NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588813 |
2rv7   |
11487 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 8 LYS HA 10 TYR HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 71, 105, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 8 LYS HA 10 TYR QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 109, 110,
&end
#
# 8 LYS HA 18 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 235, 236, 237,
&end
#
# 8 LYS HA 20 ALA HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= 71, 254, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 8 LYS HA 20 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 256, 257, 258,
&end
#
# 8 LYS HA 8 LYS HG2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 8 LYS HA 8 LYS HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 71, 77, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 8 LYS HA 8 LYS QD 4.68
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 79, 80,
&end
#
# 8 LYS HA 8 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 82, 83,
&end
#
# 8 LYS HA 9 PRO HD2 3.07
&rst
ixpk= 0, nxpk= 0, iat= 71, 92, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 8 LYS HA 9 PRO HD3 3.35
&rst
ixpk= 0, nxpk= 0, iat= 71, 93, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 8 LYS HA 9 PRO HG3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 71, 96, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 8 LYS HB2 9 PRO HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 73, 92, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 8 LYS HB2 9 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 73, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LYS HB3 9 PRO HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 74, 92, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 8 LYS HB3 9 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LYS HG2 19 SER HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 76, 243, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 8 LYS HG2 19 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 245, 246,
&end
#
# 8 LYS HG2 20 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 256, 257, 258,
&end
#
# 8 LYS HG2 8 LYS QE 3.56
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 82, 83,
&end
#
# 8 LYS HG2 9 PRO HD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 76, 92, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 8 LYS HG3 9 PRO HD2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 77, 92, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 8 LYS HG3 9 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 77, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LYS HN 20 ALA HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 69, 252, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 8 LYS HN 8 LYS HG3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 69, 77, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 8 LYS HN 9 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 69, 99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LYS QB 18 ALA HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 73, 74,
&end
#
# 8 LYS QB 18 ALA QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 73, 74,
igr2= 235, 236, 237,
&end
#
# 8 LYS QB 19 SER HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 73, 74,
&end
#
# 8 LYS QB 19 SER HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 73, 74,
&end
#
# 8 LYS QB 8 LYS QD 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 73, 74,
igr2= 79, 80,
&end
#
# 8 LYS QB 8 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 73, 74,
igr2= 82, 83,
&end
#
# 8 LYS QB 9 PRO HD3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 73, 74,
&end
#
# 8 LYS QD 19 SER HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 79, 80,
&end
#
# 8 LYS QD 19 SER HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 79, 80,
&end
#
# 8 LYS QE 20 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 82, 83,
igr2= 256, 257, 258,
&end
#
# 9 PRO HA 10 TYR QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 109, 110,
&end
#
# 9 PRO HA 10 TYR QD 5.12
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 113, 122,
&end
#
# 9 PRO HA 11 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 136, 137,
&end
#
# 9 PRO HA 11 LYS QE 4.19
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 139, 140,
&end
#
# 9 PRO HA 18 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 235, 236, 237,
&end
#
# 9 PRO HB2 10 TYR HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 98, 105, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 9 PRO HB2 10 TYR QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 115, 120,
&end
#
# 9 PRO HB3 10 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 99, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 PRO HB3 10 TYR HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 99, 105, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 9 PRO HB3 10 TYR QD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 113, 122,
&end
#
# 9 PRO HB3 10 TYR QE 5.29
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 115, 120,
&end
#
# 9 PRO HD2 10 TYR HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 92, 105, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 9 PRO HD2 10 TYR QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 109, 110,
&end
#
# 9 PRO HD2 10 TYR QD 4.26
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 113, 122,
&end
#
# 9 PRO HD2 10 TYR QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 115, 120,
&end
#
# 9 PRO HD2 18 ALA QB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 235, 236, 237,
&end
#
# 9 PRO HD2 20 ALA HA 3.24
&rst
ixpk= 0, nxpk= 0, iat= 92, 254, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 9 PRO HD2 20 ALA QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 256, 257, 258,
&end
#
# 9 PRO HD3 10 TYR HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 93, 105, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 9 PRO HD3 10 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 113, 122,
&end
#
# 9 PRO HD3 10 TYR QE 5.48
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 115, 120,
&end
#
# 9 PRO HD3 20 ALA HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= 93, 254, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 9 PRO HD3 20 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 256, 257, 258,
&end
#
# 9 PRO HG2 10 TYR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= 95, 107, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 9 PRO HG2 10 TYR HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 95, 105, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 9 PRO HG2 10 TYR QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 109, 110,
&end
#
# 9 PRO HG2 10 TYR QD 3.80
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 113, 122,
&end
#
# 9 PRO HG2 10 TYR QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 115, 120,
&end
#
# 9 PRO HG2 20 ALA HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 95, 254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 9 PRO HG3 10 TYR HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 96, 105, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 PRO HG3 10 TYR QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 113, 122,
&end
#
# 9 PRO HG3 10 TYR QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 115, 120,
&end
#
# 9 PRO HG3 20 ALA HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 96, 254, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 10 TYR HA 10 TYR QD 3.35
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 113, 122,
&end
#
# 10 TYR HA 11 LYS HN 2.66
&rst
ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 10 TYR HA 25 LEU QQD 4.49
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 10 TYR HN 10 TYR QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 109, 110,
&end
#
# 10 TYR HN 10 TYR QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 113, 122,
&end
#
# 10 TYR HN 10 TYR QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 115, 120,
&end
#
# 10 TYR HN 11 LYS HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 105, 126, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 10 TYR HN 11 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 136, 137,
&end
#
# 10 TYR HN 19 SER HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 105, 241, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 10 TYR HN 19 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 245, 246,
&end
#
# 10 TYR HN 20 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 256, 257, 258,
&end
#
# 10 TYR HN 25 LEU QQD 5.32
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 10 TYR QB 11 LYS HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 109, 110,
&end
#
# 10 TYR QB 17 TYR QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 109, 110,
igr2= 220, 225,
&end
#
# 10 TYR QB 19 SER HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 109, 110,
&end
#
# 10 TYR QB 19 SER QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 109, 110,
igr2= 245, 246,
&end
#
# 10 TYR QB 20 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 109, 110,
igr2= 256, 257, 258,
&end
#
# 10 TYR QB 21 ILE HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 109, 110,
&end
#
# 10 TYR QB 25 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 109, 110,
&end
#
# 10 TYR QB 25 LEU HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 109, 110,
&end
#
# 10 TYR QB 25 LEU HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 109, 110,
&end
#
# 10 TYR QB 25 LEU HG 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 109, 110,
&end
#
# 10 TYR QB 25 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 109, 110,
&end
#
# 10 TYR QB 25 LEU QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 109, 110,
igr2= 331, 332,
&end
#
# 10 TYR QB 25 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 109, 110,
igr2= 336, 337, 338,
&end
#
# 10 TYR QB 25 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 109, 110,
igr2= 340, 341, 342,
&end
#
# 10 TYR QB 25 LEU QQD 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 109, 110,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 10 TYR QD 11 LYS HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 113, 122,
&end
#
# 10 TYR QD 19 SER HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 113, 122,
&end
#
# 10 TYR QD 19 SER QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 113, 122,
igr2= 245, 246,
&end
#
# 10 TYR QD 20 ALA HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 113, 122,
&end
#
# 10 TYR QD 20 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 113, 122,
igr2= 256, 257, 258,
&end
#
# 10 TYR QD 21 ILE HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 113, 122,
&end
#
# 10 TYR QD 21 ILE HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 113, 122,
&end
#
# 10 TYR QD 22 LYS HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 113, 122,
&end
#
# 10 TYR QD 22 LYS QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 113, 122,
igr2= 285, 286,
&end
#
# 10 TYR QD 22 LYS QD 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 113, 122,
igr2= 291, 292,
&end
#
# 10 TYR QD 22 LYS QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 113, 122,
igr2= 294, 295,
&end
#
# 10 TYR QD 22 LYS QG 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 113, 122,
igr2= 288, 289,
&end
#
# 10 TYR QD 25 LEU HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 113, 122,
&end
#
# 10 TYR QD 25 LEU HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 113, 122,
&end
#
# 10 TYR QD 25 LEU QQD 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 113, 122,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 10 TYR QE 20 ALA HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 115, 120,
&end
#
# 10 TYR QE 20 ALA QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 115, 120,
igr2= 256, 257, 258,
&end
#
# 10 TYR QE 21 ILE HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 115, 120,
&end
#
# 10 TYR QE 21 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 115, 120,
igr2= 268, 269, 270,
&end
#
# 10 TYR QE 22 LYS HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 115, 120,
&end
#
# 10 TYR QE 22 LYS HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 115, 120,
&end
#
# 10 TYR QE 22 LYS HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 115, 120,
&end
#
# 10 TYR QE 22 LYS QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 115, 120,
igr2= 285, 286,
&end
#
# 10 TYR QE 22 LYS QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 115, 120,
igr2= 291, 292,
&end
#
# 10 TYR QE 22 LYS QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 115, 120,
igr2= 294, 295,
&end
#
# 10 TYR QE 22 LYS QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 115, 120,
igr2= 288, 289,
&end
#
# 10 TYR QE 25 LEU QQD 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1= 115, 120,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 11 LYS HA 11 LYS HD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 11 LYS HA 11 LYS HD3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 128, 137, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 11 LYS HA 12 CYM HN 2.96
&rst
ixpk= 0, nxpk= 0, iat= 128, 148, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 11 LYS HA 17 TYR QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 218, 227,
&end
#
# 11 LYS HB2 12 CYM HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 130, 148, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 11 LYS HB3 12 CYM HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 11 LYS HG2 12 CYM HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 133, 148, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 11 LYS HG3 12 CYM HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 134, 148, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 11 LYS HN 11 LYS HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 11 LYS HN 11 LYS HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 11 LYS HN 11 LYS HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 126, 133, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 11 LYS HN 11 LYS HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat= 126, 134, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 11 LYS HN 11 LYS QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 130, 131,
&end
#
# 11 LYS HN 11 LYS QG 4.04
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 133, 134,
&end
#
# 11 LYS HN 12 CYM HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 126, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 11 LYS HN 18 ALA QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 235, 236, 237,
&end
#
# 11 LYS HN 25 LEU QQD 3.85
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 11 LYS QB 11 LYS QD 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 130, 131,
igr2= 136, 137,
&end
#
# 11 LYS QB 11 LYS QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 130, 131,
igr2= 139, 140,
&end
#
# 11 LYS QB 12 CYM HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 130, 131,
&end
#
# 11 LYS QB 18 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 130, 131,
igr2= 235, 236, 237,
&end
#
# 11 LYS QD 12 CYM HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 136, 137,
&end
#
# 11 LYS QE 18 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 139, 140,
igr2= 235, 236, 237,
&end
#
# 11 LYS QG 12 CYM HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 133, 134,
&end
#
# 11 LYS QG 18 ALA QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 133, 134,
igr2= 235, 236, 237,
&end
#
# 12 CYM HA 13 PRO HD2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 12 CYM HA 13 PRO HD3 2.94
&rst
ixpk= 0, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 12 CYM HA 14 GLN HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 12 CYM HA 15 CYM HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 150, 189, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 12 CYM HA 17 TYR HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 150, 215, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 12 CYM HA 17 TYR QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 218, 227,
&end
#
# 12 CYM HA 25 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 336, 337, 338,
&end
#
# 12 CYM HA 25 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 340, 341, 342,
&end
#
# 12 CYM HA 25 LEU QQD 2.97
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 12 CYM HA 28 HIS HD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 150, 389, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 12 CYM HA 29 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 406, 407, 408,
&end
#
# 12 CYM HB2 13 PRO HD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 153, 159, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 12 CYM HB2 13 PRO HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 153, 160, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 12 CYM HB2 14 GLN HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 12 CYM HB2 15 CYM HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 153, 189, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 12 CYM HB2 17 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 153, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 CYM HB2 17 TYR HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 153, 214, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 12 CYM HB2 17 TYR HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 153, 215, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 12 CYM HB2 17 TYR HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 153, 210, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 12 CYM HB2 17 TYR QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 218, 227,
&end
#
# 12 CYM HB2 17 TYR QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 220, 225,
&end
#
# 12 CYM HB2 25 LEU QQD 3.23
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 12 CYM HB2 28 HIS HD2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 153, 389, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 12 CYM HB2 29 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 406, 407, 408,
&end
#
# 12 CYM HB3 13 PRO HD2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 12 CYM HB3 13 PRO HD3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 12 CYM HB3 14 GLN HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 12 CYM HB3 15 CYM HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 152, 189, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 12 CYM HB3 16 SER HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 152, 201, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 12 CYM HB3 17 TYR HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 152, 212, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 12 CYM HB3 17 TYR HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 152, 214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 12 CYM HB3 17 TYR HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 152, 215, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 12 CYM HB3 17 TYR HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 152, 210, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 12 CYM HB3 17 TYR QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 218, 227,
&end
#
# 12 CYM HB3 28 HIS HD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 152, 389, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 12 CYM HB3 29 LEU QD2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 406, 407, 408,
&end
#
# 12 CYM HN 12 CYM HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 12 CYM HN 12 CYM HB3 3.18
&rst
ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 12 CYM HN 13 PRO HD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 148, 159, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 12 CYM HN 13 PRO HD3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 CYM HN 15 CYM HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 148, 189, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 12 CYM HN 17 TYR HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 148, 214, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 12 CYM HN 17 TYR HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 148, 215, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 12 CYM HN 17 TYR QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 218, 227,
&end
#
# 12 CYM HN 18 ALA QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 235, 236, 237,
&end
#
# 12 CYM HN 25 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 336, 337, 338,
&end
#
# 12 CYM HN 25 LEU QD2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 340, 341, 342,
&end
#
# 12 CYM HN 25 LEU QQD 3.73
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 12 CYM HN 28 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 PRO HA 14 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 168, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 PRO HA 15 CYM HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 13 PRO HB2 14 GLN HG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 165, 179, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 13 PRO HB2 14 GLN HG3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 165, 180, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 13 PRO HB2 29 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 406, 407, 408,
&end
#
# 13 PRO HB3 14 GLN HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 166, 172, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 PRO HD2 14 GLN HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 159, 180, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 13 PRO HD2 14 GLN HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 159, 172, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 13 PRO HD2 15 CYM HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 159, 189, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 13 PRO HD2 25 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 336, 337, 338,
&end
#
# 13 PRO HD2 25 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 340, 341, 342,
&end
#
# 13 PRO HD2 25 LEU QQD 3.78
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 13 PRO HD2 28 HIS HD2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 159, 389, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 13 PRO HD2 29 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 PRO HD2 29 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 PRO HD2 29 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 402, 403, 404,
&end
#
# 13 PRO HD2 29 LEU QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 406, 407, 408,
&end
#
# 13 PRO HD3 14 GLN HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 160, 172, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 PRO HD3 15 CYM HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 PRO HD3 25 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 336, 337, 338,
&end
#
# 13 PRO HD3 25 LEU QD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 340, 341, 342,
&end
#
# 13 PRO HD3 25 LEU QQD 3.57
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 13 PRO HD3 29 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 402, 403, 404,
&end
#
# 13 PRO HD3 29 LEU QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 406, 407, 408,
&end
