRO QG 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 449, 450,
igr2= 468, 469,
&end
#
# 29 LYS+ QG 30 PRO HD3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 449, 450,
&end
#
# 29 LYS+ HE2 33 ALA QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 512, 513, 514,
&end
#
# 29 LYS+ HE3 33 ALA QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 512, 513, 514,
&end
#
# 30 PRO HA 30 PRO QG 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 468, 469,
&end
#
# 30 PRO HA 31 LEU HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 30 PRO HA 31 LEU HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 474, 482, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 30 PRO HA 31 LEU QD1 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 487, 488, 489,
&end
#
# 30 PRO HA 32 SER HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 474, 497, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 30 PRO QG 31 LEU HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 468, 469,
&end
#
# 30 PRO QG 32 SER HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 468, 469,
&end
#
# 30 PRO QG 33 ALA HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 468, 469,
&end
#
# 30 PRO QG 33 ALA QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 468, 469,
igr2= 512, 513, 514,
&end
#
# 30 PRO QG 34 ILE QD1 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 468, 469,
igr2= 531, 532, 533,
&end
#
# 30 PRO HB2 31 LEU HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 471, 478, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 30 PRO HB2 32 SER HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 471, 497, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 30 PRO HB2 32 SER HB2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 471, 501, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 PRO HB2 32 SER HB3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 471, 502, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 PRO HB2 33 ALA HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 471, 508, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 30 PRO HB2 33 ALA QB 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 512, 513, 514,
&end
#
# 30 PRO HB3 31 LEU HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 472, 478, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 PRO HB3 32 SER HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 472, 497, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 30 PRO HB3 33 ALA HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 472, 508, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 30 PRO HB3 33 ALA QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 512, 513, 514,
&end
#
# 30 PRO HD2 30 PRO HB3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 465, 472, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 30 PRO HD2 33 ALA HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 465, 508, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 30 PRO HD3 30 PRO QG 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 468, 469,
&end
#
# 30 PRO HD3 30 PRO HB3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 466, 472, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 30 PRO HD3 33 ALA QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 512, 513, 514,
&end
#
# 31 LEU HA 31 LEU HG 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 480, 485, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 31 LEU HA 31 LEU QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 487, 488, 489,
&end
#
# 31 LEU HA 31 LEU QD2 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 491, 492, 493,
&end
#
# 31 LEU HA 33 ALA HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 480, 508, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 31 LEU HA 34 ILE HB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 480, 522, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 31 LEU HA 34 ILE HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 480, 518, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 31 LEU HA 34 ILE QD1 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 531, 532, 533,
&end
#
# 31 LEU HA 34 ILE QG2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 524, 525, 526,
&end
#
# 31 LEU HA 34 ILE HG12 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 480, 528, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 31 LEU HA 34 ILE HG13 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 480, 529, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 31 LEU HA 35 ILE HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 480, 537, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 31 LEU HG 32 SER HN 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 485, 497, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 31 LEU HN 31 LEU HG 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 478, 485, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 LEU HN 31 LEU HB2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 478, 482, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 31 LEU HN 31 LEU HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 31 LEU HN 31 LEU QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 487, 488, 489,
&end
#
# 31 LEU HN 31 LEU QD2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 491, 492, 493,
&end
#
# 31 LEU HN 32 SER HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 478, 497, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 31 LEU HN 34 ILE QD1 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 531, 532, 533,
&end
#
# 31 LEU HB2 32 SER HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 482, 497, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 31 LEU HB2 64 GLU- HG2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 482, 992, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 LEU HB2 64 GLU- HG3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 482, 993, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 LEU HB3 31 LEU QD2 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 491, 492, 493,
&end
#
# 31 LEU HB3 32 SER HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 483, 497, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 31 LEU QD1 32 SER HN 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 63 THR HA 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 63 THR HB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 63 THR HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 63 THR QG2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 487, 488, 489,
igr2= 977, 978, 979,
&end
#
# 31 LEU QD1 64 GLU- HA 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 64 GLU- HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 64 GLU- HG2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 64 GLU- HG3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 67 ARG+ HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 67 ARG+ HE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 67 ARG+ HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 67 ARG+ HB3 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 67 ARG+ HD2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD1 67 ARG+ HD3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD2 32 SER HN 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 491, 492, 493,
&end
#
# 31 LEU QD2 62 ILE HB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 491, 492, 493,
&end
#
# 31 LEU QD2 62 ILE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 491, 492, 493,
&end
#
# 31 LEU QD2 67 ARG+ HE 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 491, 492, 493,
&end
#
# 32 SER HA 35 ILE HB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 499, 541, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 32 SER HA 35 ILE HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 499, 537, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 32 SER HA 35 ILE QD1 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 550, 551, 552,
&end
#
# 32 SER HA 35 ILE QG2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 543, 544, 545,
&end
#
# 32 SER HA 35 ILE HG12 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 499, 547, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 32 SER HN 32 SER HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 497, 501, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 32 SER HN 32 SER HB3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 497, 502, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 32 SER HN 33 ALA HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 497, 508, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 32 SER HN 34 ILE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 497, 518, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 32 SER HN 35 ILE QD1 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 550, 551, 552,
&end
#
# 32 SER HN 35 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 497, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HB2 33 ALA HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 501, 508, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 32 SER HB3 33 ALA HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 502, 508, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 33 ALA HA 36 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 510, 558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ALA HA 36 LYS+ HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 510, 556, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 33 ALA HA 36 LYS+ QD 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 566, 567,
&end
#
# 33 ALA HA 36 LYS+ HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 510, 560, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 33 ALA HA 36 LYS+ HB3 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 510, 561, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 33 ALA HA 37 GLU- HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 510, 578, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 33 ALA HN 33 ALA QB 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 512, 513, 514,
&end
#
# 33 ALA HN 34 ILE HB 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 33 ALA HN 34 ILE HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 33 ALA HN 35 ILE HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 508, 537, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 33 ALA QB 34 ILE HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 512, 513, 514,
&end
#
# 34 ILE HA 34 ILE QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 524, 525, 526,
&end
#
# 34 ILE HA 34 ILE HG12 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 520, 528, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 34 ILE HA 34 ILE HG13 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 520, 529, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 34 ILE HA 36 LYS+ HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 520, 561, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ILE HA 37 GLU- HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 520, 578, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 34 ILE HA 37 GLU- HB2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 520, 582, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 ILE HA 37 GLU- HB3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 520, 583, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 ILE HA 38 VAL HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 520, 593, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 34 ILE HA 38 VAL QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 603, 604, 605,
&end
#
# 34 ILE HB 34 ILE QD1 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 531, 532, 533,
&end
#
# 34 ILE HB 35 ILE HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 522, 537, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 34 ILE HB 36 LYS+ HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 522, 556, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 34 ILE HN 34 ILE HB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 34 ILE HN 34 ILE QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 531, 532, 533,
&end
#
# 34 ILE HN 34 ILE QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 524, 525, 526,
&end
#
# 34 ILE HN 34 ILE HG12 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 518, 528, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 34 ILE HN 34 ILE HG13 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 518, 529, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 34 ILE HN 35 ILE HB 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 518, 541, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 34 ILE HN 35 ILE HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 518, 537, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 34 ILE HN 35 ILE HG13 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 518, 548, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 34 ILE QG2 34 ILE HG12 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 524, 525, 526,
&end
#
# 34 ILE QG2 34 ILE HG13 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 524, 525, 526,
&end
#
# 34 ILE QG2 35 ILE HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 524, 525, 526,
&end
#
# 34 ILE QG2 37 GLU- HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 524, 525, 526,
&end
#
# 34 ILE QG2 38 VAL HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 524, 525, 526,
&end
#
# 34 ILE HG12 35 ILE HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 528, 537, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 34 ILE HG13 35 ILE HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 529, 537, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 35 ILE HA 35 ILE QD1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 550, 551, 552,
&end
#
# 35 ILE HA 35 ILE QG2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 543, 544, 545,
&end
#
# 35 ILE HA 35 ILE HG12 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 539, 547, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 35 ILE HA 35 ILE HG13 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 539, 548, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 35 ILE HA 37 GLU- HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 539, 578, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 35 ILE HA 38 VAL HB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 539, 597, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 35 ILE HA 38 VAL HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 539, 593, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 35 ILE HA 38 VAL QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 603, 604, 605,
&end
#
# 35 ILE HB 36 LYS+ HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 35 ILE HB 47 HIS HD2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 541, 730, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 35 ILE HN 35 ILE HB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 537, 541, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 35 ILE HN 35 ILE QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 550, 551, 552,
&end
#
# 35 ILE HN 35 ILE QG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 543, 544, 545,
&end
#
# 35 ILE HN 35 ILE HG12 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 537, 547, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 35 ILE HN 35 ILE HG13 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 537, 548, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 35 ILE HN 36 LYS+ HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 537, 556, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 35 ILE HN 37 GLU- HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 537, 578, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 35 ILE QD1 51 ALA HA 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 550, 551, 552,
&end
#
# 35 ILE QD1 52 LEU HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 550, 551, 552,
&end
#
# 35 ILE QG2 36 LYS+ HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 543, 544, 545,
&end
#
# 35 ILE QG2 47 HIS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 543, 544, 545,
&end
#
# 35 ILE QG2 47 HIS HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 543, 544, 545,
&end
#
# 35 ILE QG2 47 HIS HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 543, 544, 545,
&end
#
# 35 ILE QG2 47 HIS HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 543, 544, 545,
&end
#
# 35 ILE QG2 50 PHE HA 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 543, 544, 545,
&end
#
# 35 ILE QG2 50 PHE HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 543, 544, 545,
&end
#
# 35 ILE QG2 50 PHE QD 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 543, 544, 545,
igr2= 778, 786,
&end
#
# 35 ILE QG2 50 PHE HB2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 543, 544, 545,
&end
#
# 35 ILE QG2 51 ALA HA 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 543, 544, 545,
&end
#
# 36 LYS+ HA 36 LYS+ QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 566, 567,
&end
#
# 36 LYS+ HA 36 LYS+ HG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 36 LYS+ HA 36 LYS+ HG3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 558, 564, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 36 LYS+ HA 39 CYS HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 558, 609, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 36 LYS+ HA 40 ASP- HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 558, 620, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 36 LYS+ HA 47 HIS HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 558, 721, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 36 LYS+ HA 47 HIS HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 558, 722, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 36 LYS+ HA 47 HIS HD2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 558, 730, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 36 LYS+ HN 36 LYS+ QD 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 566, 567,
&end
#
# 36 LYS+ HN 36 LYS+ HB2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 36 LYS+ HN 36 LYS+ HB3 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 556, 561, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 36 LYS+ HN 36 LYS+ HG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 556, 563, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 36 LYS+ HN 36 LYS+ HG3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 556, 564, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 36 LYS+ HN 37 GLU- HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 556, 578, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 36 LYS+ HN 47 HIS HD2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 556, 730, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 36 LYS+ QD 37 GLU- HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 566, 567,
&end
#
# 36 LYS+ QD 47 HIS HD2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 566, 567,
&end
#
# 36 LYS+ QD 47 HIS HE1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 566, 567,
&end
#
# 36 LYS+ QE 47 HIS HE1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 569, 570,
&end
#
# 36 LYS+ HB2 36 LYS+ QD 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 566, 567,
&end
#
# 36 LYS+ HB2 37 GLU- HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 560, 578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 36 LYS+ HB2 47 HIS HD2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 560, 730, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 36 LYS+ HB2 47 HIS HE1 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 560, 726, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 36 LYS+ HB3 36 LYS+ QD 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 566, 567,
&end
#
# 36 LYS+ HB3 37 GLU- HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 561, 578, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 36 LYS+ HB3 47 HIS HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 561, 730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LYS+ HB3 47 HIS HE1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 561, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LYS+ HG2 36 LYS+ QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 569, 570,
&end
#
# 36 LYS+ HG2 37 GLU- HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 563, 580, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 36 LYS+ HG2 37 GLU- HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 563, 578, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 36 LYS+ HG3 36 LYS+ QE 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 569, 570,
&end
#
# 36 LYS+ HG3 37 GLU- HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 564, 578, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 36 LYS+ HG3 47 HIS HD2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 564, 730, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 36 LYS+ HG3 47 HIS HE1 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 564, 726, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 37 GLU- HA 37 GLU- HG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 37 GLU- HA 37 GLU- HG3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 580, 586, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 37 GLU- HA 40 ASP- HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 580, 620, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 37 GLU- HA 40 ASP- HB2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 580, 624, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 37 GLU- HA 40 ASP- HB3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 580, 625, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 37 GLU- HN 37 GLU- HB2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 37 GLU- HN 37 GLU- HB3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 37 GLU- HN 37 GLU- HG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 578, 585, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 37 GLU- HN 37 GLU- HG3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 578, 586, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 37 GLU- HN 38 VAL HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 578, 593, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 37 GLU- HN 38 VAL QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 603, 604, 605,
&end
#
# 37 GLU- HN 39 CYS HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 578, 609, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 37 GLU- HB2 38 VAL HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 582, 593, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 37 GLU- HB3 38 VAL HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 583, 593, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 38 VAL HA 38 VAL QG1 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 599, 600, 601,
&end
#
# 38 VAL HA 38 VAL QG2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 603, 604, 605,
&end
#
# 38 VAL HA 41 GLY HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 595, 632, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 38 VAL HB 39 CYS HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 597, 609, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 38 VAL HN 38 VAL HB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 38 VAL HN 38 VAL QG1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 599, 600, 601,
&end
#
# 38 VAL HN 38 VAL QG2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 603, 604, 605,
&end
#
# 38 VAL HN 39 CYS HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 593, 609, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 38 VAL QG1 39 CYS HA 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 599, 600, 601,
&end
#
# 38 VAL QG1 42 TRP HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 599, 600, 601,
&end
#
# 38 VAL QG1 42 TRP HB2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 599, 600, 601,
&end
#
# 38 VAL QG1 42 TRP HE3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 599, 600, 601,
&end
#
# 38 VAL QG1 42 TRP HH2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 599, 600, 601,
&end
#
# 38 VAL QG1 42 TRP HZ3 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 599, 600, 601,
&end
#
# 38 VAL QG1 78 LEU HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 599, 600, 601,
&end