#
# 13 PRO HG2 14 GLN HG3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 162, 180, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 13 PRO HG2 14 GLN HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 162, 172, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 13 PRO HG3 14 GLN HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 163, 172, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 13 PRO HG3 29 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 402, 403, 404,
&end
#
# 13 PRO HG3 29 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 406, 407, 408,
&end
#
# 14 GLN HA 14 GLN HG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 14 GLN HA 14 GLN HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 174, 180, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 14 GLN HA 15 CYM HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 14 GLN HB2 15 CYM HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 176, 189, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 GLN HB2 32 HIS HD2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 176, 471, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 14 GLN HB2 32 HIS HE1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 176, 468, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 14 GLN HB3 15 CYM HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 177, 189, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 GLN HB3 32 HIS HD2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 177, 471, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 14 GLN HB3 32 HIS HE1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 177, 468, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 14 GLN HE21 29 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 406, 407, 408,
&end
#
# 14 GLN HE21 32 HIS HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 184, 462, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 14 GLN HE21 32 HIS HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 184, 463, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 14 GLN HE22 29 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 406, 407, 408,
&end
#
# 14 GLN HE22 32 HIS HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 185, 462, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 14 GLN HE22 32 HIS HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 185, 463, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 14 GLN HG2 15 CYM HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 179, 189, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 14 GLN HG2 32 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 179, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HG3 14 GLN QE2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 184, 185,
&end
#
# 14 GLN HG3 15 CYM HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 180, 189, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 14 GLN HG3 29 LEU QD2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 406, 407, 408,
&end
#
# 14 GLN HG3 32 HIS HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 180, 462, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 14 GLN HG3 32 HIS HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 180, 463, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 14 GLN HG3 32 HIS HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 180, 471, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 GLN HN 14 GLN HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 14 GLN HN 14 GLN HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 14 GLN HN 14 GLN HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 172, 179, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 14 GLN HN 14 GLN HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 14 GLN HN 14 GLN QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 176, 177,
&end
#
# 14 GLN HN 15 CYM HN 2.76
&rst
ixpk= 0, nxpk= 0, iat= 172, 189, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 14 GLN HN 29 LEU QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 406, 407, 408,
&end
#
# 14 GLN QB 14 GLN QE2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 176, 177,
igr2= 184, 185,
&end
#
# 14 GLN QB 15 CYM HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 176, 177,
&end
#
# 14 GLN QB 32 HIS HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 176, 177,
&end
#
# 14 GLN QB 32 HIS HD2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
&end
#
# 14 GLN QB 32 HIS HE1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 176, 177,
&end
#
# 14 GLN QE2 29 LEU HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 184, 185,
&end
#
# 14 GLN QE2 29 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 184, 185,
igr2= 406, 407, 408,
&end
#
# 14 GLN QE2 32 HIS HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 184, 185,
&end
#
# 14 GLN QE2 32 HIS HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 184, 185,
&end
#
# 14 GLN QE2 32 HIS HD2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 184, 185,
&end
#
# 14 GLN QE2 33 THR QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 184, 185,
igr2= 481, 482, 483,
&end
#
# 15 CYM HB2 16 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 CYM HB2 17 TYR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 CYM HB2 32 HIS HE1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 194, 468, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 15 CYM HB3 16 SER HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 193, 199, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 15 CYM HB3 17 TYR HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 193, 210, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 15 CYM HB3 32 HIS HE1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 193, 468, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 15 CYM HN 15 CYM HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 15 CYM HN 15 CYM HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 189, 193, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 15 CYM HN 17 TYR HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= 189, 215, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 15 CYM HN 17 TYR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 189, 210, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 16 SER HN 17 TYR HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 199, 210, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 17 TYR HA 17 TYR QD 3.40
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 218, 227,
&end
#
# 17 TYR HA 18 ALA HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 212, 233, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 17 TYR HA 18 ALA HN 2.60
&rst
ixpk= 0, nxpk= 0, iat= 212, 231, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 17 TYR HA 18 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 235, 236, 237,
&end
#
# 17 TYR HA 28 HIS HE1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 212, 386, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 17 TYR HB2 18 ALA HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 214, 231, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 17 TYR HB2 25 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 17 TYR HB2 28 HIS HE1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 214, 386, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 17 TYR HB3 18 ALA HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 215, 231, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 17 TYR HB3 25 LEU QQD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 17 TYR HB3 28 HIS HE1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 215, 386, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 17 TYR HN 17 TYR HB2 3.07
&rst
ixpk= 0, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 17 TYR HN 17 TYR HB3 3.09
&rst
ixpk= 0, nxpk= 0, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 17 TYR HN 17 TYR QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 218, 227,
&end
#
# 17 TYR HN 18 ALA HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 210, 231, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 17 TYR HN 28 HIS HE1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 210, 386, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 17 TYR QD 18 ALA HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 218, 227,
&end
#
# 17 TYR QD 18 ALA HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 218, 227,
&end
#
# 17 TYR QD 18 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 218, 227,
igr2= 235, 236, 237,
&end
#
# 17 TYR QD 19 SER HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 218, 227,
&end
#
# 17 TYR QD 19 SER QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 218, 227,
igr2= 245, 246,
&end
#
# 17 TYR QD 25 LEU HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 218, 227,
&end
#
# 17 TYR QD 25 LEU QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 218, 227,
igr2= 331, 332,
&end
#
# 17 TYR QD 25 LEU QQD 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 218, 227,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 17 TYR QD 28 HIS HB2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 218, 227,
&end
#
# 17 TYR QD 28 HIS HB3 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 218, 227,
&end
#
# 17 TYR QD 28 HIS HD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 218, 227,
&end
#
# 17 TYR QD 28 HIS HE1 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 218, 227,
&end
#
# 17 TYR QE 18 ALA HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 220, 225,
&end
#
# 17 TYR QE 18 ALA HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 220, 225,
&end
#
# 17 TYR QE 19 SER HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 220, 225,
&end
#
# 17 TYR QE 19 SER HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 220, 225,
&end
#
# 17 TYR QE 19 SER HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 220, 225,
&end
#
# 17 TYR QE 19 SER HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 220, 225,
&end
#
# 17 TYR QE 19 SER QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 220, 225,
igr2= 245, 246,
&end
#
# 17 TYR QE 24 ASN HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 220, 225,
&end
#
# 17 TYR QE 24 ASN HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 220, 225,
&end
#
# 17 TYR QE 25 LEU HA 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 220, 225,
&end
#
# 17 TYR QE 25 LEU HG 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 220, 225,
&end
#
# 17 TYR QE 25 LEU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 220, 225,
&end
#
# 17 TYR QE 25 LEU QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 220, 225,
igr2= 331, 332,
&end
#
# 17 TYR QE 25 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 220, 225,
igr2= 336, 337, 338,
&end
#
# 17 TYR QE 25 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 220, 225,
igr2= 340, 341, 342,
&end
#
# 17 TYR QE 25 LEU QQD 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 220, 225,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 17 TYR QE 28 HIS HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 220, 225,
&end
#
# 17 TYR QE 28 HIS HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 220, 225,
&end
#
# 17 TYR QE 28 HIS HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 220, 225,
&end
#
# 17 TYR QE 28 HIS HD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 220, 225,
&end
#
# 17 TYR QE 28 HIS HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 220, 225,
&end
#
# 17 TYR QE 29 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 220, 225,
&end
#
# 18 ALA HA 19 SER HN 2.92
&rst
ixpk= 0, nxpk= 0, iat= 233, 241, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 18 ALA HN 18 ALA QB 3.26
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 235, 236, 237,
&end
#
# 18 ALA HN 19 SER HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 231, 241, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 18 ALA QB 19 SER HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 235, 236, 237,
&end
#
# 18 ALA QB 19 SER HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 235, 236, 237,
&end
#
# 18 ALA QB 19 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 235, 236, 237,
igr2= 245, 246,
&end
#
# 19 SER HB2 24 ASN HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 245, 317, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 19 SER HB2 24 ASN HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= 245, 318, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 19 SER HB3 24 ASN HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 246, 317, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 19 SER HB3 24 ASN HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= 246, 318, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 19 SER HN 19 SER HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 241, 245, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 19 SER HN 19 SER HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 19 SER HN 19 SER QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 245, 246,
&end
#
# 19 SER HN 20 ALA HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 241, 252, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 19 SER QB 21 ILE HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 245, 246,
&end
#
# 19 SER QB 21 ILE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 245, 246,
&end
#
# 19 SER QB 24 ASN HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 245, 246,
&end
#
# 19 SER QB 24 ASN HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 245, 246,
&end
#
# 19 SER QB 25 LEU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 245, 246,
&end
#
# 19 SER QB 25 LEU QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 245, 246,
igr2= 331, 332,
&end
#
# 19 SER QB 25 LEU QQD 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 245, 246,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 20 ALA QB 21 ILE HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 256, 257, 258,
&end
#
# 20 ALA QB 21 ILE HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 256, 257, 258,
&end
#
# 20 ALA QB 21 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 256, 257, 258,
igr2= 275, 276, 277,
&end
#
# 20 ALA QB 21 ILE QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 256, 257, 258,
igr2= 272, 273,
&end
#
# 21 ILE HA 21 ILE HG12 3.92
&rst
ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 21 ILE HA 21 ILE HG13 3.92
&rst
ixpk= 0, nxpk= 0, iat= 264, 273, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 21 ILE HA 21 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 275, 276, 277,
&end
#
# 21 ILE HA 21 ILE QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 272, 273,
&end
#
# 21 ILE HA 21 ILE QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 268, 269, 270,
&end
#
# 21 ILE HB 21 ILE QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 275, 276, 277,
&end
#
# 21 ILE HB 23 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 307, 308, 309,
&end
#
# 21 ILE HB 24 ASN HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 266, 317, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 21 ILE HB 24 ASN HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 266, 318, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 21 ILE HB 24 ASN HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= 266, 313, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 21 ILE HB 24 ASN QD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 322, 323,
&end
#
# 21 ILE HB 25 LEU HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 266, 327, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 21 ILE HN 21 ILE HB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 21 ILE HN 21 ILE HG12 4.21
&rst
ixpk= 0, nxpk= 0, iat= 262, 272, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 ILE HN 21 ILE HG13 4.21
&rst
ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 ILE HN 21 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 275, 276, 277,
&end
#
# 21 ILE HN 21 ILE QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 272, 273,
&end
#
# 21 ILE HN 21 ILE QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 268, 269, 270,
&end
#
# 21 ILE HN 24 ASN HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 262, 317, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 21 ILE HN 24 ASN HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 262, 318, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 21 ILE HN 24 ASN HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 262, 313, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 21 ILE QD1 23 ALA QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 275, 276, 277,
igr2= 307, 308, 309,
&end
#
# 21 ILE QD1 24 ASN HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 275, 276, 277,
&end
#
# 21 ILE QD1 24 ASN HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 275, 276, 277,
&end
#
# 21 ILE QD1 24 ASN QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 275, 276, 277,
igr2= 322, 323,
&end
#
# 21 ILE QG1 24 ASN HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 272, 273,
&end
#
# 21 ILE QG2 21 ILE HG12 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 21 ILE HG13 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 21 ILE QG1 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 268, 269, 270,
igr2= 272, 273,
&end
#
# 21 ILE QG2 22 LYS HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 23 ALA HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 23 ALA HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 23 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 268, 269, 270,
igr2= 307, 308, 309,
&end
#
# 21 ILE QG2 24 ASN HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 24 ASN HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 24 ASN HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 24 ASN HN 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 268, 269, 270,
&end
#
# 21 ILE QG2 24 ASN QD2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 268, 269, 270,
igr2= 322, 323,
&end
#
# 21 ILE QG2 25 LEU HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 268, 269, 270,
&end
#
# 22 LYS HA 22 LYS HD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 283, 291, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 LYS HA 22 LYS HD3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 283, 292, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 LYS HA 22 LYS QD 3.76
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 291, 292,
&end
#
# 22 LYS HA 22 LYS QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 288, 289,
&end
#
# 22 LYS HA 24 ASN HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 283, 313, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 22 LYS HA 25 LEU HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 283, 327, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 22 LYS HA 25 LEU QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 331, 332,
&end
#
# 22 LYS HA 25 LEU QQD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 22 LYS HA 26 ASN HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 283, 346, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 LYS HG2 22 LYS QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 294, 295,
&end
#
# 22 LYS HG3 22 LYS QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 294, 295,
&end
#
# 22 LYS QB 22 LYS QD 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 285, 286,
igr2= 291, 292,
&end
#
# 22 LYS QG 23 ALA HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 288, 289,
&end
#
# 22 LYS QG 23 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 288, 289,
igr2= 307, 308, 309,
&end
#
# 22 LYS QG 26 ASN HD21 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 288, 289,
&end
#
# 23 ALA HA 25 LEU HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 305, 327, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 23 ALA HA 26 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ALA HA 26 ASN HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 305, 350, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 23 ALA HA 26 ASN HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 305, 351, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 23 ALA HA 26 ASN HD21 4.73
&rst
ixpk= 0, nxpk= 0, iat= 305, 355, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 23 ALA HA 26 ASN HD22 4.34
&rst
ixpk= 0, nxpk= 0, iat= 305, 356, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 23 ALA HA 26 ASN HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 305, 346, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 23 ALA HA 27 VAL HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 305, 360, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 23 ALA HA 27 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 23 ALA HN 23 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 307, 308, 309,
&end
#
# 23 ALA HN 24 ASN HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 303, 313, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 23 ALA QB 24 ASN HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 307, 308, 309,
&end
#
# 23 ALA QB 24 ASN HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 307, 308, 309,
&end
#
# 23 ALA QB 25 LEU HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 307, 308, 309,
&end
#
# 23 ALA QB 26 ASN HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 307, 308, 309,
&end
#
# 23 ALA QB 26 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 307, 308, 309,
&end
#
# 23 ALA QB 26 ASN HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 307, 308, 309,
&end
#
# 23 ALA QB 27 VAL HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 307, 308, 309,
&end
#
# 24 ASN HA 24 ASN QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 322, 323,
&end
#
# 24 ASN HA 27 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 315, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ASN HA 27 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 315, 364, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 24 ASN HA 27 VAL HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 315, 360, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 24 ASN HA 27 VAL QQG 3.18
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 24 ASN HA 28 HIS HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 315, 376, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 ASN HB2 25 LEU HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 24 ASN HB2 27 VAL QQG 5.28
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 24 ASN HB3 25 LEU HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 24 ASN HN 24 ASN HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 313, 317, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 24 ASN HN 24 ASN HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 24 ASN HN 25 LEU HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 24 ASN HN 25 LEU QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 331, 332,
&end
#
# 24 ASN HN 26 ASN HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 313, 346, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 24 ASN HN 27 VAL QQG 4.61
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 25 LEU HA 25 LEU HG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 329, 334, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 LEU HA 25 LEU QQD 3.25