#
# 38 VAL QG1 78 LEU QD2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 599, 600, 601,
igr2=1240,1241,1242,
&end
#
# 38 VAL QG2 39 CYS HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 603, 604, 605,
&end
#
# 39 CYS HA 42 TRP HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 611, 639, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 39 CYS HA 42 TRP HB2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 611, 643, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 39 CYS HA 42 TRP HE3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 611, 658, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 39 CYS HA 44 LEU HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 611, 674, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 39 CYS HA 44 LEU HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 611, 678, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 39 CYS HA 44 LEU HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 611, 679, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 39 CYS HA 44 LEU QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 683, 684, 685,
&end
#
# 39 CYS HA 78 LEU QD1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1236,1237,1238,
&end
#
# 39 CYS HA 78 LEU QD2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1240,1241,1242,
&end
#
# 39 CYS HN 39 CYS HG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 39 CYS HN 39 CYS HB2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 609, 613, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 39 CYS HN 39 CYS HB3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 609, 614, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 39 CYS HN 40 ASP- HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 609, 620, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 39 CYS HB2 40 ASP- HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 613, 620, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 CYS HB2 44 LEU HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 613, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 CYS HB2 44 LEU HB2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 613, 678, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 39 CYS HB2 44 LEU HB3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 613, 679, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 CYS HB3 40 ASP- HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 614, 620, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 CYS HB3 44 LEU HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 614, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 CYS HB3 44 LEU HB2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 614, 678, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 39 CYS HB3 44 LEU HB3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 614, 679, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 40 ASP- HA 42 TRP HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 622, 639, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 40 ASP- HA 43 SER HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 622, 665, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 40 ASP- HA 43 SER HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 622, 663, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 40 ASP- HA 44 LEU HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 622, 674, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 40 ASP- HN 40 ASP- HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 620, 624, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 40 ASP- HN 40 ASP- HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 620, 625, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 40 ASP- HN 41 GLY HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 620, 632, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 40 ASP- HB2 41 GLY HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 624, 632, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 40 ASP- HB3 41 GLY HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 625, 632, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 41 GLY HN 42 TRP HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 632, 639, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 42 TRP HA 42 TRP HD1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 641, 647, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 42 TRP HA 42 TRP HE3 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 641, 658, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 42 TRP HN 42 TRP HB2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 639, 643, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 42 TRP HN 42 TRP HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 42 TRP HN 42 TRP HE3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 639, 658, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 42 TRP HN 43 SER HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 639, 665, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 42 TRP HN 43 SER HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 639, 663, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 42 TRP HN 44 LEU HG 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 639, 681, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 42 TRP HN 44 LEU HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 639, 674, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 42 TRP HN 44 LEU QD1 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 683, 684, 685,
&end
#
# 42 TRP HB2 42 TRP HE3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 643, 658, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 42 TRP HB2 43 SER HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 643, 663, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 42 TRP HB2 44 LEU HG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 643, 681, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 42 TRP HB2 44 LEU HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 643, 674, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 42 TRP HB2 44 LEU QD1 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 683, 684, 685,
&end
#
# 42 TRP HB2 44 LEU QD2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 687, 688, 689,
&end
#
# 42 TRP HB3 42 TRP HE3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 644, 658, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 42 TRP HB3 43 SER HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 644, 663, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 42 TRP HB3 44 LEU HG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 644, 681, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 42 TRP HB3 44 LEU HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 644, 674, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 42 TRP HB3 44 LEU QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 683, 684, 685,
&end
#
# 42 TRP HB3 44 LEU QD2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 687, 688, 689,
&end
#
# 42 TRP HE3 44 LEU QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 683, 684, 685,
&end
#
# 42 TRP HE3 78 LEU QD1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1236,1237,1238,
&end
#
# 42 TRP HE3 78 LEU QD2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1240,1241,1242,
&end
#
# 42 TRP HH2 78 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654,1231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HH2 78 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1236,1237,1238,
&end
#
# 42 TRP HH2 78 LEU QD2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1240,1241,1242,
&end
#
# 42 TRP HZ3 44 LEU QD1 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 683, 684, 685,
&end
#
# 42 TRP HZ3 78 LEU HB2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 656,1231, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 42 TRP HZ3 78 LEU HB3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 656,1232, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 42 TRP HZ3 78 LEU QD1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1236,1237,1238,
&end
#
# 42 TRP HZ3 78 LEU QD2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1240,1241,1242,
&end
#
# 43 SER HA 44 LEU HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 665, 674, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 43 SER HN 43 SER HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 663, 667, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 43 SER HN 43 SER HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 663, 668, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 43 SER HN 44 LEU HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 663, 674, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 44 LEU HA 44 LEU QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 683, 684, 685,
&end
#
# 44 LEU HA 44 LEU QD2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 687, 688, 689,
&end
#
# 44 LEU HA 45 ALA HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 676, 693, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 LEU HA 45 ALA QB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 697, 698, 699,
&end
#
# 44 LEU HN 44 LEU HG 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 674, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU HN 44 LEU HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 674, 678, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 44 LEU HN 44 LEU HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 674, 679, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 44 LEU HN 44 LEU QD1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 683, 684, 685,
&end
#
# 44 LEU HN 44 LEU QD2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 687, 688, 689,
&end
#
# 44 LEU HB2 44 LEU QD1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 683, 684, 685,
&end
#
# 44 LEU HB2 44 LEU QD2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 687, 688, 689,
&end
#
# 44 LEU HB2 50 PHE QE 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 780, 784,
&end
#
# 44 LEU HB3 44 LEU QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 683, 684, 685,
&end
#
# 44 LEU HB3 44 LEU QD2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 687, 688, 689,
&end
#
# 44 LEU HB3 45 ALA HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 679, 693, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 44 LEU HB3 50 PHE HZ 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 679, 782, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 44 LEU HB3 50 PHE QD 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 778, 786,
&end
#
# 44 LEU HB3 50 PHE QE 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 780, 784,
&end
#
# 44 LEU QD1 50 PHE HZ 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 683, 684, 685,
&end
#
# 44 LEU QD1 50 PHE QD 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 683, 684, 685,
igr2= 778, 786,
&end
#
# 44 LEU QD1 50 PHE QE 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 683, 684, 685,
igr2= 780, 784,
&end
#
# 44 LEU QD1 78 LEU QD2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 683, 684, 685,
igr2=1240,1241,1242,
&end
#
# 44 LEU QD2 45 ALA HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 687, 688, 689,
&end
#
# 44 LEU QD2 50 PHE HZ 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 687, 688, 689,
&end
#
# 44 LEU QD2 50 PHE QE 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 687, 688, 689,
igr2= 780, 784,
&end
#
# 45 ALA HA 46 ASN HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 695, 703, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 45 ALA HN 45 ALA QB 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 697, 698, 699,
&end
#
# 45 ALA HN 46 ASN HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 693, 703, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 45 ALA QB 46 ASN HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 697, 698, 699,
&end
#
# 45 ALA QB 46 ASN HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 697, 698, 699,
&end
#
# 45 ALA QB 46 ASN HB2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 697, 698, 699,
&end
#
# 45 ALA QB 46 ASN HB3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 697, 698, 699,
&end