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 25 LEU HA 28 HIS HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 329, 378, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 25 LEU HA 28 HIS HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 329, 380, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 LEU HA 28 HIS HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat= 329, 381, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 25 LEU HA 28 HIS HD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 329, 389, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 25 LEU HA 28 HIS HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 329, 376, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 LEU HA 29 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 329, 393, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 25 LEU HA 29 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 406, 407, 408,
&end
#
# 25 LEU HB2 25 LEU QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 336, 337, 338,
&end
#
# 25 LEU HB2 25 LEU QD2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 340, 341, 342,
&end
#
# 25 LEU HB2 26 ASN HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 331, 346, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 25 LEU HB3 25 LEU QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 336, 337, 338,
&end
#
# 25 LEU HB3 25 LEU QD2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 340, 341, 342,
&end
#
# 25 LEU HB3 26 ASN HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 332, 346, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 25 LEU HG 26 ASN HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= 334, 348, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 25 LEU HG 26 ASN HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 334, 346, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 25 LEU HG 28 HIS HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 334, 381, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 25 LEU HG 29 LEU HG 3.74
&rst
ixpk= 0, nxpk= 0, iat= 334, 400, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 25 LEU HG 29 LEU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 334, 393, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 25 LEU HG 29 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 402, 403, 404,
&end
#
# 25 LEU HG 29 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 406, 407, 408,
&end
#
# 25 LEU HN 25 LEU HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 25 LEU HN 25 LEU HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 25 LEU HN 25 LEU HG 4.72
&rst
ixpk= 0, nxpk= 0, iat= 327, 334, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 25 LEU HN 25 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 336, 337, 338,
&end
#
# 25 LEU HN 25 LEU QD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 340, 341, 342,
&end
#
# 25 LEU HN 26 ASN HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 327, 350, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 25 LEU HN 26 ASN HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 327, 346, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 25 LEU HN 28 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 327, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LEU HN 28 HIS HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 327, 381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 25 LEU QB 25 LEU QQD 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 331, 332,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 25 LEU QB 26 ASN HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 331, 332,
&end
#
# 25 LEU QB 28 HIS HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 331, 332,
&end
#
# 25 LEU QB 29 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 331, 332,
igr2= 402, 403, 404,
&end
#
# 25 LEU QD1 26 ASN HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 336, 337, 338,
&end
#
# 25 LEU QD2 26 ASN HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 340, 341, 342,
&end
#
# 25 LEU QQD 28 HIS HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 336, 337, 338, 340, 341, 342,
&end
#
# 25 LEU QQD 28 HIS HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 336, 337, 338, 340, 341, 342,
&end
#
# 25 LEU QQD 28 HIS HD2 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 336, 337, 338, 340, 341, 342,
&end
#
# 25 LEU QQD 29 LEU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 336, 337, 338, 340, 341, 342,
&end
#
# 25 LEU QQD 32 HIS HD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 336, 337, 338, 340, 341, 342,
&end
#
# 26 ASN HA 27 VAL HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 348, 362, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 26 ASN HA 29 LEU HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 348, 397, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 26 ASN HA 29 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 348, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASN HA 29 LEU HG 3.99
&rst
ixpk= 0, nxpk= 0, iat= 348, 400, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 26 ASN HA 29 LEU HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 348, 393, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 26 ASN HA 29 LEU QD1 3.26
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 402, 403, 404,
&end
#
# 26 ASN HA 29 LEU QD2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 406, 407, 408,
&end
#
# 26 ASN HB2 26 ASN HD22 4.04
&rst
ixpk= 0, nxpk= 0, iat= 350, 356, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 ASN HB2 27 VAL HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 350, 362, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 26 ASN HB2 27 VAL HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 26 ASN HB2 27 VAL QQG 4.51
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 26 ASN HB3 27 VAL HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 351, 362, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 26 ASN HB3 27 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 351, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASN HB3 27 VAL HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 351, 360, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 26 ASN HB3 27 VAL QQG 4.92
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 26 ASN HB3 29 LEU QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 402, 403, 404,
&end
#
# 26 ASN HD21 27 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 26 ASN HN 26 ASN HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 26 ASN HN 26 ASN HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 346, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 26 ASN HN 27 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 346, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASN HN 27 VAL HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 346, 360, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 26 ASN HN 27 VAL QQG 5.19
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 26 ASN HN 29 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 346, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASN HN 29 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 402, 403, 404,
&end
#
# 27 VAL HA 27 VAL QG1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 366, 367, 368,
&end
#
# 27 VAL HA 27 VAL QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 370, 371, 372,
&end
#
# 27 VAL HA 27 VAL QQG 2.84
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL HA 29 LEU HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 362, 393, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 27 VAL HA 30 ARG HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 362, 416, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 27 VAL HA 30 ARG HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 362, 417, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 27 VAL HA 30 ARG HG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 362, 419, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 27 VAL HA 30 ARG HG3 4.26
&rst
ixpk= 0, nxpk= 0, iat= 362, 420, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 27 VAL HA 30 ARG HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 362, 412, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 27 VAL HA 30 ARG QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 422, 423,
&end
#
# 27 VAL HA 30 ARG QG 3.53
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 419, 420,
&end
#
# 27 VAL HB 28 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 364, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL HB 28 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 364, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL HB 28 HIS HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= 364, 376, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 27 VAL HN 27 VAL HB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 27 VAL HN 27 VAL QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 366, 367, 368,
&end
#
# 27 VAL HN 27 VAL QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 370, 371, 372,
&end
#
# 27 VAL HN 27 VAL QQG 2.85
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL HN 28 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 360, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL HN 28 HIS HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 360, 381, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 27 VAL HN 28 HIS HN 3.18
&rst
ixpk= 0, nxpk= 0, iat= 360, 376, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 27 VAL HN 29 LEU HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 360, 393, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 27 VAL HN 30 ARG QD 5.38
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 422, 423,
&end
#
# 27 VAL QG1 28 HIS HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 366, 367, 368,
&end
#
# 27 VAL QG1 28 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 366, 367, 368,
&end
#
# 27 VAL QG1 28 HIS HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 366, 367, 368,
&end
#
# 27 VAL QG1 30 ARG QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 366, 367, 368,
igr2= 422, 423,
&end
#
# 27 VAL QG2 28 HIS HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 370, 371, 372,
&end
#
# 27 VAL QG2 28 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 370, 371, 372,
&end
#
# 27 VAL QG2 28 HIS HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 370, 371, 372,
&end
#
# 27 VAL QG2 30 ARG QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 370, 371, 372,
igr2= 422, 423,
&end
#
# 27 VAL QQG 28 HIS HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL QQG 28 HIS HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL QQG 28 HIS HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL QQG 29 LEU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL QQG 30 ARG HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL QQG 30 ARG HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL QQG 30 ARG HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 366, 367, 368, 370, 371, 372,
&end
#
# 27 VAL QQG 30 ARG QD 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 366, 367, 368, 370, 371, 372,
igr2= 422, 423,
&end
#
# 27 VAL QQG 30 ARG QG 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1= 366, 367, 368, 370, 371, 372,
igr2= 419, 420,
&end
#
# 27 VAL QQG 31 LYS QE 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 366, 367, 368, 370, 371, 372,
igr2= 449, 450,
&end
#
# 28 HIS HA 28 HIS HB2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 378, 380, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 28 HIS HA 28 HIS HD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 378, 389, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 28 HIS HA 29 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 HIS HA 30 ARG HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 378, 412, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 28 HIS HA 31 LYS QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 440, 441,
&end
#
# 28 HIS HA 31 LYS QD 5.31
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 446, 447,
&end
#
# 28 HIS HA 31 LYS QE 4.81
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 449, 450,
&end
#
# 28 HIS HA 31 LYS QG 4.51
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 443, 444,
&end
#
# 28 HIS HB2 29 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 HIS HB2 29 LEU HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 380, 393, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 28 HIS HB3 28 HIS HD2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 381, 389, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 28 HIS HB3 29 LEU HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 381, 395, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 28 HIS HB3 29 LEU HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 28 HIS HB3 29 LEU HG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 28 HIS HB3 29 LEU HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 381, 393, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 28 HIS HB3 29 LEU QD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 406, 407, 408,
&end
#
# 28 HIS HD2 29 LEU HA 3.54
&rst
ixpk= 0, nxpk= 0, iat= 389, 395, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 28 HIS HD2 29 LEU HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 389, 397, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 28 HIS HD2 29 LEU HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 28 HIS HD2 29 LEU HG 4.05
&rst
ixpk= 0, nxpk= 0, iat= 389, 400, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 28 HIS HD2 29 LEU HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 28 HIS HD2 29 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 402, 403, 404,
&end
#
# 28 HIS HD2 29 LEU QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 406, 407, 408,
&end
#
# 28 HIS HD2 32 HIS HD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 389, 471, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 28 HIS HE1 31 LYS QD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 446, 447,
&end
#
# 28 HIS HE1 31 LYS QE 5.12
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 449, 450,
&end
#
# 28 HIS HN 28 HIS HB2 3.08
&rst
ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 28 HIS HN 28 HIS HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 28 HIS HN 28 HIS HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 376, 389, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 28 HIS HN 29 LEU HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 376, 397, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 28 HIS HN 29 LEU HN 3.35
&rst
ixpk= 0, nxpk= 0, iat= 376, 393, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 28 HIS HN 30 ARG HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 376, 412, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 LEU HA 29 LEU HG 3.60
&rst
ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 29 LEU HA 29 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 402, 403, 404,
&end
#
# 29 LEU HA 29 LEU QD2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 406, 407, 408,
&end
#
# 29 LEU HA 30 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 395, 414, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 LEU HA 31 LYS HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 395, 436, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 LEU HA 31 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 440, 441,
&end
#
# 29 LEU HA 31 LYS QG 5.04
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 443, 444,
&end
#
# 29 LEU HA 32 HIS HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 395, 462, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 LEU HA 32 HIS HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 395, 463, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 29 LEU HA 32 HIS HD2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 395, 471, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 29 LEU HA 32 HIS HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 395, 458, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 29 LEU HB2 29 LEU QD1 3.20
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 402, 403, 404,
&end
#
# 29 LEU HB2 29 LEU QD2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 406, 407, 408,
&end
#
# 29 LEU HB2 30 ARG HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 397, 414, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 29 LEU HB2 30 ARG HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 LEU HB2 32 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU HB2 32 HIS HD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 397, 471, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 29 LEU HB2 33 THR QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 481, 482, 483,
&end
#
# 29 LEU HB3 29 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 402, 403, 404,
&end
#
# 29 LEU HB3 29 LEU QD2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 406, 407, 408,
&end
#
# 29 LEU HB3 30 ARG HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 398, 414, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 29 LEU HB3 30 ARG HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 398, 412, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 LEU HB3 32 HIS HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 398, 471, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 29 LEU HB3 33 THR QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 481, 482, 483,
&end
#
# 29 LEU HG 30 ARG HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 400, 412, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 29 LEU HG 32 HIS HD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 400, 471, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 29 LEU HN 29 LEU HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 29 LEU HN 29 LEU HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 393, 398, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 29 LEU HN 29 LEU HG 3.12
&rst
ixpk= 0, nxpk= 0, iat= 393, 400, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 29 LEU HN 29 LEU QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 402, 403, 404,
&end
#
# 29 LEU HN 29 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 406, 407, 408,
&end
#
# 29 LEU HN 30 ARG HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 393, 414, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 29 LEU HN 30 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 393, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LEU HN 30 ARG HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= 393, 412, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 29 LEU HN 31 LYS HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 393, 436, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 29 LEU HN 31 LYS QE 5.18
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 449, 450,
&end
#
# 29 LEU HN 31 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 443, 444,
&end
#
# 29 LEU HN 32 HIS HD2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 393, 471, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 29 LEU QD1 30 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 402, 403, 404,
&end
#
# 29 LEU QD1 32 HIS HD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 402, 403, 404,
&end
#
# 29 LEU QD2 30 ARG HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 406, 407, 408,
&end
#
# 29 LEU QD2 32 HIS HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 406, 407, 408,
&end
#
# 29 LEU QD2 32 HIS HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 406, 407, 408,
&end
#
# 29 LEU QD2 32 HIS HD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 406, 407, 408,
&end
#
# 30 ARG HA 30 ARG HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 ARG HA 30 ARG HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 414, 420, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 ARG HA 30 ARG QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 422, 423,
&end
#
# 30 ARG HA 30 ARG QG 3.08
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 419, 420,
&end
#
# 30 ARG HA 32 HIS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 414, 458, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 30 ARG HA 33 THR QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 481, 482, 483,
&end
#
# 30 ARG HB2 30 ARG QD 3.27
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 422, 423,
&end
#
# 30 ARG HB2 31 LYS HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 416, 436, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 30 ARG HB3 30 ARG QD 3.30
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 422, 423,
&end
#
# 30 ARG HB3 31 LYS HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 417, 438, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 30 ARG HB3 31 LYS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 417, 436, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 30 ARG HB3 33 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 481, 482, 483,
&end
#
# 30 ARG HN 30 ARG HB2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 30 ARG HN 30 ARG HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 30 ARG HN 30 ARG HG2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 30 ARG HN 30 ARG HG3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 412, 420, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 30 ARG HN 30 ARG QD 4.04
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 422, 423,
&end
#
# 30 ARG HN 30 ARG QG 3.03
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 419, 420,
&end
#
# 30 ARG HN 31 LYS HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 412, 436, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 30 ARG HN 31 LYS QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 440, 441,
&end
#
# 30 ARG HN 31 LYS QE 5.48
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 449, 450,
&end
#
# 30 ARG HN 33 THR QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 481, 482, 483,
&end
#
# 30 ARG QD 31 LYS HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 422, 423,
&end
#
# 30 ARG QG 31 LYS HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 419, 420,
&end
#
# 31 LYS HA 31 LYS QB 2.83
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 440, 441,
&end
#
# 31 LYS HA 31 LYS QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 446, 447,
&end
#
# 31 LYS HA 31 LYS QE 5.17
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 449, 450,
&end
#
# 31 LYS HA 31 LYS QG 3.49
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 443, 444,
&end
#
# 31 LYS HA 33 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 481, 482, 483,
&end
#
# 31 LYS HN 31 LYS QB 2.91
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 440, 441,
&end
#
# 31 LYS HN 31 LYS QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 446, 447,
&end
#
# 31 LYS HN 31 LYS QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 449, 450,
&end
#
# 31 LYS HN 31 LYS QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 443, 444,
&end