#
# 45 ALA QB 46 ASN HD21 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 697, 698, 699,
&end
#
# 45 ALA QB 46 ASN HD22 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 697, 698, 699,
&end
#
# 46 ASN HN 45 ALA HN 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 703, 693, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 46 ASN HN 45 ALA HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 703, 695, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 ASN HN 46 ASN HA 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 46 ASN HN 47 HIS HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 703, 717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 ASN HA 47 HIS HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 705, 717, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 46 ASN HA 48 GLU- HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 705, 734, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 46 ASN HA 49 TYR QE 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 759, 764,
&end
#
# 46 ASN HN 46 ASN HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 703, 707, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 46 ASN HN 46 ASN HB3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 703, 708, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 46 ASN HN 47 HIS HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 703, 717, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 46 ASN HB2 47 HIS HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 707, 717, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 46 ASN HB3 47 HIS HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 708, 717, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 46 ASN HB3 49 TYR QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 757, 766,
&end
#
# 47 HIS HA 49 TYR HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 719, 749, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 47 HIS HA 50 PHE QD 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 778, 786,
&end
#
# 47 HIS HN 47 HIS HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 717, 721, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 HIS HN 47 HIS HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 HIS HN 47 HIS HD2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 717, 730, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 47 HIS HN 48 GLU- HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 717, 734, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 47 HIS HB2 50 PHE QD 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 778, 786,
&end
#
# 47 HIS HB3 50 PHE QD 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 778, 786,
&end
#
# 47 HIS HD2 48 GLU- HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 730, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 HIS HD2 50 PHE HB2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 730, 774, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 47 HIS HE1 48 GLU- QG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 741, 742,
&end
#
# 48 GLU- HA 48 GLU- QG 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 741, 742,
&end
#
# 48 GLU- HA 50 PHE HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 736, 770, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 48 GLU- HN 48 GLU- QG 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 741, 742,
&end
#
# 48 GLU- HN 49 TYR HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 734, 749, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 48 GLU- QG 49 TYR HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 741, 742,
&end
#
# 48 GLU- QG 49 TYR QD 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 741, 742,
igr2= 757, 766,
&end
#
# 48 GLU- QG 49 TYR QE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 741, 742,
igr2= 759, 764,
&end
#
# 49 TYR HA 49 TYR QD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 757, 766,
&end
#
# 49 TYR HA 49 TYR QE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 759, 764,
&end
#
# 49 TYR HN 49 TYR QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 757, 766,
&end
#
# 49 TYR HN 49 TYR HB2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 749, 753, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 49 TYR HN 49 TYR HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 749, 754, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 49 TYR HN 50 PHE HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 749, 770, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 49 TYR HN 50 PHE QD 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 778, 786,
&end
#
# 49 TYR QD 80 THR QG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 757, 766,
igr2=1266,1267,1268,
&end
#
# 49 TYR QD 84 GLN QG 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 757, 766,
igr2=1316,1317,
&end
#
# 49 TYR QE 80 THR QG2 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 759, 764,
igr2=1266,1267,1268,
&end
#
# 49 TYR HB2 50 PHE HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 753, 770, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 49 TYR HB2 50 PHE QD 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 778, 786,
&end
#
# 49 TYR HB2 50 PHE QE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 780, 784,
&end
#
# 49 TYR HB2 80 THR QG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1266,1267,1268,
&end
#
# 49 TYR HB2 84 GLN QG 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1316,1317,
&end
#
# 49 TYR HB3 80 THR QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1266,1267,1268,
&end
#
# 49 TYR HB3 81 SER HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 754,1274, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 49 TYR HB3 84 GLN QG 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1316,1317,
&end
#
# 50 PHE HA 50 PHE QD 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 778, 786,
&end
#
# 50 PHE HA 51 ALA HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 772, 790, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 50 PHE HA 51 ALA QB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 794, 795, 796,
&end
#
# 50 PHE HA 78 LEU QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1236,1237,1238,
&end
#
# 50 PHE HA 80 THR HA 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 772,1262, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 50 PHE HA 80 THR HB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 772,1264, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 50 PHE HA 80 THR QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1266,1267,1268,
&end
#
# 50 PHE HA 81 SER HA 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 772,1276, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 50 PHE HA 81 SER HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 772,1274, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 50 PHE HA 81 SER HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 772,1278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 PHE HA 81 SER HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 772,1279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 PHE HN 50 PHE QD 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 778, 786,
&end
#
# 50 PHE HN 50 PHE HB2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 770, 774, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 50 PHE HN 50 PHE HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 770, 775, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 50 PHE HN 51 ALA HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 770, 790, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 50 PHE HZ 80 THR QG2 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1266,1267,1268,
&end
#
# 50 PHE QD 51 ALA HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 778, 786,
&end
#
# 50 PHE QD 78 LEU HG 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 778, 786,
&end
#
# 50 PHE QD 78 LEU HB2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 778, 786,
&end
#
# 50 PHE QD 78 LEU QD1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 778, 786,
igr2=1236,1237,1238,
&end
#
# 50 PHE QD 78 LEU QD2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 778, 786,
igr2=1240,1241,1242,
&end
#
# 50 PHE QD 79 THR HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 778, 786,
&end
#
# 50 PHE QD 80 THR HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 778, 786,
&end
#
# 50 PHE QD 80 THR QG2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 778, 786,
igr2=1266,1267,1268,
&end
#
# 50 PHE QD 81 SER HN 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 778, 786,
&end
#
# 50 PHE QE 78 LEU HG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 780, 784,
&end
#
# 50 PHE QE 78 LEU QD2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 780, 784,
igr2=1240,1241,1242,
&end
#
# 50 PHE QE 80 THR HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 780, 784,
&end
#
# 50 PHE HB2 51 ALA HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 774, 790, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 50 PHE HB2 78 LEU QD1 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1236,1237,1238,
&end
#
# 50 PHE HB2 78 LEU QD2 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1240,1241,1242,
&end
#
# 50 PHE HB2 80 THR HA 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 774,1262, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 50 PHE HB3 51 ALA HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 775, 790, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 50 PHE HB3 78 LEU QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1236,1237,1238,
&end
#
# 50 PHE HB3 78 LEU QD2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1240,1241,1242,
&end
#
# 50 PHE HB3 80 THR HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 775,1262, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 51 ALA HA 52 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 792, 800, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 51 ALA HA 52 LEU HB2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 792, 804, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 51 ALA HN 51 ALA QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 794, 795, 796,
&end
#
# 51 ALA HN 78 LEU QD1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1236,1237,1238,
&end
#
# 51 ALA HN 79 THR QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1252,1253,1254,
&end
#
# 51 ALA HN 80 THR HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 790,1262, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 51 ALA HN 80 THR HN 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 790,1260, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 51 ALA HN 81 SER HA 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 790,1276, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 51 ALA HN 81 SER HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 790,1274, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 51 ALA QB 52 LEU HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 794, 795, 796,
&end
#
# 51 ALA QB 61 TYR QD 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 794, 795, 796,
igr2= 939, 948,
&end
#
# 51 ALA QB 61 TYR QE 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 794, 795, 796,
igr2= 941, 946,
&end
#
# 51 ALA QB 80 THR HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 794, 795, 796,
&end
#
# 51 ALA QB 81 SER HA 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 794, 795, 796,
&end
#
# 51 ALA QB 81 SER HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 794, 795, 796,
&end
#
# 51 ALA QB 81 SER HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 794, 795, 796,
&end
#
# 51 ALA QB 81 SER HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 794, 795, 796,
&end
#
# 51 ALA QB 82 PRO HD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 794, 795, 796,
&end
#
# 51 ALA QB 82 PRO HD3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 794, 795, 796,
&end
#
# 52 LEU HA 52 LEU HG 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 802, 807, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 52 LEU HA 52 LEU QD1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 809, 810, 811,
&end
#
# 52 LEU HA 52 LEU QD2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 813, 814, 815,
&end
#
# 52 LEU HA 53 GLN HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 802, 819, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 52 LEU HA 77 ARG+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 802,1203, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 52 LEU HA 78 LEU HA 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 802,1229, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 52 LEU HA 78 LEU QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1236,1237,1238,
&end
#
# 52 LEU HA 79 THR HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 802,1246, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 52 LEU HA 79 THR QG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1252,1253,1254,
&end
#
# 52 LEU HN 52 LEU HG 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 800, 807, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 52 LEU HN 52 LEU HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 800, 804, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 52 LEU HN 52 LEU HB3 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 800, 805, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 52 LEU HN 52 LEU QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 809, 810, 811,
&end
#
# 52 LEU HN 62 ILE HB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 800, 956, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 52 LEU HN 62 ILE HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 800, 952, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 52 LEU HB2 52 LEU QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 809, 810, 811,
&end
#
# 52 LEU HB2 53 GLN HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 804, 819, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 52 LEU HB2 62 ILE HB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 804, 956, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 52 LEU HB3 52 LEU QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 809, 810, 811,
&end
#
# 52 LEU HB3 53 GLN HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 805, 819, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 52 LEU HB3 62 ILE HB 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 805, 956, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 52 LEU HB3 62 ILE HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 805, 952, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 52 LEU HB3 62 ILE QG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 958, 959, 960,
&end
#
# 52 LEU QD2 53 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 813, 814, 815,
&end
#
# 52 LEU QD2 76 LEU HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 813, 814, 815,
&end
#
# 52 LEU QD2 76 LEU HB3 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 813, 814, 815,
&end
#
# 52 LEU QD2 76 LEU QD1 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 813, 814, 815,
igr2=1193,1194,1195,
&end
#
# 52 LEU QD2 77 ARG+ HA 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 813, 814, 815,
&end
#
# 52 LEU QD2 77 ARG+ HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 813, 814, 815,
&end
#
# 53 GLN HA 54 HIS HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 821, 836, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 53 GLN HA 54 HIS HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 821, 840, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 53 GLN HA 61 TYR QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 939, 948,
&end
#
# 53 GLN HA 62 ILE HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 821, 952, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 53 GLN HA 62 ILE QD1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 965, 966, 967,
&end
#
# 53 GLN HN 53 GLN HB2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 819, 823, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 53 GLN HN 53 GLN HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 819, 824, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 53 GLN HN 76 LEU QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1193,1194,1195,
&end
#
# 53 GLN HN 77 ARG+ HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 819,1203, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 53 GLN HN 78 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 819,1229, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 53 GLN HN 79 THR QG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1252,1253,1254,
&end
#
# 53 GLN HB2 54 HIS HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 823, 836, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 GLN HB2 61 TYR QD 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 939, 948,
&end
#
# 53 GLN HB2 61 TYR QE 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 941, 946,
&end
#
# 53 GLN HB2 79 THR HB 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 823,1250, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 53 GLN HB3 54 HIS HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 824, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 GLN HB3 54 HIS HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 824, 836, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 53 GLN HB3 61 TYR QD 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 939, 948,
&end
#
# 53 GLN HB3 61 TYR QE 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 941, 946,
&end
#
# 53 GLN HB3 77 ARG+ HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 824,1203, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 53 GLN HE21 59 ASN HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 831, 899, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 53 GLN HE21 59 ASN HB2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 831, 901, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 53 GLN HE21 59 ASN HB3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 831, 902, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 53 GLN HE21 61 TYR HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 831, 933, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 GLN HE21 79 THR QG2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1252,1253,1254,
&end
#
# 53 GLN HE22 59 ASN HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 832, 899, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 53 GLN HE22 59 ASN HB2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 832, 901, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 53 GLN HE22 59 ASN HB3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 832, 902, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 53 GLN HE22 61 TYR HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 832, 933, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 GLN HE22 79 THR QG2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1252,1253,1254,
&end
#
# 54 HIS HA 54 HIS HD2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 838, 849, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 54 HIS HA 55 ALA HN 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 838, 853, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 54 HIS HA 55 ALA QB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 857, 858, 859,
&end
#
# 54 HIS HA 56 ASP- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 838, 863, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 54 HIS HA 62 ILE QD1 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 965, 966, 967,
&end
#
# 54 HIS HA 74 THR QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1157,1158,1159,
&end
#
# 54 HIS HA 76 LEU HA 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 838,1186, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 54 HIS HA 76 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 838,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 HIS HA 76 LEU QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1197,1198,1199,
&end
#
# 54 HIS HA 77 ARG+ HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 838,1203, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 54 HIS HN 54 HIS HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 836, 840, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 54 HIS HN 54 HIS HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 836, 841, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 54 HIS HN 54 HIS HD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 836, 849, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 54 HIS HN 60 PHE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 836, 911, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 54 HIS HN 62 ILE QD1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 965, 966, 967,
&end
#
# 54 HIS HN 76 LEU QD2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1197,1198,1199,
&end
#
# 54 HIS HN 79 THR QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1252,1253,1254,
&end
#
# 54 HIS HB2 55 ALA HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 840, 853, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 54 HIS HB2 60 PHE HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 840, 911, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 54 HIS HB3 55 ALA HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 841, 853, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 54 HIS HB3 55 ALA QB 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 857, 858, 859,
&end
#
# 54 HIS HB3 56 ASP- HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 841, 863, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 54 HIS HB3 74 THR QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1157,1158,1159,
&end
#
# 54 HIS HB3 76 LEU QD2 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1197,1198,1199,
&end
#
# 54 HIS HD2 60 PHE HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 849, 911, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 54 HIS HD2 60 PHE HB2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 849, 915, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 54 HIS HD2 60 PHE HB3 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 849, 916, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 54 HIS HD2 62 ILE QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 965, 966, 967,
&end
#
# 54 HIS HD2 74 THR QG2 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1157,1158,1159,
&end
#
# 54 HIS HD2 76 LEU QD2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1197,1198,1199,
&end
#
# 54 HIS HE1 62 ILE QD1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 965, 966, 967,
&end
#
# 54 HIS HE1 70 ILE HA 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 845,1091, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 54 HIS HE1 70 ILE QG2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1095,1096,1097,
&end
#
# 54 HIS HE1 70 ILE HG12 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 845,1099, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 54 HIS HE1 71 LYS+ HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 845,1108, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 54 HIS HE1 74 THR QG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1157,1158,1159,
&end
#
# 54 HIS HE1 76 LEU QD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1197,1198,1199,
&end
#
# 55 ALA HN 55 ALA QB 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 857, 858, 859,
&end
#
# 55 ALA HN 75 ILE HB 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 853,1169, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 ALA HN 75 ILE QG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1171,1172,1173,
&end
#
# 55 ALA HN 76 LEU HA 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 853,1186, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 55 ALA HN 76 LEU HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 853,1184, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 55 ALA HN 76 LEU QD2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1197,1198,1199,
&end
#
# 55 ALA HN 77 ARG+ HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 853,1203, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 55 ALA QB 56 ASP- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 857, 858, 859,
&end
#
# 55 ALA QB 75 ILE HB 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 857, 858, 859,
&end