#
# 31 LYS HN 32 HIS HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 436, 462, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 31 LYS HN 32 HIS HD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 436, 471, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 31 LYS HN 32 HIS HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 436, 458, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 31 LYS QB 31 LYS QE 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 440, 441,
igr2= 449, 450,
&end
#
# 31 LYS QB 32 HIS HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 440, 441,
&end
#
# 31 LYS QE 32 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 449, 450,
&end
#
# 31 LYS QG 31 LYS QE 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 443, 444,
igr2= 449, 450,
&end
#
# 31 LYS QG 32 HIS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 443, 444,
&end
#
# 32 HIS HB2 32 HIS HD2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 462, 471, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 32 HIS HB2 33 THR QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 481, 482, 483,
&end
#
# 32 HIS HB3 32 HIS HD2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 463, 471, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 32 HIS HB3 33 THR QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 481, 482, 483,
&end
#
# 32 HIS HN 32 HIS HB2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 458, 462, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 32 HIS HN 32 HIS HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 458, 463, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 32 HIS HN 32 HIS HD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 458, 471, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 32 HIS HN 33 THR HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 458, 475, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 HIS HN 33 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 481, 482, 483,
&end
#
# 33 THR HA 33 THR QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 481, 482, 483,
&end
#
# 33 THR HA 34 GLY HA2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 477, 491, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 33 THR HA 34 GLY HA3 5.31
&rst
ixpk= 0, nxpk= 0, iat= 477, 492, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 33 THR HA 34 GLY QA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 491, 492,
&end
#
# 33 THR HB 34 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 479, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 THR HB 34 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 479, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 THR HB 34 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 479, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 THR HN 33 THR QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 481, 482, 483,
&end
#
# 33 THR QG2 34 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 481, 482, 483,
&end
#
# 33 THR QG2 34 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 481, 482, 483,
&end
#
# 34 GLY HA2 35 GLU QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 500, 501,
&end
#
# 34 GLY HA3 35 GLU QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 500, 501,
&end
#
# 34 GLY QA 35 GLU QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 491, 492,
igr2= 500, 501,
&end
#
# 34 GLY QA 47 LEU QQD 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 491, 492,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 35 GLU HA 35 GLU HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 35 GLU HA 35 GLU HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 498, 504, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 35 GLU HA 36 LYS HG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 498, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 35 GLU HA 36 LYS HG3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 498, 519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 35 GLU HA 36 LYS HN 2.66
&rst
ixpk= 0, nxpk= 0, iat= 498, 511, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 35 GLU HA 36 LYS QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 515, 516,
&end
#
# 35 GLU HA 36 LYS QG 4.31
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 518, 519,
&end
#
# 35 GLU HA 37 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLU HA 37 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLU HA 37 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 543, 547,
&end
#
# 35 GLU HA 47 LEU QQD 5.05
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 35 GLU HG2 36 LYS HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 503, 511, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 35 GLU HG2 37 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 503, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLU HG2 37 PHE QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 543, 547,
&end
#
# 35 GLU HG3 36 LYS HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 35 GLU HG3 37 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 504, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLU HG3 37 PHE QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 543, 547,
&end
#
# 35 GLU HN 35 GLU HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 496, 503, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 35 GLU HN 35 GLU HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat= 496, 504, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 35 GLU HN 35 GLU QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 500, 501,
&end
#
# 35 GLU HN 35 GLU QG 4.15
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 503, 504,
&end
#
# 35 GLU HN 36 LYS HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 35 GLU QB 36 LYS HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 500, 501,
&end
#
# 35 GLU QB 36 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 500, 501,
igr2= 515, 516,
&end
#
# 35 GLU QB 37 PHE HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 500, 501,
&end
#
# 35 GLU QB 37 PHE HZ 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 500, 501,
&end
#
# 35 GLU QB 37 PHE QD 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 500, 501,
igr2= 541, 549,
&end
#
# 35 GLU QB 37 PHE QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 500, 501,
igr2= 543, 547,
&end
#
# 35 GLU QG 36 LYS HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 503, 504,
&end
#
# 35 GLU QG 37 PHE QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 503, 504,
igr2= 543, 547,
&end
#
# 35 GLU QG 47 LEU QQD 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 503, 504,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 36 LYS HA 36 LYS HD3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 36 LYS HA 36 LYS QE 4.84
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 524, 525,
&end
#
# 36 LYS HA 36 LYS QG 3.54
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 518, 519,
&end
#
# 36 LYS HA 37 PHE HN 2.76
&rst
ixpk= 0, nxpk= 0, iat= 513, 533, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 36 LYS HA 37 PHE QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 537, 538,
&end
#
# 36 LYS HA 37 PHE QD 4.22
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 541, 549,
&end
#
# 36 LYS HA 37 PHE QE 5.13
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 543, 547,
&end
#
# 36 LYS HA 38 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 513, 553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LYS HA 45 THR HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 513, 651, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 36 LYS HA 46 CYS HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 513, 661, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 36 LYS HA 47 LEU QQD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 36 LYS HD3 37 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 522, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LYS HD3 45 THR HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 522, 651, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 36 LYS HD3 45 THR QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 653, 654, 655,
&end
#
# 36 LYS HD3 46 CYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 522, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LYS HD3 47 LEU QQD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 36 LYS HN 36 LYS HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 511, 518, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 36 LYS HN 36 LYS HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 511, 519, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 36 LYS HN 36 LYS QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 515, 516,
&end
#
# 36 LYS HN 36 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 524, 525,
&end
#
# 36 LYS HN 37 PHE HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 511, 533, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 36 LYS HN 37 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 541, 549,
&end
#
# 36 LYS HN 47 LEU QQD 4.79
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 36 LYS QB 36 LYS QE 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 515, 516,
igr2= 524, 525,
&end
#
# 36 LYS QB 37 PHE HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 515, 516,
&end
#
# 36 LYS QB 37 PHE QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 515, 516,
igr2= 541, 549,
&end
#
# 36 LYS QB 45 THR HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 515, 516,
&end
#
# 36 LYS QB 45 THR HB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 515, 516,
&end
#
# 36 LYS QB 45 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 515, 516,
igr2= 653, 654, 655,
&end
#
# 36 LYS QB 46 CYS HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 515, 516,
&end
#
# 36 LYS QB 47 LEU QQD 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 515, 516,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 36 LYS QE 45 THR HB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 524, 525,
&end
#
# 36 LYS QE 45 THR QG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 524, 525,
igr2= 653, 654, 655,
&end
#
# 36 LYS QE 47 LEU HG 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 524, 525,
&end
#
# 36 LYS QE 47 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 524, 525,
igr2= 681, 682, 683,
&end
#
# 36 LYS QE 47 LEU QD2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 524, 525,
igr2= 685, 686, 687,
&end
#
# 36 LYS QE 47 LEU QQD 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 524, 525,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 36 LYS QG 36 LYS QE 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 518, 519,
igr2= 524, 525,
&end
#
# 36 LYS QG 37 PHE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 518, 519,
&end
#
# 36 LYS QG 45 THR HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 518, 519,
&end
#
# 36 LYS QG 47 LEU QQD 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 518, 519,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 37 PHE HA 37 PHE QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 541, 549,
&end
#
# 37 PHE HA 37 PHE QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 543, 547,
&end
#
# 37 PHE HA 38 ALA HN 2.69
&rst
ixpk= 0, nxpk= 0, iat= 535, 553, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 37 PHE HA 38 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 557, 558, 559,
&end
#
# 37 PHE HA 45 THR QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 653, 654, 655,
&end
#
# 37 PHE HA 46 CYS HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 535, 661, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 37 PHE HA 52 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 761, 762, 763,
&end
#
# 37 PHE HN 37 PHE QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 537, 538,
&end
#
# 37 PHE HN 37 PHE QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 541, 549,
&end
#
# 37 PHE HN 37 PHE QE 4.51
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 543, 547,
&end
#
# 37 PHE HN 45 THR HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 533, 649, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 37 PHE HN 45 THR HB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 533, 651, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 37 PHE HN 45 THR QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 653, 654, 655,
&end
#
# 37 PHE HN 46 CYS HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 533, 661, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 37 PHE HN 47 LEU QQD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 37 PHE HN 48 SER HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 533, 691, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 37 PHE HN 52 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 761, 762, 763,
&end
#
# 37 PHE HZ 48 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 545, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PHE HZ 49 LYS QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 706, 707,
&end
#
# 37 PHE HZ 49 LYS QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 712, 713,
&end
#
# 37 PHE HZ 49 LYS QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 715, 716,
&end
#
# 37 PHE HZ 49 LYS QG 4.46
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 709, 710,
&end
#
# 37 PHE QB 37 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 537, 538,
&end
#
# 37 PHE QB 38 ALA HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 537, 538,
&end
#
# 37 PHE QB 45 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 537, 538,
igr2= 653, 654, 655,
&end
#
# 37 PHE QB 46 CYS HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 537, 538,
&end
#
# 37 PHE QB 46 CYS HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 537, 538,
&end
#
# 37 PHE QB 48 SER HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 537, 538,
&end
#
# 37 PHE QB 49 LYS HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 537, 538,
&end
#
# 37 PHE QB 52 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 537, 538,
&end
#
# 37 PHE QB 52 LEU HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 537, 538,
&end
#
# 37 PHE QB 52 LEU HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 537, 538,
&end
#
# 37 PHE QB 52 LEU HG 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 537, 538,
&end
#
# 37 PHE QB 52 LEU HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 537, 538,
&end
#
# 37 PHE QB 52 LEU QD2 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 537, 538,
igr2= 761, 762, 763,
&end
#
# 37 PHE QD 37 PHE HZ 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 541, 549,
&end
#
# 37 PHE QD 46 CYS HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 541, 549,
&end
#
# 37 PHE QD 46 CYS HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 541, 549,
&end
#
# 37 PHE QD 47 LEU QQD 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 541, 549,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 37 PHE QD 48 SER HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 541, 549,
&end
#
# 37 PHE QD 48 SER HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 541, 549,
&end
#
# 37 PHE QD 49 LYS HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 541, 549,
&end
#
# 37 PHE QD 49 LYS HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 541, 549,
&end
#
# 37 PHE QD 49 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 541, 549,
igr2= 706, 707,
&end
#
# 37 PHE QD 49 LYS QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 541, 549,
igr2= 712, 713,
&end
#
# 37 PHE QD 49 LYS QE 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 541, 549,
igr2= 715, 716,
&end
#
# 37 PHE QD 49 LYS QG 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 541, 549,
igr2= 709, 710,
&end
#
# 37 PHE QD 52 LEU HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 541, 549,
&end
#
# 37 PHE QD 52 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 541, 549,
&end
#
# 37 PHE QD 52 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 541, 549,
igr2= 761, 762, 763,
&end
#
# 37 PHE QE 48 SER HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 543, 547,
&end
#
# 37 PHE QE 49 LYS HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 543, 547,
&end
#
# 37 PHE QE 49 LYS HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 543, 547,
&end
#
# 37 PHE QE 49 LYS QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 543, 547,
igr2= 706, 707,
&end
#
# 37 PHE QE 49 LYS QD 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 543, 547,
igr2= 712, 713,
&end
#
# 37 PHE QE 49 LYS QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 543, 547,
igr2= 715, 716,
&end
#
# 37 PHE QE 49 LYS QG 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 543, 547,
igr2= 709, 710,
&end
#
# 37 PHE QE 52 LEU QD2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 543, 547,
igr2= 761, 762, 763,
&end
#
# 38 ALA HA 39 CYM HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 555, 565, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 38 ALA HA 39 CYM HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 555, 567, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 ALA HA 39 CYM HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= 555, 563, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 38 ALA HA 45 THR QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 653, 654, 655,
&end
#
# 38 ALA HN 38 ALA QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 557, 558, 559,
&end
#
# 38 ALA HN 45 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 653, 654, 655,
&end
#
# 38 ALA HN 52 LEU QD2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 761, 762, 763,
&end
#
# 38 ALA QB 39 CYM HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 557, 558, 559,
&end
#
# 38 ALA QB 39 CYM HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 557, 558, 559,
&end
#
# 38 ALA QB 39 CYM HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 557, 558, 559,
&end
#
# 38 ALA QB 39 CYM HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 557, 558, 559,
&end
#
# 38 ALA QB 40 ASP HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 557, 558, 559,
&end
#
# 38 ALA QB 45 THR HB 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 557, 558, 559,
&end
#
# 38 ALA QB 45 THR QG2 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 557, 558, 559,
igr2= 653, 654, 655,
&end
#
# 38 ALA QB 46 CYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 557, 558, 559,
&end
#
# 39 CYM HA 40 ASP HN 3.01
&rst
ixpk= 0, nxpk= 0, iat= 565, 573, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 39 CYM HA 40 ASP QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 577, 578,
&end
#
# 39 CYM HA 41 TYR HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 565, 585, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 39 CYM HA 41 TYR QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 593, 602,
&end
#
# 39 CYM HA 42 CYM HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 565, 606, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 39 CYM HA 44 PHE QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 635, 643,
&end
#
# 39 CYM HA 52 LEU QD1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 757, 758, 759,
&end
#
# 39 CYM HA 52 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 761, 762, 763,
&end
#
# 39 CYM HA 56 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 835, 836, 837,
&end
#
# 39 CYM HB2 40 ASP HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 568, 573, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 39 CYM HB2 41 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 568, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 CYM HB2 41 TYR HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 39 CYM HB2 41 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 593, 602,
&end
#
# 39 CYM HB2 42 CYM HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 568, 606, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 39 CYM HB2 44 PHE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 568, 629, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 39 CYM HB2 44 PHE HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 568, 631, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 39 CYM HB2 44 PHE HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 568, 632, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 39 CYM HB2 44 PHE QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 635, 643,
&end
#
# 39 CYM HB2 44 PHE QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 637, 641,
&end
#
# 39 CYM HB2 45 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 653, 654, 655,
&end
#
# 39 CYM HB2 52 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 568, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 CYM HB2 52 LEU QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 757, 758, 759,
&end
#
# 39 CYM HB2 52 LEU QD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 761, 762, 763,
&end
#
# 39 CYM HB2 55 HIS HD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 568, 818, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 39 CYM HB2 56 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 835, 836, 837,
&end
#
# 39 CYM HB3 40 ASP HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 567, 573, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 39 CYM HB3 41 TYR HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 567, 585, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 39 CYM HB3 42 CYM HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 567, 606, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 39 CYM HB3 44 PHE HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 567, 629, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 39 CYM HB3 44 PHE HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 567, 631, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 39 CYM HB3 44 PHE HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 567, 632, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 39 CYM HB3 44 PHE HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 567, 627, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 39 CYM HB3 44 PHE QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 635, 643,
&end
#
# 39 CYM HB3 55 HIS HD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 567, 818, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 39 CYM HB3 56 ILE QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 835, 836, 837,
&end
#
# 39 CYM HN 39 CYM HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 39 CYM HN 39 CYM HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 39 CYM HN 40 ASP HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 563, 573, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 39 CYM HN 42 CYM HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 563, 606, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 39 CYM HN 44 PHE HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 563, 631, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 39 CYM HN 44 PHE HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 563, 632, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 39 CYM HN 44 PHE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 563, 627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 39 CYM HN 44 PHE QD 4.04
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 635, 643,