#
# 55 ALA QB 75 ILE QG2 1.80 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 857, 858, 859,
igr2=1171,1172,1173,
&end
#
# 55 ALA QB 76 LEU HA 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 857, 858, 859,
&end
#
# 55 ALA QB 77 ARG+ HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 857, 858, 859,
&end
#
# 56 ASP- HB2 57 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 867, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ASP- HB3 57 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 868, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 SER QB 58 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 879, 880,
&end
#
# 59 ASN HN 60 PHE HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 897, 911, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 60 PHE HA 61 TYR HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 913, 931, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 60 PHE HN 60 PHE QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 919, 927,
&end
#
# 60 PHE HN 60 PHE HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 911, 915, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 60 PHE HN 60 PHE HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 911, 916, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 60 PHE HN 61 TYR HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 911, 931, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 60 PHE QD 62 ILE QD1 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 919, 927,
igr2= 965, 966, 967,
&end
#
# 60 PHE HB2 61 TYR HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 915, 931, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 60 PHE HB3 61 TYR HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 916, 931, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 61 TYR HA 61 TYR QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 939, 948,
&end
#
# 61 TYR HA 62 ILE HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 933, 952, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 61 TYR HN 61 TYR QD 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 939, 948,
&end
#
# 61 TYR HN 61 TYR QE 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 941, 946,
&end
#
# 61 TYR HN 61 TYR HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 931, 935, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 61 TYR HN 61 TYR HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 931, 936, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 61 TYR HN 62 ILE HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 931, 952, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 61 TYR QD 62 ILE HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 939, 948,
&end
#
# 61 TYR QD 79 THR QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 939, 948,
igr2=1252,1253,1254,
&end
#
# 61 TYR QE 79 THR QG2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 941, 946,
igr2=1252,1253,1254,
&end
#
# 61 TYR QE 81 SER HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 941, 946,
&end
#
# 61 TYR QE 82 PRO HB2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 941, 946,
&end
#
# 61 TYR QE 82 PRO HB3 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 941, 946,
&end
#
# 61 TYR QE 82 PRO HD2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 941, 946,
&end
#
# 61 TYR QE 82 PRO HD3 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 941, 946,
&end
#
# 61 TYR HB2 62 ILE HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 935, 952, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 61 TYR HB2 63 THR QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 977, 978, 979,
&end
#
# 61 TYR HB3 62 ILE HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 936, 952, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 61 TYR HB3 63 THR QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 977, 978, 979,
&end
#
# 62 ILE HA 62 ILE QD1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 965, 966, 967,
&end
#
# 62 ILE HA 62 ILE QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 958, 959, 960,
&end
#
# 62 ILE HA 63 THR HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 954, 971, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 62 ILE HA 63 THR QG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 977, 978, 979,
&end
#
# 62 ILE HB 62 ILE QD1 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 965, 966, 967,
&end
#
# 62 ILE HB 63 THR HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 956, 971, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 62 ILE HN 62 ILE HB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 952, 956, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 62 ILE HN 62 ILE QD1 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 965, 966, 967,
&end
#
# 62 ILE HN 62 ILE QG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 958, 959, 960,
&end
#
# 62 ILE HN 62 ILE HG12 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 952, 962, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 62 ILE HN 62 ILE HG13 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 952, 963, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 62 ILE HN 63 THR HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 952, 971, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 62 ILE QD1 63 THR HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 965, 966, 967,
&end
#
# 62 ILE QD1 66 ASN HD21 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 965, 966, 967,
&end
#
# 62 ILE QD1 66 ASN HD22 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 965, 966, 967,
&end
#
# 62 ILE QD1 67 ARG+ HA 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 965, 966, 967,
&end
#
# 62 ILE QD1 70 ILE QD1 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 965, 966, 967,
igr2=1102,1103,1104,
&end
#
# 62 ILE QD1 70 ILE HG12 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 965, 966, 967,
&end
#
# 62 ILE QD1 70 ILE HG13 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 965, 966, 967,
&end
#
# 62 ILE QG2 62 ILE QD1 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 958, 959, 960,
igr2= 965, 966, 967,
&end
#
# 62 ILE QG2 63 THR HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 958, 959, 960,
&end
#
# 62 ILE QG2 66 ASN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 958, 959, 960,
&end
#
# 62 ILE QG2 67 ARG+ HA 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 958, 959, 960,
&end
#
# 62 ILE QG2 67 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 958, 959, 960,
&end
#
# 62 ILE QG2 67 ARG+ HG2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 958, 959, 960,
&end
#
# 62 ILE QG2 69 GLU- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 958, 959, 960,
&end
#
# 63 THR HA 63 THR QG2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 977, 978, 979,
&end
#
# 63 THR HA 64 GLU- HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 63 THR HB 64 GLU- HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 975, 985, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 63 THR HB 65 LYS+ HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 975,1000, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 63 THR HN 63 THR QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 977, 978, 979,
&end
#
# 63 THR HN 65 LYS+ HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 971,1000, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 63 THR HN 66 ASN HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 971,1022, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 63 THR HN 67 ARG+ HA 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 971,1038, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 63 THR HN 67 ARG+ HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 971,1036, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 63 THR HN 67 ARG+ HB3 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 971,1041, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 63 THR QG2 64 GLU- HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 977, 978, 979,
&end
#
# 63 THR QG2 65 LYS+ HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 977, 978, 979,
&end
#
# 63 THR QG2 66 ASN HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 977, 978, 979,
&end
#
# 64 GLU- HA 64 GLU- HG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 987, 992, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 64 GLU- HA 64 GLU- HG3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 987, 993, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 64 GLU- HA 67 ARG+ HE 1.80 5.47
&rst
ixpk= 0, nxpk= 0, iat= 987,1049, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 64 GLU- HA 67 ARG+ HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 987,1036, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 64 GLU- HA 67 ARG+ HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 987,1041, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 64 GLU- HA 67 ARG+ HD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 987,1046, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 64 GLU- HA 67 ARG+ HD3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 987,1047, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 64 GLU- HA 67 ARG+ HG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 987,1043, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 64 GLU- HA 67 ARG+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 987,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 GLU- HN 65 LYS+ HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 985,1000, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 65 LYS+ HA 65 LYS+ HG2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1002,1007, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 LYS+ HA 65 LYS+ HG3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1002,1008, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 LYS+ HA 67 ARG+ HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat=1002,1036, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 65 LYS+ HN 65 LYS+ HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1000,1004, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 65 LYS+ HN 65 LYS+ HB3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1000,1005, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 65 LYS+ HN 66 ASN HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1000,1022, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 65 LYS+ HB2 66 ASN HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1004,1022, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 65 LYS+ HB3 66 ASN HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1005,1022, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 66 ASN HA 68 ASN HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1024,1060, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 66 ASN HA 69 GLU- HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1024,1074, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 66 ASN HN 67 ARG+ HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1022,1036, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 66 ASN HN 67 ARG+ HG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1022,1043, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 66 ASN HN 67 ARG+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1022,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG+ HA 67 ARG+ HE 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat=1038,1049, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 67 ARG+ HA 69 GLU- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1038,1074, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 67 ARG+ HA 70 ILE HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1038,1089, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 67 ARG+ HA 70 ILE QD1 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1102,1103,1104,
&end
#
# 67 ARG+ HA 70 ILE HG13 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1038,1100, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 67 ARG+ HN 67 ARG+ HE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1036,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG+ HN 67 ARG+ HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 67 ARG+ HN 67 ARG+ HD2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1036,1046, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 67 ARG+ HN 67 ARG+ HD3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1036,1047, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 67 ARG+ HN 67 ARG+ HG2 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=1036,1043, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 67 ARG+ HN 67 ARG+ HG3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1036,1044, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 67 ARG+ HN 68 ASN HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1036,1060, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 67 ARG+ HB2 67 ARG+ HE 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1040,1049, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 67 ARG+ HB3 67 ARG+ HE 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1041,1049, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 67 ARG+ HG2 68 ASN HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1043,1060, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 67 ARG+ HG3 67 ARG+ HE 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1044,1049, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 67 ARG+ HG3 68 ASN HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1044,1060, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 68 ASN HA 70 ILE HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1062,1089, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 68 ASN HN 68 ASN HD21 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1060,1069, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 68 ASN HN 68 ASN HD22 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1060,1070, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 68 ASN HN 69 GLU- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1060,1074, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 68 ASN HB2 69 GLU- HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1064,1074, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 68 ASN HB3 69 GLU- HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1065,1074, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 69 GLU- HA 69 GLU- HG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1076,1081, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 69 GLU- HA 69 GLU- HG3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1076,1082, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 69 GLU- HN 69 GLU- HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 69 GLU- HN 69 GLU- HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1074,1079, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 69 GLU- HN 69 GLU- HG2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1074,1081, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 GLU- HN 69 GLU- HG3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1074,1082, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 GLU- HN 70 ILE HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1074,1089, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 69 GLU- HN 70 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1102,1103,1104,
&end
#
# 69 GLU- HN 70 ILE HG13 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1074,1100, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 69 GLU- HB2 70 ILE HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 69 GLU- HB3 70 ILE HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1079,1089, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 70 ILE HA 70 ILE QG2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1095,1096,1097,
&end
#
# 70 ILE HA 70 ILE HG12 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1091,1099, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 70 ILE HA 70 ILE HG13 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1091,1100, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 70 ILE HA 71 LYS+ HN 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat=1091,1108, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 70 ILE HA 74 THR QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1157,1158,1159,
&end
#
# 70 ILE HN 70 ILE HB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1089,1093, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 70 ILE HN 70 ILE QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1102,1103,1104,
&end
#
# 70 ILE HN 70 ILE QG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1095,1096,1097,
&end
#
# 70 ILE HN 70 ILE HG12 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1089,1099, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 70 ILE HN 70 ILE HG13 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat=1089,1100, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 70 ILE HN 71 LYS+ HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1089,1108, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 70 ILE QG2 71 LYS+ HA 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1095,1096,1097,
&end
#
# 70 ILE QG2 71 LYS+ HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1095,1096,1097,
&end
#
# 70 ILE QG2 74 THR HA 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1095,1096,1097,
&end
#
# 70 ILE QG2 74 THR HB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1095,1096,1097,
&end
#
# 70 ILE QG2 74 THR HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1095,1096,1097,
&end
#
# 70 ILE QG2 74 THR QG2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1095,1096,1097,
igr2=1157,1158,1159,
&end
#
# 71 LYS+ HN 71 LYS+ QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1118,1119,
&end
#
# 71 LYS+ HN 71 LYS+ HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 71 LYS+ HN 71 LYS+ HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 71 LYS+ HN 71 LYS+ HG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 71 LYS+ HN 71 LYS+ HG3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 71 LYS+ HN 74 THR HB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1108,1155, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 71 LYS+ HN 74 THR QG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1157,1158,1159,
&end
#
# 72 ASN HA 73 GLY HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1132,1144, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 72 ASN QB 72 ASN HD21 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1134,1135,
&end
#
# 72 ASN QB 72 ASN HD22 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1134,1135,
&end
#
# 72 ASN QB 73 GLY HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1134,1135,
&end
#
# 73 GLY HN 74 THR HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1144,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HA 75 ILE HB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1153,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 THR HA 75 ILE HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat=1153,1165, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 74 THR HA 75 ILE HG13 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1153,1176, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 74 THR HB 75 ILE HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1155,1165, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 74 THR HB 76 LEU QD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1197,1198,1199,
&end
#
# 74 THR HN 74 THR HB 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1151,1155, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 74 THR HN 74 THR QG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1157,1158,1159,
&end
#
# 74 THR HN 75 ILE HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1151,1165, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 74 THR QG2 75 ILE HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1157,1158,1159,
&end
#
# 74 THR QG2 76 LEU HG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1157,1158,1159,
&end
#
# 74 THR QG2 76 LEU QD2 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1157,1158,1159,
igr2=1197,1198,1199,
&end
#
# 75 ILE HA 75 ILE QG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1171,1172,1173,
&end
#
# 75 ILE HA 76 LEU HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1167,1184, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 75 ILE HN 75 ILE HB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1165,1169, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 75 ILE HN 75 ILE QD1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1178,1179,1180,
&end
#
# 75 ILE HN 75 ILE QG2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1171,1172,1173,
&end
#
# 75 ILE HN 75 ILE HG12 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1165,1175, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 75 ILE HN 75 ILE HG13 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1165,1176, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 75 ILE HN 76 LEU HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1165,1184, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 75 ILE QG2 76 LEU HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1171,1172,1173,
&end
#
# 75 ILE QG2 76 LEU HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1171,1172,1173,
&end
#
# 75 ILE QG2 77 ARG+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1171,1172,1173,
&end
#
# 76 LEU HA 76 LEU HG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1186,1191, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 76 LEU HA 76 LEU QD2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1197,1198,1199,
&end
#
# 76 LEU HA 77 ARG+ HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1186,1203, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 76 LEU HN 76 LEU HG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1184,1191, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 76 LEU HN 76 LEU HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1184,1188, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 76 LEU HN 76 LEU QD1 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1193,1194,1195,
&end
#
# 76 LEU HN 76 LEU QD2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1197,1198,1199,
&end
#
# 76 LEU HB2 76 LEU QD1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1193,1194,1195,
&end
#
# 76 LEU HB2 76 LEU QD2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1197,1198,1199,
&end
#
# 76 LEU HB2 77 ARG+ HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1188,1203, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 76 LEU HB3 76 LEU QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1193,1194,1195,
&end
#
# 76 LEU HB3 76 LEU QD2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1197,1198,1199,
&end
#
# 76 LEU HB3 77 ARG+ HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1189,1203, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 76 LEU QD1 77 ARG+ HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1193,1194,1195,
&end
#
# 76 LEU QD2 77 ARG+ HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1197,1198,1199,
&end
#
# 77 ARG+ HA 77 ARG+ HG3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1205,1211, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 77 ARG+ HA 78 LEU HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1205,1227, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 77 ARG+ HA 78 LEU HB3 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat=1205,1232, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 77 ARG+ HN 77 ARG+ HB2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 77 ARG+ HN 77 ARG+ HB3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 77 ARG+ HN 77 ARG+ HG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1203,1210, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 77 ARG+ HN 77 ARG+ HG3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1203,1211, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 77 ARG+ HG2 78 LEU HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1210,1227, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 77 ARG+ HG3 78 LEU HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1211,1227, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 78 LEU HA 78 LEU HG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1229,1234, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 78 LEU HA 78 LEU QD1 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1236,1237,1238,
&end