&end
#
# 39 CYM HN 45 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 563, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 CYM HN 45 THR HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 563, 647, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 39 CYM HN 45 THR QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 653, 654, 655,
&end
#
# 39 CYM HN 46 CYS HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 563, 661, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 39 CYM HN 52 LEU QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 757, 758, 759,
&end
#
# 39 CYM HN 55 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 563, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASP HB2 41 TYR HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 577, 585, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 40 ASP HB2 41 TYR QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 593, 602,
&end
#
# 40 ASP HB2 41 TYR QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 595, 600,
&end
#
# 40 ASP HB3 41 TYR HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 578, 585, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 40 ASP HB3 41 TYR QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 593, 602,
&end
#
# 40 ASP HB3 41 TYR QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 595, 600,
&end
#
# 40 ASP HN 40 ASP HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 573, 577, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 40 ASP HN 40 ASP HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 573, 578, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 40 ASP HN 40 ASP QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 577, 578,
&end
#
# 40 ASP HN 41 TYR HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 573, 589, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 40 ASP HN 41 TYR HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 40 ASP HN 41 TYR QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 593, 602,
&end
#
# 40 ASP HN 41 TYR QE 4.76
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 595, 600,
&end
#
# 40 ASP HN 42 CYM HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 573, 606, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 40 ASP HN 52 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 757, 758, 759,
&end
#
# 40 ASP HN 56 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 835, 836, 837,
&end
#
# 40 ASP QB 41 TYR QE 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 577, 578,
igr2= 595, 600,
&end
#
# 41 TYR HA 41 TYR QD 3.26
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 593, 602,
&end
#
# 41 TYR HA 41 TYR QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 595, 600,
&end
#
# 41 TYR HA 42 CYM HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 41 TYR HB2 42 CYM HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 589, 606, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 41 TYR HB2 56 ILE QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 828, 829, 830,
&end
#
# 41 TYR HB2 60 HIS HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 589, 900, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 41 TYR HB2 60 HIS HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 589, 901, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 41 TYR HB2 60 HIS HD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 589, 909, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 41 TYR HB2 60 HIS HE1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 589, 906, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 TYR HB2 60 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 589, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 TYR HB3 42 CYM HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 590, 606, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 41 TYR HB3 60 HIS HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 590, 909, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 41 TYR HB3 60 HIS HE1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 590, 906, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 41 TYR HN 41 TYR HB2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 585, 589, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 41 TYR HN 41 TYR HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 TYR HN 41 TYR QD 3.53
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 593, 602,
&end
#
# 41 TYR HN 41 TYR QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 595, 600,
&end
#
# 41 TYR HN 42 CYM HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 585, 608, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 41 TYR HN 42 CYM HN 2.86
&rst
ixpk= 0, nxpk= 0, iat= 585, 606, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 41 TYR HN 52 LEU QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 757, 758, 759,
&end
#
# 41 TYR HN 56 ILE HG12 5.27
&rst
ixpk= 0, nxpk= 0, iat= 585, 832, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 41 TYR QD 42 CYM HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 593, 602,
&end
#
# 41 TYR QD 56 ILE HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 593, 602,
&end
#
# 41 TYR QD 56 ILE HG12 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 593, 602,
&end
#
# 41 TYR QD 56 ILE HG13 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 593, 602,
&end
#
# 41 TYR QD 56 ILE QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 593, 602,
igr2= 835, 836, 837,
&end
#
# 41 TYR QD 56 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 593, 602,
igr2= 828, 829, 830,
&end
#
# 41 TYR QD 60 HIS HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 593, 602,
&end
#
# 41 TYR QD 60 HIS HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 593, 602,
&end
#
# 41 TYR QD 60 HIS HD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 593, 602,
&end
#
# 41 TYR QD 63 ILE QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 593, 602,
igr2= 970, 971, 972,
&end
#
# 41 TYR QD 63 ILE QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 593, 602,
igr2= 963, 964, 965,
&end
#
# 41 TYR QE 56 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 595, 600,
&end
#
# 41 TYR QE 56 ILE HG12 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 595, 600,
&end
#
# 41 TYR QE 56 ILE HG13 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 595, 600,
&end
#
# 41 TYR QE 56 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 595, 600,
igr2= 835, 836, 837,
&end
#
# 41 TYR QE 56 ILE QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 595, 600,
igr2= 828, 829, 830,
&end
#
# 41 TYR QE 60 HIS HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 595, 600,
&end
#
# 41 TYR QE 63 ILE QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 595, 600,
igr2= 970, 971, 972,
&end
#
# 41 TYR QE 63 ILE QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 595, 600,
igr2= 967, 968,
&end
#
# 41 TYR QE 63 ILE QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 595, 600,
igr2= 963, 964, 965,
&end
#
# 42 CYM HA 44 PHE HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 608, 627, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 42 CYM HA 60 HIS HE1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 608, 906, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 42 CYM HB2 43 SER HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 42 CYM HB2 43 SER QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 620, 621,
&end
#
# 42 CYM HB2 44 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 CYM HB2 44 PHE HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 611, 631, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 42 CYM HB2 44 PHE HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 611, 627, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 42 CYM HB3 43 SER HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 42 CYM HB3 44 PHE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 610, 627, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 42 CYM HB3 60 HIS HE1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 610, 906, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 42 CYM HN 42 CYM HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 606, 610, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 42 CYM HN 43 SER HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 606, 616, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 42 CYM HN 44 PHE HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 606, 632, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 42 CYM HN 44 PHE HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 606, 627, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 43 SER HA 45 THR QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 653, 654, 655,
&end
#
# 43 SER HB2 44 PHE HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 43 SER HB3 44 PHE HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 621, 627, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 43 SER HN 44 PHE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 43 SER QB 44 PHE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 620, 621,
&end
#
# 44 PHE HA 44 PHE QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 635, 643,
&end
#
# 44 PHE HA 45 THR HN 2.61
&rst
ixpk= 0, nxpk= 0, iat= 629, 647, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 44 PHE HA 45 THR QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 653, 654, 655,
&end
#
# 44 PHE HA 55 HIS HE1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 629, 815, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 44 PHE HB2 45 THR HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 631, 647, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 44 PHE HB2 45 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 653, 654, 655,
&end
#
# 44 PHE HB2 52 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 757, 758, 759,
&end
#
# 44 PHE HB2 55 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 631, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 PHE HB2 55 HIS HE1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 631, 815, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 44 PHE HB3 45 THR HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 632, 647, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 44 PHE HB3 52 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 757, 758, 759,
&end
#
# 44 PHE HB3 55 HIS HD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 632, 818, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 44 PHE HB3 55 HIS HE1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 632, 815, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 44 PHE HN 44 PHE HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 44 PHE HN 44 PHE HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 44 PHE HN 44 PHE QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 635, 643,
&end
#
# 44 PHE HN 45 THR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 627, 647, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 44 PHE HN 45 THR QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 653, 654, 655,
&end
#
# 44 PHE HN 55 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 627, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 PHE HZ 46 CYS HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 639, 665, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 44 PHE HZ 46 CYS HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 639, 666, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 44 PHE HZ 51 HIS QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 735, 736,
&end
#
# 44 PHE HZ 52 LEU HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 639, 750, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 44 PHE HZ 55 HIS HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 639, 809, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 44 PHE HZ 55 HIS HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 639, 810, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 44 PHE QD 45 THR HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 635, 643,
&end
#
# 44 PHE QD 45 THR HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 635, 643,
&end
#
# 44 PHE QD 45 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 635, 643,
igr2= 653, 654, 655,
&end
#
# 44 PHE QD 46 CYS HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 635, 643,
&end
#
# 44 PHE QD 52 LEU HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 635, 643,
&end
#
# 44 PHE QD 52 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 635, 643,
igr2= 757, 758, 759,
&end
#
# 44 PHE QD 52 LEU QD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 635, 643,
igr2= 761, 762, 763,
&end
#
# 44 PHE QD 55 HIS HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 635, 643,
&end
#
# 44 PHE QD 55 HIS HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 635, 643,
&end
#
# 44 PHE QD 55 HIS HE1 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 635, 643,
&end
#
# 44 PHE QE 46 CYS HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 637, 641,
&end
#
# 44 PHE QE 46 CYS HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 637, 641,
&end
#
# 44 PHE QE 51 HIS QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 637, 641,
igr2= 735, 736,
&end
#
# 44 PHE QE 52 LEU HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 637, 641,
&end
#
# 44 PHE QE 52 LEU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 637, 641,
&end
#
# 44 PHE QE 52 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 637, 641,
igr2= 757, 758, 759,
&end
#
# 44 PHE QE 55 HIS HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 637, 641,
&end
#
# 44 PHE QE 55 HIS HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 637, 641,
&end
#
# 44 PHE QE 55 HIS HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 637, 641,
&end
#
# 45 THR HA 45 THR QG2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 653, 654, 655,
&end
#
# 45 THR HA 46 CYS HN 2.89
&rst
ixpk= 0, nxpk= 0, iat= 649, 661, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 45 THR HB 46 CYS HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 45 THR HN 45 THR HB 3.87
&rst
ixpk= 0, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 45 THR HN 45 THR QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 653, 654, 655,
&end
#
# 45 THR HN 46 CYS HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 647, 665, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 45 THR HN 46 CYS HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 647, 661, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 45 THR QG2 46 CYS HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 653, 654, 655,
&end
#
# 46 CYS HB2 48 SER HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 665, 691, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 46 CYS HB2 51 HIS QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 735, 736,
&end
#
# 46 CYS HB2 52 LEU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 665, 750, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 46 CYS HB2 52 LEU HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 665, 748, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 46 CYS HB3 47 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 46 CYS HB3 48 SER HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 666, 691, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 46 CYS HB3 52 LEU HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 666, 752, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 46 CYS HN 46 CYS HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 661, 665, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 47 LEU HB2 48 SER HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 676, 691, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 47 LEU HB3 48 SER HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 677, 691, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 47 LEU HN 47 LEU HG 5.09
&rst
ixpk= 0, nxpk= 0, iat= 672, 679, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 47 LEU HN 48 SER HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 672, 691, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 47 LEU QB 47 LEU QQD 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 676, 677,
igr2= 681, 682, 683, 685, 686, 687,
&end
#
# 47 LEU QB 48 SER HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 676, 677,
&end
#
# 47 LEU QQD 48 SER HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 681, 682, 683, 685, 686, 687,
&end
#
# 48 SER HA 49 LYS HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 693, 704, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 48 SER HA 49 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 693, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 SER HA 49 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 693, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 SER HA 49 LYS QB 4.66
&rst
ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 706, 707,
&end
#
# 48 SER HB2 49 LYS HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 48 SER HB2 51 HIS HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 695, 731, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 48 SER HB2 51 HIS QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 735, 736,
&end
#
# 48 SER HB3 49 LYS HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 696, 702, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 48 SER HB3 51 HIS HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 696, 731, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 48 SER HB3 51 HIS QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 735, 736,
&end
#
# 48 SER HN 48 SER HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 691, 695, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 48 SER HN 48 SER HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 691, 696, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 48 SER HN 49 LYS HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 691, 702, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 48 SER HN 51 HIS QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 735, 736,
&end
#
# 48 SER QB 49 LYS HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 695, 696,
&end
#
# 48 SER QB 49 LYS HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 695, 696,
&end
#
# 48 SER QB 51 HIS HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 695, 696,
&end
#
# 48 SER QB 51 HIS QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 695, 696,
igr2= 735, 736,
&end
#
# 49 LYS HA 49 LYS QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 712, 713,
&end
#
# 49 LYS HA 49 LYS QG 3.49
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 709, 710,
&end
#
# 49 LYS HA 50 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 704, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HA 52 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 704, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HA 52 LEU HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 704, 752, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 49 LYS HA 52 LEU HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 704, 753, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 49 LYS HA 52 LEU HG 5.13
&rst
ixpk= 0, nxpk= 0, iat= 704, 755, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 49 LYS HA 52 LEU HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 704, 748, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 49 LYS HA 52 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 761, 762, 763,
&end
#
# 49 LYS HA 53 LYS HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 704, 767, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 49 LYS HN 49 LYS QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 709, 710,
&end
#
# 49 LYS QB 49 LYS QD 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 706, 707,
igr2= 712, 713,
&end
#
# 49 LYS QB 49 LYS QE 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 706, 707,
igr2= 715, 716,
&end
#
# 49 LYS QB 50 GLY HA2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 706, 707,
&end
#
# 49 LYS QB 50 GLY HA3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 706, 707,
&end
#
# 49 LYS QD 49 LYS QE 2.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 712, 713,
igr2= 715, 716,
&end
#
# 49 LYS QG 49 LYS QE 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 709, 710,
igr2= 715, 716,
&end
#
# 49 LYS QG 50 GLY HA2 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 709, 710,
&end
#
# 49 LYS QG 50 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 709, 710,
&end
#
# 50 GLY HA2 53 LYS HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 726, 767, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 50 GLY HA2 53 LYS QB 3.59
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 771, 772,
&end
#
# 50 GLY HA2 53 LYS QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 777, 778,
&end
#
# 50 GLY HA2 54 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 799, 800, 801,
&end
#
# 50 GLY HA3 52 LEU HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 727, 748, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 50 GLY HA3 53 LYS HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 727, 767, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 50 GLY HA3 53 LYS QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 771, 772,
&end
#
# 50 GLY HA3 53 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 777, 778,
&end
#
# 50 GLY HA3 54 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 799, 800, 801,
&end
#
# 51 HIS HA 51 HIS HD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 733, 744, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 51 HIS HA 53 LYS HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 733, 767, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 51 HIS HA 54 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 733, 791, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 HIS HA 54 VAL HB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 733, 793, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 51 HIS HA 54 VAL HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 733, 789, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 51 HIS HA 54 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 795, 796, 797,
&end
#
# 51 HIS HA 54 VAL QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 799, 800, 801,
&end
#
# 51 HIS HA 55 HIS HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 733, 805, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 51 HIS HD2 52 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 HIS HD2 54 VAL HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 744, 793, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 HIS HD2 54 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 795, 796, 797,
&end
#
# 51 HIS HD2 54 VAL QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 799, 800, 801,
&end
#
# 51 HIS HN 51 HIS HD2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 731, 744, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 51 HIS HN 51 HIS QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 735, 736,
&end