#
# 78 LEU HA 78 LEU QD2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1240,1241,1242,
&end
#
# 78 LEU HA 79 THR HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1229,1246, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 78 LEU HA 79 THR QG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1252,1253,1254,
&end
#
# 78 LEU HG 79 THR HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1234,1246, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 78 LEU HN 78 LEU HB2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1227,1231, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 78 LEU HN 78 LEU HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1227,1232, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 78 LEU HN 78 LEU QD2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1240,1241,1242,
&end
#
# 78 LEU HB2 78 LEU QD1 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1236,1237,1238,
&end
#
# 78 LEU HB2 78 LEU QD2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1240,1241,1242,
&end
#
# 78 LEU HB3 78 LEU QD1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1236,1237,1238,
&end
#
# 78 LEU HB3 78 LEU QD2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1240,1241,1242,
&end
#
# 78 LEU HB3 79 THR HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1232,1246, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 78 LEU QD1 79 THR HA 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1236,1237,1238,
&end
#
# 78 LEU QD1 79 THR HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1236,1237,1238,
&end
#
# 78 LEU QD2 79 THR HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1240,1241,1242,
&end
#
# 79 THR HA 79 THR QG2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1252,1253,1254,
&end
#
# 79 THR HA 80 THR HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 79 THR HA 80 THR QG2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1266,1267,1268,
&end
#
# 79 THR HB 80 THR HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1250,1260, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 79 THR HN 79 THR HB 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1246,1250, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 79 THR HN 79 THR QG2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1252,1253,1254,
&end
#
# 79 THR HN 80 THR HN 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat=1246,1260, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 79 THR QG2 80 THR HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1252,1253,1254,
&end
#
# 80 THR HA 80 THR QG2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1266,1267,1268,
&end
#
# 80 THR HA 81 SER HN 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat=1262,1274, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 80 THR HB 81 SER HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1264,1274, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 80 THR HN 80 THR HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1260,1264, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 80 THR HN 80 THR QG2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1266,1267,1268,
&end
#
# 80 THR QG2 84 GLN QG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1266,1267,1268,
igr2=1316,1317,
&end
#
# 81 SER HA 82 PRO HD2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1276,1286, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 81 SER HA 82 PRO HD3 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1276,1287, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 81 SER HN 81 SER HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1274,1278, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 81 SER HN 81 SER HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1274,1279, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 81 SER HB2 83 ALA QB 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1303,1304,1305,
&end
#
# 81 SER HB3 83 ALA QB 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1303,1304,1305,
&end
#
# 82 PRO HA 82 PRO HG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1295,1289, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 82 PRO HA 82 PRO HG3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1295,1290, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 82 PRO HB2 83 ALA HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1292,1299, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 82 PRO HB3 83 ALA HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1293,1299, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 82 PRO HD2 82 PRO HB2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1286,1292, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 82 PRO HD2 82 PRO HB3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1286,1293, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 82 PRO HD2 82 PRO HG2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1286,1289, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 82 PRO HD3 82 PRO HB2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1287,1292, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 82 PRO HD3 82 PRO HB3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1287,1293, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 82 PRO HD3 82 PRO HG2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1287,1289, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 83 ALA HN 83 ALA QB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1303,1304,1305,
&end
#
# 83 ALA QB 84 GLN HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1303,1304,1305,
&end
#
# 83 ALA QB 84 GLN HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1303,1304,1305,
&end
#
# 83 ALA QB 84 GLN QG 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1303,1304,1305,
igr2=1316,1317,
&end
#
# 84 GLN HA 84 GLN QG 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1316,1317,
&end
#
# 84 GLN HN 84 GLN QG 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1316,1317,
&end
#
# 85 ASN HB2 86 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1330,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ASN HB3 86 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1331,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ALA HN 86 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1344,1345,1346,
&end
#
# 86 ALA QB 87 GLN HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1344,1345,1346,
&end
#
# 88 GLN HA 89 LEU HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1369,1384, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 89 LEU HA 89 LEU HG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1386,1391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 89 LEU HA 89 LEU QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1393,1394,1395,
&end
#
# 89 LEU HA 89 LEU QD2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1397,1398,1399,
&end
#
# 89 LEU HA 90 HIS HD2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1386,1416, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 89 LEU HG 90 HIS HN 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1391,1403, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 89 LEU HN 89 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1384,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 LEU HN 89 LEU HB2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1384,1388, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 89 LEU HN 89 LEU HB3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1384,1389, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 90 HIS HA 90 HIS HD2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1405,1416, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 91 GLU- HA 92 ARG+ HB2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1422,1439, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 91 GLU- HA 92 ARG+ HB3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1422,1440, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 92 ARG+ HA 93 ILE HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1437,1459, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 92 ARG+ HN 92 ARG+ HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1435,1439, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 92 ARG+ HN 92 ARG+ HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1435,1440, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 92 ARG+ HN 92 ARG+ HG2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1435,1442, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 92 ARG+ HN 92 ARG+ HG3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1435,1443, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 93 ILE HA 93 ILE QG2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1465,1466,1467,
&end
#
# 93 ILE HA 93 ILE HG12 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1461,1469, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 93 ILE HA 93 ILE HG13 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1461,1470, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 93 ILE HB 93 ILE QD1 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1472,1473,1474,
&end
#
# 93 ILE HB 94 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1463,1478, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 93 ILE HN 93 ILE HB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1459,1463, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 93 ILE HN 93 ILE QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1465,1466,1467,
&end
#
# 93 ILE HN 93 ILE HG12 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1459,1469, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 93 ILE HN 93 ILE HG13 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1459,1470, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 93 ILE QG2 94 GLN HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1465,1466,1467,
&end
#
# 100 ALA HA 101 LYS+ HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1559,1567, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 100 ALA HN 100 ALA QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1561,1562,1563,
&end
#
# 100 ALA QB 101 LYS+ HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1561,1562,1563,
&end
#
# 101 LYS+ HA 101 LYS+ QB 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1571,1572,
&end
#
# 101 LYS+ HA 102 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1569,1589, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 101 LYS+ HN 101 LYS+ QB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1571,1572,
&end
#
# 101 LYS+ QB 102 LEU HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1571,1572,
&end
#
# 102 LEU HA 103 GLU- HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1591,1608, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 103 GLU- HA 103 GLU- QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1615,1616,
&end
#
# 103 GLU- HA 104 ALA QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1627,1628,1629,
&end
#
# 103 GLU- HN 103 GLU- QG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1615,1616,
&end
#
# 104 ALA HA 105 LEU HG 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1625,1640, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 104 ALA HA 105 LEU HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1625,1633, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 104 ALA HN 104 ALA QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1627,1628,1629,
&end
#
# 104 ALA QB 105 LEU HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1627,1628,1629,
&end
#
# 105 LEU HA 106 LYS+ HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1635,1652, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 105 LEU HN 105 LEU HG 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1633,1640, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 107 ASP- HA 108 LEU HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1676,1686, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 109 ALA HN 109 ALA QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1709,1710,1711,
&end
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