#
# 51 HIS HN 52 LEU HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 731, 753, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 HIS HN 53 LYS HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 731, 767, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 51 HIS HN 54 VAL QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 799, 800, 801,
&end
#
# 51 HIS QB 52 LEU HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 735, 736,
&end
#
# 51 HIS QB 52 LEU HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 735, 736,
&end
#
# 51 HIS QB 52 LEU HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 735, 736,
&end
#
# 51 HIS QB 53 LYS HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 735, 736,
&end
#
# 51 HIS QB 54 VAL HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 735, 736,
&end
#
# 51 HIS QB 54 VAL HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 735, 736,
&end
#
# 51 HIS QB 54 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 735, 736,
igr2= 795, 796, 797,
&end
#
# 51 HIS QB 54 VAL QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 735, 736,
igr2= 799, 800, 801,
&end
#
# 52 LEU HA 52 LEU HG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 750, 755, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 52 LEU HA 52 LEU QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 757, 758, 759,
&end
#
# 52 LEU HA 52 LEU QD2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 761, 762, 763,
&end
#
# 52 LEU HA 53 LYS HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 750, 769, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 52 LEU HA 54 VAL HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 750, 789, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 52 LEU HA 55 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LEU HA 55 HIS HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 750, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 52 LEU HA 55 HIS HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 750, 810, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 52 LEU HA 55 HIS HD2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 750, 818, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 52 LEU HA 55 HIS HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= 750, 805, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 52 LEU HA 56 ILE HG13 5.23
&rst
ixpk= 0, nxpk= 0, iat= 750, 833, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 52 LEU HA 56 ILE HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 750, 822, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 52 LEU HA 56 ILE QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 835, 836, 837,
&end
#
# 52 LEU HB2 52 LEU QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 757, 758, 759,
&end
#
# 52 LEU HB2 52 LEU QD2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 761, 762, 763,
&end
#
# 52 LEU HB2 53 LYS HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 752, 767, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 52 LEU HB3 52 LEU QD2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 761, 762, 763,
&end
#
# 52 LEU HB3 53 LYS HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 52 LEU HG 53 LYS HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 755, 769, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 52 LEU HG 53 LYS HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 755, 767, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 52 LEU HG 55 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 755, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LEU HG 56 ILE HG13 4.61
&rst
ixpk= 0, nxpk= 0, iat= 755, 833, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 52 LEU HG 56 ILE HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= 755, 822, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 52 LEU HG 56 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 835, 836, 837,
&end
#
# 52 LEU HN 52 LEU HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 52 LEU HN 52 LEU HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat= 748, 753, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 52 LEU HN 52 LEU HG 4.71
&rst
ixpk= 0, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 52 LEU HN 52 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 757, 758, 759,
&end
#
# 52 LEU HN 52 LEU QD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 761, 762, 763,
&end
#
# 52 LEU HN 53 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 LEU HN 53 LYS HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 748, 767, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 52 LEU HN 53 LYS QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 771, 772,
&end
#
# 52 LEU HN 54 VAL HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 748, 789, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 52 LEU QD1 53 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 757, 758, 759,
&end
#
# 52 LEU QD1 55 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 757, 758, 759,
&end
#
# 52 LEU QD1 55 HIS HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 757, 758, 759,
&end
#
# 52 LEU QD1 55 HIS HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 757, 758, 759,
&end
#
# 52 LEU QD1 55 HIS HD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 757, 758, 759,
&end
#
# 52 LEU QD1 56 ILE HG13 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 757, 758, 759,
&end
#
# 52 LEU QD1 56 ILE HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 757, 758, 759,
&end
#
# 52 LEU QD1 56 ILE QD1 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 757, 758, 759,
igr2= 835, 836, 837,
&end
#
# 52 LEU QD2 53 LYS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 761, 762, 763,
&end
#
# 52 LEU QD2 56 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 761, 762, 763,
&end
#
# 52 LEU QD2 56 ILE QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 761, 762, 763,
igr2= 835, 836, 837,
&end
#
# 53 LYS HA 53 LYS HG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 769, 774, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 53 LYS HA 53 LYS HG3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 769, 775, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 53 LYS HA 53 LYS QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 771, 772,
&end
#
# 53 LYS HA 53 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 780, 781,
&end
#
# 53 LYS HA 56 ILE HB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 769, 826, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 53 LYS HA 56 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 769, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HA 56 ILE HG13 4.61
&rst
ixpk= 0, nxpk= 0, iat= 769, 833, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 53 LYS HA 56 ILE HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 769, 822, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 53 LYS HA 56 ILE QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 835, 836, 837,
&end
#
# 53 LYS HG2 53 LYS QD 2.92
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 777, 778,
&end
#
# 53 LYS HG2 53 LYS QE 3.86
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 780, 781,
&end
#
# 53 LYS HG2 54 VAL HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 774, 791, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 53 LYS HG2 54 VAL HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 774, 789, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 53 LYS HG2 54 VAL QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 799, 800, 801,
&end
#
# 53 LYS HG2 55 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS HG2 57 GLU HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 774, 848, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 53 LYS HG2 57 GLU HG3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 774, 849, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 53 LYS HG2 57 GLU HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 774, 841, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 53 LYS HG2 57 GLU QG 4.25
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 848, 849,
&end
#
# 53 LYS HG3 53 LYS QE 3.84
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 780, 781,
&end
#
# 53 LYS HG3 54 VAL HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= 775, 791, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 53 LYS HG3 54 VAL HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 775, 789, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 53 LYS HG3 57 GLU QG 4.52
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 848, 849,
&end
#
# 53 LYS HN 53 LYS HG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 767, 774, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 53 LYS HN 53 LYS HG3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 767, 775, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 53 LYS HN 53 LYS QB 2.83
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 771, 772,
&end
#
# 53 LYS HN 53 LYS QD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 777, 778,
&end
#
# 53 LYS HN 53 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 780, 781,
&end
#
# 53 LYS HN 54 VAL HB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 767, 793, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 53 LYS HN 54 VAL HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 767, 789, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 53 LYS HN 54 VAL QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 799, 800, 801,
&end
#
# 53 LYS HN 56 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 835, 836, 837,
&end
#
# 53 LYS QB 53 LYS QD 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 771, 772,
igr2= 777, 778,
&end
#
# 53 LYS QB 53 LYS QE 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 771, 772,
igr2= 780, 781,
&end
#
# 53 LYS QB 54 VAL HN 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 771, 772,
&end
#
# 53 LYS QD 53 LYS QE 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 777, 778,
igr2= 780, 781,
&end
#
# 53 LYS QD 54 VAL HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 777, 778,
&end
#
# 53 LYS QD 54 VAL HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 777, 778,
&end
#
# 53 LYS QE 54 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 780, 781,
&end
#
# 54 VAL HA 54 VAL QG1 3.02
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 795, 796, 797,
&end
#
# 54 VAL HA 54 VAL QG2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 799, 800, 801,
&end
#
# 54 VAL HA 56 ILE HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 791, 822, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 54 VAL HA 57 GLU HB2 3.03
&rst
ixpk= 0, nxpk= 0, iat= 791, 845, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 54 VAL HA 57 GLU HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 791, 846, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 54 VAL HA 57 GLU HG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 791, 848, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 54 VAL HA 57 GLU HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 791, 849, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 54 VAL HA 57 GLU HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 791, 841, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 54 VAL HA 57 GLU QG 3.81
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 848, 849,
&end
#
# 54 VAL HA 58 ARG HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 791, 856, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 54 VAL HA 58 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 866, 867,
&end
#
# 54 VAL HB 55 HIS HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 54 VAL HB 55 HIS HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 793, 809, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 54 VAL HB 55 HIS HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 793, 810, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 54 VAL HB 55 HIS HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 54 VAL HB 58 ARG QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 866, 867,
&end
#
# 54 VAL HN 54 VAL HB 3.06
&rst
ixpk= 0, nxpk= 0, iat= 789, 793, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 54 VAL HN 54 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 795, 796, 797,
&end
#
# 54 VAL HN 54 VAL QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 799, 800, 801,
&end
#
# 54 VAL HN 55 HIS HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 789, 810, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 54 VAL HN 55 HIS HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 789, 805, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 54 VAL HN 56 ILE HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 789, 822, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 54 VAL HN 57 GLU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 789, 841, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 54 VAL QG1 55 HIS HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 55 HIS HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 55 HIS HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 55 HIS HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 57 GLU HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 57 GLU HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 58 ARG HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 58 ARG HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 58 ARG HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 795, 796, 797,
&end
#
# 54 VAL QG1 58 ARG QD 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 795, 796, 797,
igr2= 866, 867,
&end
#
# 54 VAL QG2 55 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 799, 800, 801,
&end
#
# 54 VAL QG2 55 HIS HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 799, 800, 801,
&end
#
# 54 VAL QG2 57 GLU HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 799, 800, 801,
&end
#
# 54 VAL QG2 57 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 799, 800, 801,
&end
#
# 54 VAL QG2 57 GLU QG 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 799, 800, 801,
igr2= 848, 849,
&end
#
# 54 VAL QG2 58 ARG QD 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 799, 800, 801,
igr2= 866, 867,
&end
#
# 55 HIS HA 55 HIS HD2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 807, 818, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 55 HIS HA 56 ILE HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 807, 824, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 55 HIS HA 56 ILE HG13 5.36
&rst
ixpk= 0, nxpk= 0, iat= 807, 833, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 55 HIS HA 58 ARG HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 807, 861, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 HIS HA 58 ARG HG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 807, 863, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 55 HIS HA 58 ARG HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 807, 864, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 55 HIS HA 58 ARG HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 807, 856, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 55 HIS HA 58 ARG QD 3.63
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 866, 867,
&end
#
# 55 HIS HA 59 VAL HB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 807, 884, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 55 HIS HA 59 VAL HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 807, 880, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 55 HIS HA 59 VAL QQG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 55 HIS HA 60 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 807, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 HIS HB2 55 HIS HE1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 809, 815, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 55 HIS HB2 56 ILE HG13 5.16
&rst
ixpk= 0, nxpk= 0, iat= 809, 833, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 55 HIS HB2 56 ILE HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 809, 822, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 55 HIS HB2 59 VAL QQG 4.96
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 55 HIS HB3 56 ILE HG13 4.21
&rst
ixpk= 0, nxpk= 0, iat= 810, 833, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 55 HIS HB3 56 ILE HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 810, 822, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 55 HIS HB3 56 ILE QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 835, 836, 837,
&end
#
# 55 HIS HB3 59 VAL QQG 5.10
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 55 HIS HD2 56 ILE HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= 818, 824, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 55 HIS HD2 56 ILE HB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 818, 826, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 55 HIS HD2 56 ILE HG12 3.83
&rst
ixpk= 0, nxpk= 0, iat= 818, 832, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 55 HIS HD2 56 ILE HG13 3.65
&rst
ixpk= 0, nxpk= 0, iat= 818, 833, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 55 HIS HD2 56 ILE HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 818, 822, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 55 HIS HD2 56 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 835, 836, 837,
&end
#
# 55 HIS HD2 60 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 818, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 HIS HD2 60 HIS HD2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 818, 909, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 55 HIS HE1 59 VAL HB 4.30
&rst
ixpk= 0, nxpk= 0, iat= 815, 884, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 55 HIS HE1 59 VAL QG1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 886, 887, 888,
&end
#
# 55 HIS HE1 59 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 890, 891, 892,
&end
#
# 55 HIS HE1 59 VAL QQG 3.18
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 55 HIS HN 55 HIS HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 805, 809, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 55 HIS HN 55 HIS HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat= 805, 810, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 55 HIS HN 55 HIS HD2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 805, 818, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 55 HIS HN 56 ILE HG13 5.05
&rst
ixpk= 0, nxpk= 0, iat= 805, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 55 HIS HN 56 ILE HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 805, 822, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 55 HIS HN 58 ARG QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 866, 867,
&end
#
# 56 ILE HA 56 ILE HG12 3.46
&rst
ixpk= 0, nxpk= 0, iat= 824, 832, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 56 ILE HA 56 ILE HG13 3.59
&rst
ixpk= 0, nxpk= 0, iat= 824, 833, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 56 ILE HA 56 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 835, 836, 837,
&end
#
# 56 ILE HA 56 ILE QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 828, 829, 830,
&end
#
# 56 ILE HA 58 ARG HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 824, 856, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 56 ILE HA 59 VAL HB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 824, 884, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 56 ILE HA 59 VAL HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 824, 880, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 56 ILE HA 59 VAL QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 886, 887, 888,
&end
#
# 56 ILE HA 59 VAL QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 890, 891, 892,
&end
#
# 56 ILE HA 59 VAL QQG 4.34
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 ILE HA 60 HIS HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 824, 898, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 56 ILE HA 60 HIS HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 824, 900, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 56 ILE HA 60 HIS HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 824, 901, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 56 ILE HA 60 HIS HD2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 824, 909, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 56 ILE HA 60 HIS HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 824, 896, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 ILE HA 61 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 917, 918,
&end
#
# 56 ILE HB 56 ILE QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 835, 836, 837,
&end
#
# 56 ILE HB 57 GLU HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 826, 841, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 56 ILE HB 57 GLU QG 3.74
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 848, 849,
&end
#
# 56 ILE HB 60 HIS HD2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 826, 909, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 56 ILE HG12 60 HIS HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 832, 900, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 56 ILE HG12 60 HIS HD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 832, 909, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 ILE HG13 57 GLU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 833, 841, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 56 ILE HG13 60 HIS HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 833, 909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 ILE HN 56 ILE HB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 56 ILE HN 56 ILE HG12 3.84
&rst
ixpk= 0, nxpk= 0, iat= 822, 832, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 56 ILE HN 56 ILE HG13 3.39
&rst
ixpk= 0, nxpk= 0, iat= 822, 833, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 56 ILE HN 56 ILE QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 835, 836, 837,
&end
#
# 56 ILE HN 56 ILE QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 828, 829, 830,
&end
#
# 56 ILE HN 57 GLU HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 822, 843, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 56 ILE HN 57 GLU HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 822, 841, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 56 ILE HN 58 ARG HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 822, 856, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 56 ILE HN 60 HIS HD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 822, 909, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 56 ILE QD1 57 GLU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 835, 836, 837,
&end
#
# 56 ILE QD1 60 HIS HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 835, 836, 837,
&end
#
# 56 ILE QD1 60 HIS HD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 835, 836, 837,
&end
#
# 56 ILE QG2 56 ILE HG12 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 56 ILE HG13 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 56 ILE QD1 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 828, 829, 830,
igr2= 835, 836, 837,
&end
#
# 56 ILE QG2 57 GLU HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 57 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 57 GLU HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 57 GLU QG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 828, 829, 830,
igr2= 848, 849,
&end
#
# 56 ILE QG2 58 ARG HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 59 VAL HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 60 HIS HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 60 HIS HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 60 HIS HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 60 HIS HD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 60 HIS HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 61 LYS HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 828, 829, 830,
&end
#
# 56 ILE QG2 61 LYS QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 828, 829, 830,
igr2= 917, 918,
&end
#
# 57 GLU HA 57 GLU HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 843, 848, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 57 GLU HA 57 GLU HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 843, 849, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 57 GLU HA 57 GLU QG 3.28
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 848, 849,
&end
#
# 57 GLU HA 61 LYS HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 843, 915, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 57 GLU HA 61 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 843, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HA 61 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 843, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HA 61 LYS HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 843, 913, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 57 GLU HA 61 LYS QB 3.51
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 917, 918,
&end
#
# 57 GLU HA 61 LYS QD 5.32
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 923, 924,
&end
#
# 57 GLU HA 61 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 926, 927,
&end
#
# 57 GLU HB2 58 ARG HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= 845, 856, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 57 GLU HB2 61 LYS QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 917, 918,
&end
#
# 57 GLU HB3 58 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 846, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLU HB3 58 ARG HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 846, 856, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 57 GLU HG2 58 ARG HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 848, 856, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 57 GLU HG3 58 ARG HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 849, 856, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 57 GLU HN 57 GLU HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 841, 845, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 57 GLU HN 57 GLU HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 841, 846, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 57 GLU HN 57 GLU HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 841, 848, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 57 GLU HN 57 GLU HG3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 841, 849, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 57 GLU HN 58 ARG HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 841, 856, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 57 GLU HN 58 ARG QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 863, 864,
&end
#
# 57 GLU HN 59 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 GLU HN 61 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 917, 918,
&end
#
# 57 GLU QG 58 ARG HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 848, 849,
&end
#
# 58 ARG HA 58 ARG QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 866, 867,
&end
#
# 58 ARG HA 59 VAL QQG 5.06
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 58 ARG HA 60 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 858, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ARG HA 61 LYS QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 926, 927,
&end
#
# 58 ARG HB2 58 ARG QD 3.66
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 866, 867,
&end
#
# 58 ARG HB2 59 VAL HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 860, 882, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 58 ARG HB3 58 ARG QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 866, 867,
&end
#
# 58 ARG HB3 59 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 861, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ARG HB3 59 VAL QQG 4.72
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 58 ARG HG2 59 VAL QG1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 886, 887, 888,
&end
#
# 58 ARG HG2 59 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 890, 891, 892,
&end
#
# 58 ARG HG3 59 VAL QG1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 886, 887, 888,
&end
#
# 58 ARG HG3 59 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 890, 891, 892,
&end
#
# 58 ARG HN 58 ARG HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 856, 860, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 58 ARG HN 58 ARG HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 856, 861, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 58 ARG HN 58 ARG HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 856, 863, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 58 ARG HN 58 ARG HG3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 856, 864, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 58 ARG HN 58 ARG QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 866, 867,
&end
#
# 58 ARG HN 58 ARG QG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 863, 864,
&end
#
# 58 ARG HN 59 VAL HB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 856, 884, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 58 ARG HN 59 VAL QQG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 58 ARG HN 60 HIS HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 856, 896, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 58 ARG QD 59 VAL HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 866, 867,
&end
#
# 58 ARG QD 59 VAL QQG 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 866, 867,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 58 ARG QG 59 VAL HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 863, 864,
&end
#
# 58 ARG QG 59 VAL HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 863, 864,
&end
#
# 58 ARG QG 59 VAL QQG 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 863, 864,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 59 VAL HA 59 VAL QG1 3.23
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 886, 887, 888,
&end
#
# 59 VAL HA 59 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 890, 891, 892,
&end
#
# 59 VAL HA 59 VAL QQG 2.79
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 59 VAL HB 60 HIS HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 59 VAL HB 60 HIS HD2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 884, 909, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 59 VAL HB 60 HIS HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 884, 896, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 59 VAL HN 59 VAL HB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 59 VAL HN 59 VAL QG1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 886, 887, 888,
&end
#
# 59 VAL HN 59 VAL QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 890, 891, 892,
&end
#
# 59 VAL HN 59 VAL QQG 2.96
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 59 VAL HN 60 HIS HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 880, 898, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 59 VAL HN 60 HIS HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 880, 909, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 59 VAL HN 60 HIS HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 880, 896, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 59 VAL HN 61 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 880, 913, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 59 VAL QG1 60 HIS HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 886, 887, 888,
&end
#
# 59 VAL QG1 60 HIS HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 886, 887, 888,
&end
#
# 59 VAL QG2 60 HIS HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 890, 891, 892,
&end
#
# 59 VAL QG2 60 HIS HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 890, 891, 892,
&end
#
# 59 VAL QQG 60 HIS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 59 VAL QQG 60 HIS HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 59 VAL QQG 60 HIS HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 59 VAL QQG 60 HIS HE1 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 59 VAL QQG 60 HIS HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 60 HIS HA 60 HIS HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 898, 909, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 60 HIS HA 61 LYS HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 HIS HB2 60 HIS HD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 900, 909, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 60 HIS HB2 61 LYS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 900, 913, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 60 HIS HB2 63 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 970, 971, 972,
&end
#
# 60 HIS HB2 63 ILE QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 963, 964, 965,
&end
#
# 60 HIS HB3 60 HIS HD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 901, 909, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 60 HIS HB3 61 LYS HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 901, 913, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 60 HIS HB3 63 ILE HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 901, 961, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 60 HIS HB3 63 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 970, 971, 972,
&end
#
# 60 HIS HB3 63 ILE QG1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 967, 968,
&end
#
# 60 HIS HB3 63 ILE QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 963, 964, 965,
&end
#
# 60 HIS HE1 63 ILE QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 970, 971, 972,
&end
#
# 60 HIS HN 60 HIS HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 896, 900, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 60 HIS HN 60 HIS HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 896, 901, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 60 HIS HN 60 HIS HD2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 896, 909, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 60 HIS HN 61 LYS HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 896, 915, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 60 HIS HN 61 LYS HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= 896, 913, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 60 HIS HN 61 LYS QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 917, 918,
&end
#
# 61 LYS HA 61 LYS QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 923, 924,
&end
#
# 61 LYS HA 61 LYS QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 920, 921,
&end
#
# 61 LYS HA 62 LYS HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 915, 935, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 61 LYS HN 61 LYS HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 913, 917, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 61 LYS HN 61 LYS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 913, 918, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 61 LYS HN 61 LYS HG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 61 LYS HN 61 LYS HG3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 913, 921, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 61 LYS HN 61 LYS QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 917, 918,
&end
#
# 61 LYS HN 61 LYS QD 4.78
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 923, 924,
&end
#
# 61 LYS HN 61 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 926, 927,
&end
#
# 61 LYS HN 61 LYS QG 4.23
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 920, 921,
&end
#
# 61 LYS QD 62 LYS HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 923, 924,
&end
#
# 61 LYS QE 62 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 926, 927,
&end
#
# 61 LYS QG 61 LYS QE 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 920, 921,
igr2= 926, 927,
&end
#
# 61 LYS QG 62 LYS HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 920, 921,
&end
#
# 62 LYS HA 62 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 948, 949,
&end
#
# 62 LYS HA 62 LYS QG 3.33
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 942, 943,
&end
#
# 62 LYS HA 63 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 937, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS HA 63 ILE HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 937, 957, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 62 LYS HA 63 ILE HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 937, 957, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 62 LYS HA 63 ILE QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 963, 964, 965,
&end
#
# 62 LYS HB2 63 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 939, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS HB3 63 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 940, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LYS QB 62 LYS QE 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 939, 940,
igr2= 948, 949,
&end
#
# 62 LYS QG 63 ILE HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 942, 943,
&end
#
# 63 ILE HA 63 ILE HG12 3.85
&rst
ixpk= 0, nxpk= 0, iat= 959, 967, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 63 ILE HA 63 ILE HG13 3.85
&rst
ixpk= 0, nxpk= 0, iat= 959, 968, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 63 ILE HA 63 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 970, 971, 972,
&end
#
# 63 ILE HA 63 ILE QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 963, 964, 965,
&end
#
# 63 ILE HA 64 LYS HN 2.30
&rst
ixpk= 0, nxpk= 0, iat= 959, 976, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 63 ILE HA 64 LYS HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 959, 976, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 63 ILE HB 63 ILE QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 970, 971, 972,
&end
#
# 63 ILE HB 64 LYS HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 961, 976, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 63 ILE HN 63 ILE HB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 957, 961, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 63 ILE HN 63 ILE HG12 4.78
&rst
ixpk= 0, nxpk= 0, iat= 957, 967, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 63 ILE HN 63 ILE HG13 4.78
&rst
ixpk= 0, nxpk= 0, iat= 957, 968, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 63 ILE HN 63 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 970, 971, 972,
&end
#
# 63 ILE HN 63 ILE QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 967, 968,
&end
#
# 63 ILE HN 63 ILE QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 963, 964, 965,
&end
#
# 63 ILE QD1 65 GLN QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 970, 971, 972,
igr2=1005,1006,
&end
#
# 63 ILE QG1 64 LYS HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 967, 968,
&end
#
# 63 ILE QG1 64 LYS QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 967, 968,
igr2= 980, 981,
&end
#
# 63 ILE QG1 64 LYS QG 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 967, 968,
igr2= 983, 984,
&end
#
# 63 ILE QG2 63 ILE HG12 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 963, 964, 965,
&end
#
# 63 ILE QG2 63 ILE HG13 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 963, 964, 965,
&end
#
# 63 ILE QG2 63 ILE QG1 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 963, 964, 965,
igr2= 967, 968,
&end
#
# 63 ILE QG2 64 LYS HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 963, 964, 965,
&end
#
# 63 ILE QG2 64 LYS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 963, 964, 965,
&end
#
# 63 ILE QG2 65 GLN HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 963, 964, 965,
&end
#
# 63 ILE QG2 65 GLN QE2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 963, 964, 965,
igr2=1010,1011,
&end
#
# 63 ILE QG2 65 GLN QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 963, 964, 965,
igr2=1005,1006,
&end
#
# 64 LYS HA 64 LYS HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 978, 983, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 64 LYS HA 64 LYS HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 978, 984, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 64 LYS HA 64 LYS QG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 983, 984,
&end
#
# 64 LYS HA 74 TYR HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 978,1162, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 64 LYS HN 64 LYS QB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 980, 981,
&end
#
# 64 LYS HN 64 LYS QG 4.23
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 983, 984,
&end
#
# 64 LYS QB 64 LYS QE 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 980, 981,
igr2= 989, 990,
&end
#
# 64 LYS QB 73 LYS QG 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 980, 981,
igr2=1147,1148,
&end
#
# 64 LYS QB 74 TYR HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 980, 981,
&end
#
# 65 GLN HA 65 GLN HG2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1000,1005, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 65 GLN HA 65 GLN HG3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1000,1006, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 65 GLN HA 65 GLN QE2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1010,1011,
&end
#
# 65 GLN HA 65 GLN QG 3.57
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1005,1006,
&end
#
# 65 GLN HA 66 HIS HN 3.33
&rst
ixpk= 0, nxpk= 0, iat=1000,1015, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 65 GLN HA 66 HIS QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1019,1020,
&end
#
# 65 GLN HA 80 LEU QQD 5.15
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 65 GLN HB2 66 HIS HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1002,1015, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 GLN HB2 74 TYR HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1002,1162, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 65 GLN HB3 66 HIS HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1003,1015, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 GLN HB3 74 TYR HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1003,1162, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 65 GLN HG2 77 VAL HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=1005,1208, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 65 GLN HG3 77 VAL HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=1006,1208, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 65 GLN QB 65 GLN QE2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1002,1003,
igr2=1010,1011,
&end
#
# 65 GLN QB 66 HIS HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1002,1003,
&end
#
# 65 GLN QB 74 TYR HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1002,1003,
&end
#
# 65 GLN QB 74 TYR QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1002,1003,
igr2=1166,1167,
&end
#
# 65 GLN QB 74 TYR QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1002,1003,
igr2=1170,1179,
&end
#
# 65 GLN QB 77 VAL HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1002,1003,
&end
#
# 65 GLN QB 80 LEU HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1002,1003,
&end
#
# 65 GLN QB 80 LEU HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1002,1003,
&end
#
# 65 GLN QB 80 LEU HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1002,1003,
&end
#
# 65 GLN QB 80 LEU QQD 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1002,1003,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 65 GLN QE2 77 VAL HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1010,1011,
&end
#
# 65 GLN QE2 77 VAL QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1010,1011,
igr2=1216,1217,1218,
&end
#
# 65 GLN QE2 80 LEU QQD 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1010,1011,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 65 GLN QG 65 GLN QE2 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1005,1006,
igr2=1010,1011,
&end
#
# 65 GLN QG 66 HIS HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1005,1006,
&end
#
# 65 GLN QG 74 TYR HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1005,1006,
&end
#
# 65 GLN QG 77 VAL HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1005,1006,
&end
#
# 65 GLN QG 77 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1005,1006,
igr2=1212,1213,1214,
&end
#
# 65 GLN QG 77 VAL QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1005,1006,
igr2=1216,1217,1218,
&end
#
# 65 GLN QG 80 LEU QQD 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1005,1006,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 66 HIS HA 67 CYM HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1017,1037, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 HIS HA 67 CYM HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat=1017,1036, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 66 HIS HA 67 CYM HN 3.21
&rst
ixpk= 0, nxpk= 0, iat=1017,1032, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 66 HIS HA 71 LYS HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1017,1098, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 66 HIS HA 73 LYS HA 3.61
&rst
ixpk= 0, nxpk= 0, iat=1017,1142, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 66 HIS HA 73 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1017,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 HIS HA 73 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1017,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 HIS HA 73 LYS QG 4.74
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1147,1148,
&end
#
# 66 HIS HA 74 TYR HN 3.90
&rst
ixpk= 0, nxpk= 0, iat=1017,1162, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 66 HIS HA 74 TYR QD 4.69
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1170,1179,
&end
#
# 66 HIS HA 80 LEU QD1 5.27
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1267,1268,1269,
&end
#
# 66 HIS HA 80 LEU QD2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1271,1272,1273,
&end
#
# 66 HIS HA 80 LEU QQD 4.29
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 66 HIS HD2 68 ARG HA 4.24
&rst
ixpk= 0, nxpk= 0, iat=1028,1044, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 66 HIS HD2 68 ARG QB 5.18
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1046,1047,
&end
#
# 66 HIS HD2 71 LYS HA 4.43
&rst
ixpk= 0, nxpk= 0, iat=1028,1098, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 66 HIS HD2 71 LYS QD 4.98
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1106,1107,
&end
#
# 66 HIS HN 66 HIS HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1015,1028, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 66 HIS HN 66 HIS QB 3.71
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1019,1020,
&end
#
# 66 HIS HN 67 CYM HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1015,1032, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 66 HIS HN 80 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1267,1268,1269,
&end
#
# 66 HIS HN 80 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1271,1272,1273,
&end
#
# 66 HIS HN 80 LEU QQD 4.54
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 66 HIS QB 66 HIS HE1 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1019,1020,
&end
#
# 66 HIS QB 67 CYM HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1019,1020,
&end
#
# 66 HIS QB 67 CYM HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1019,1020,
&end
#
# 66 HIS QB 71 LYS HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1019,1020,
&end
#
# 66 HIS QB 71 LYS QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1019,1020,
igr2=1100,1101,
&end
#
# 66 HIS QB 73 LYS HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1019,1020,
&end
#
# 66 HIS QB 73 LYS HG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1019,1020,
&end
#
# 66 HIS QB 73 LYS HG3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1019,1020,
&end
#
# 66 HIS QB 73 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1019,1020,
igr2=1144,1145,
&end
#
# 66 HIS QB 73 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1019,1020,
igr2=1150,1151,
&end
#
# 66 HIS QB 73 LYS QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1019,1020,
igr2=1147,1148,
&end
#
# 66 HIS QB 74 TYR HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1019,1020,
&end
#
# 67 CYM HA 80 LEU QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1267,1268,1269,
&end
#
# 67 CYM HA 80 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1271,1272,1273,
&end
#
# 67 CYM HA 80 LEU QQD 3.16
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 67 CYM HA 83 HIS HD2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1034,1331, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 67 CYM HA 84 ILE QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1348,1349,1350,
&end
#
# 67 CYM HB2 70 CYM HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=1037,1086, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 67 CYM HB2 71 LYS HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=1037,1096, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 67 CYM HB2 72 LYS HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1037,1122, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 67 CYM HB2 72 LYS HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat=1037,1123, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 67 CYM HB2 72 LYS HN 4.09
&rst
ixpk= 0, nxpk= 0, iat=1037,1118, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 67 CYM HB2 74 TYR QE 3.85
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1172,1177,
&end
#
# 67 CYM HB2 80 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1267,1268,1269,
&end
#
# 67 CYM HB2 80 LEU QD2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1271,1272,1273,
&end
#
# 67 CYM HB2 80 LEU QQD 3.46
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 67 CYM HB2 83 HIS HD2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1037,1331, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 67 CYM HB2 84 ILE QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1348,1349,1350,
&end
#
# 67 CYM HB3 69 PHE QB 4.91
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1070,1071,
&end
#
# 67 CYM HB3 69 PHE QD 5.46
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1074,1082,
&end
#
# 67 CYM HB3 70 CYM HN 3.90
&rst
ixpk= 0, nxpk= 0, iat=1036,1086, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 67 CYM HB3 71 LYS HA 4.55
&rst
ixpk= 0, nxpk= 0, iat=1036,1098, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 67 CYM HB3 71 LYS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat=1036,1096, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 67 CYM HB3 72 LYS HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1036,1122, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 67 CYM HB3 72 LYS HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat=1036,1123, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 67 CYM HB3 72 LYS HN 3.79
&rst
ixpk= 0, nxpk= 0, iat=1036,1118, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 67 CYM HB3 72 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1125,1126,
&end
#
# 67 CYM HB3 74 TYR QE 4.48
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1172,1177,
&end
#
# 67 CYM HB3 80 LEU QQD 3.92
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 67 CYM HB3 83 HIS HD2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1036,1331, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 67 CYM HB3 84 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1348,1349,1350,
&end
#
# 67 CYM HN 67 CYM HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1032,1037, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 67 CYM HN 67 CYM HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat=1032,1036, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 67 CYM HN 71 LYS HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=1032,1098, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 67 CYM HN 71 LYS HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=1032,1096, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 67 CYM HN 72 LYS HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1032,1118, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 67 CYM HN 73 LYS HA 4.16
&rst
ixpk= 0, nxpk= 0, iat=1032,1142, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 67 CYM HN 74 TYR HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1032,1162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 67 CYM HN 74 TYR QD 4.82
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1170,1179,
&end
#
# 67 CYM HN 74 TYR QE 4.85
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1172,1177,
&end
#
# 67 CYM HN 80 LEU QQD 4.15
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 68 ARG HA 68 ARG HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1044,1049, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 68 ARG HA 68 ARG HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat=1044,1050, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 68 ARG HA 68 ARG QD 4.09
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1052,1053,
&end
#
# 68 ARG HA 68 ARG QG 3.70
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1049,1050,
&end
#
# 68 ARG HD2 69 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ARG HD2 69 PHE QE 4.96
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1076,1080,
&end
#
# 68 ARG HD3 69 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1053,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ARG HD3 69 PHE QE 4.96
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1076,1080,
&end
#
# 68 ARG HG2 69 PHE QD 4.96
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1074,1082,
&end
#
# 68 ARG HG2 69 PHE QE 5.11
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1076,1080,
&end
#
# 68 ARG HG3 69 PHE QD 4.96
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1074,1082,
&end
#
# 68 ARG HG3 69 PHE QE 5.11
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1076,1080,
&end
#
# 68 ARG HN 68 ARG QG 4.85
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1049,1050,
&end
#
# 68 ARG HN 69 PHE HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1042,1066, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 68 ARG QB 68 ARG QD 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1046,1047,
igr2=1052,1053,
&end
#
# 68 ARG QD 69 PHE HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1052,1053,
&end
#
# 68 ARG QD 69 PHE QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1052,1053,
igr2=1076,1080,
&end
#
# 68 ARG QG 69 PHE HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1049,1050,
&end
#
# 68 ARG QG 69 PHE QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1049,1050,
igr2=1074,1082,
&end
#
# 68 ARG QG 69 PHE QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1049,1050,
igr2=1076,1080,
&end
#
# 69 PHE HA 69 PHE QD 3.56
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1074,1082,
&end
#
# 69 PHE HA 69 PHE QE 4.81
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1076,1080,
&end
#
# 69 PHE HB2 70 CYM HN 3.82
&rst
ixpk= 0, nxpk= 0, iat=1070,1086, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 PHE HB2 88 HIS HE1 4.84
&rst
ixpk= 0, nxpk= 0, iat=1070,1410, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 69 PHE HB3 70 CYM HN 3.82
&rst
ixpk= 0, nxpk= 0, iat=1071,1086, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 PHE HB3 88 HIS HE1 4.84
&rst
ixpk= 0, nxpk= 0, iat=1071,1410, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 69 PHE HN 69 PHE HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 69 PHE HN 69 PHE HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1066,1071, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 69 PHE HN 69 PHE QB 3.31
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1070,1071,
&end
#
# 69 PHE HN 69 PHE QD 3.80
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1074,1082,
&end
#
# 69 PHE HN 70 CYM HN 3.30
&rst
ixpk= 0, nxpk= 0, iat=1066,1086, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 69 PHE HN 71 LYS HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=1066,1096, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 PHE HZ 84 ILE QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1348,1349,1350,
&end
#
# 69 PHE HZ 84 ILE QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1341,1342,1343,
&end
#
# 69 PHE HZ 88 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1078,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 PHE QB 70 CYM HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1070,1071,
&end
#
# 69 PHE QB 71 LYS HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1070,1071,
&end
#
# 69 PHE QB 84 ILE QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1070,1071,
igr2=1341,1342,1343,
&end
#
# 69 PHE QB 88 HIS HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1070,1071,
&end
#
# 69 PHE QD 70 CYM HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1074,1082,
&end
#
# 69 PHE QD 84 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1074,1082,
&end
#
# 69 PHE QD 84 ILE HG12 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1074,1082,
&end
#
# 69 PHE QD 84 ILE HG13 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1074,1082,
&end
#
# 69 PHE QD 84 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1074,1082,
igr2=1348,1349,1350,
&end
#
# 69 PHE QD 84 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1074,1082,
igr2=1341,1342,1343,
&end
#
# 69 PHE QD 88 HIS HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1074,1082,
&end
#
# 69 PHE QD 88 HIS HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1074,1082,
&end
#
# 69 PHE QD 88 HIS HD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1074,1082,
&end
#
# 69 PHE QE 84 ILE HG12 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1076,1080,
&end
#
# 69 PHE QE 84 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1076,1080,
&end
#
# 69 PHE QE 84 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1076,1080,
igr2=1348,1349,1350,
&end
#
# 69 PHE QE 84 ILE QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1076,1080,
igr2=1341,1342,1343,
&end
#
# 69 PHE QE 88 HIS HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1076,1080,
&end
#
# 69 PHE QE 88 HIS HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1076,1080,
&end
#
# 69 PHE QE 88 HIS HD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1076,1080,
&end
#
# 70 CYM HA 71 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1088,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 CYM HA 71 LYS QG 5.14
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1103,1104,
&end
#
# 70 CYM HA 72 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1088,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 CYM HA 72 LYS HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=1088,1118, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 70 CYM HA 88 HIS HE1 4.60
&rst
ixpk= 0, nxpk= 0, iat=1088,1410, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 70 CYM HB2 71 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 70 CYM HB3 71 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=1090,1096, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 70 CYM HN 70 CYM HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 70 CYM HN 70 CYM HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1086,1090, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 70 CYM HN 71 LYS HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1086,1098, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 70 CYM HN 72 LYS HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=1086,1118, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 70 CYM HN 88 HIS HE1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1086,1410, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 70 CYM QB 72 LYS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1091,1090,
&end
#
# 70 CYM QB 88 HIS HE1 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1091,1090,
&end
#
# 71 LYS HA 71 LYS HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1098,1103, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 71 LYS HA 71 LYS HG3 4.01
&rst
ixpk= 0, nxpk= 0, iat=1098,1104, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 71 LYS HA 71 LYS QD 3.91
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1106,1107,
&end
#
# 71 LYS HA 71 LYS QG 3.48
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1103,1104,
&end
#
# 71 LYS HN 71 LYS HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1096,1100, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 71 LYS HN 71 LYS HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1096,1101, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 71 LYS HN 71 LYS HD2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1096,1106, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 71 LYS HN 71 LYS HD3 5.12
&rst
ixpk= 0, nxpk= 0, iat=1096,1107, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 71 LYS HN 71 LYS HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1096,1103, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 71 LYS HN 71 LYS HG3 4.74
&rst
ixpk= 0, nxpk= 0, iat=1096,1104, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 71 LYS HN 71 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1109,1110,
&end
#
# 71 LYS HN 71 LYS QG 4.02
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1103,1104,
&end
#
# 71 LYS HN 72 LYS HN 3.99
&rst
ixpk= 0, nxpk= 0, iat=1096,1118, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 71 LYS QB 71 LYS QD 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1100,1101,
igr2=1106,1107,
&end
#
# 71 LYS QB 72 LYS HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1100,1101,
&end
#
# 72 LYS HA 72 LYS HG2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 72 LYS HA 72 LYS HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1120,1126, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 72 LYS HA 72 LYS QE 4.61
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1131,1132,
&end
#
# 72 LYS HA 72 LYS QG 2.94
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1125,1126,
&end
#
# 72 LYS HA 73 LYS HN 2.90
&rst
ixpk= 0, nxpk= 0, iat=1120,1140, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 72 LYS HA 73 LYS QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1144,1145,
&end
#
# 72 LYS HA 73 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1147,1148,
&end
#
# 72 LYS HA 74 TYR QE 4.97
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1172,1177,
&end
#
# 72 LYS HB2 72 LYS QE 5.16
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1131,1132,
&end
#
# 72 LYS HB2 74 TYR QD 5.15
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1170,1179,
&end
#
# 72 LYS HB2 74 TYR QE 3.64
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1172,1177,
&end
#
# 72 LYS HB3 72 LYS HD2 3.94
&rst
ixpk= 0, nxpk= 0, iat=1123,1128, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 72 LYS HB3 72 LYS HD3 3.94
&rst
ixpk= 0, nxpk= 0, iat=1123,1129, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 72 LYS HB3 72 LYS QD 3.42
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1128,1129,
&end
#
# 72 LYS HB3 72 LYS QE 5.15
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1131,1132,
&end
#
# 72 LYS HB3 73 LYS HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=1123,1140, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 72 LYS HB3 74 TYR QD 4.67
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1170,1179,
&end
#
# 72 LYS HB3 74 TYR QE 3.65
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1172,1177,
&end
#
# 72 LYS HD2 74 TYR QE 4.62
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1172,1177,
&end
#
# 72 LYS HD3 74 TYR QE 4.62
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1172,1177,
&end
#
# 72 LYS HG2 72 LYS QE 4.04
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1131,1132,
&end
#
# 72 LYS HG2 74 TYR QE 4.91
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1172,1177,
&end
#
# 72 LYS HG3 72 LYS QE 4.04
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1131,1132,
&end
#
# 72 LYS HG3 74 TYR QE 4.91
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1172,1177,
&end
#
# 72 LYS HN 72 LYS HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1118,1122, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 72 LYS HN 72 LYS HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1118,1123, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 72 LYS HN 72 LYS HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1118,1125, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 72 LYS HN 72 LYS HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1118,1126, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 72 LYS HN 72 LYS QD 4.72
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1128,1129,
&end
#
# 72 LYS HN 72 LYS QG 4.07
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1125,1126,
&end
#
# 72 LYS HN 74 TYR QD 5.19
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1170,1179,
&end
#
# 72 LYS HN 74 TYR QE 4.92
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1172,1177,
&end
#
# 72 LYS QD 83 HIS HE1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1128,1129,
&end
#
# 72 LYS QD 87 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1128,1129,
igr2=1394,1395,1396,
&end
#
# 72 LYS QE 74 TYR QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1131,1132,
igr2=1172,1177,
&end
#
# 72 LYS QG 72 LYS QE 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1125,1126,
igr2=1131,1132,
&end
#
# 72 LYS QG 73 LYS HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1125,1126,
&end
#
# 72 LYS QG 74 TYR QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1125,1126,
igr2=1172,1177,
&end
#
# 73 LYS HA 73 LYS HG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1142,1147, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 73 LYS HA 73 LYS HG3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1142,1148, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 73 LYS HA 73 LYS QD 4.38
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1150,1151,
&end
#
# 73 LYS HA 74 TYR HN 3.00
&rst
ixpk= 0, nxpk= 0, iat=1142,1162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 LYS HA 74 TYR QD 4.17
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1170,1179,
&end
#
# 73 LYS HA 80 LEU QQD 4.93
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 73 LYS HB2 73 LYS QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1153,1154,
&end
#
# 73 LYS HB2 74 TYR HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1144,1162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 73 LYS HB3 73 LYS QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1153,1154,
&end
#
# 73 LYS HB3 74 TYR HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1145,1162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 73 LYS HG2 73 LYS QE 3.86
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1153,1154,
&end
#
# 73 LYS HG2 74 TYR HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1147,1162, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 73 LYS HG3 73 LYS QE 3.86
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1153,1154,
&end
#
# 73 LYS HG3 74 TYR HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1148,1162, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 73 LYS HN 73 LYS HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat=1140,1144, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 73 LYS HN 73 LYS HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat=1140,1145, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 73 LYS HN 73 LYS HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat=1140,1147, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 73 LYS HN 73 LYS HG3 4.69
&rst
ixpk= 0, nxpk= 0, iat=1140,1148, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 73 LYS HN 73 LYS QD 4.64
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1150,1151,
&end
#
# 73 LYS HN 73 LYS QG 4.11
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1147,1148,
&end
#
# 73 LYS HN 74 TYR QD 5.18
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1170,1179,
&end
#
# 73 LYS HN 74 TYR QE 5.25
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1172,1177,
&end
#
# 73 LYS QB 73 LYS QE 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1144,1145,
igr2=1153,1154,
&end
#
# 73 LYS QB 74 TYR HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1144,1145,
&end
#
# 73 LYS QB 74 TYR QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1144,1145,
igr2=1170,1179,
&end
#
# 73 LYS QE 74 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1153,1154,
&end
#
# 73 LYS QG 74 TYR HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1147,1148,
&end
#
# 74 TYR HA 74 TYR QD 3.55
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1170,1179,
&end
#
# 74 TYR HA 74 TYR QE 4.63
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1172,1177,
&end
#
# 74 TYR HB2 80 LEU HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1166,1260, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 74 TYR HB2 80 LEU HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1166,1262, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 74 TYR HB2 80 LEU HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat=1166,1263, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 74 TYR HB2 80 LEU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=1166,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 74 TYR HB2 80 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1267,1268,1269,
&end
#
# 74 TYR HB2 80 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1271,1272,1273,
&end
#
# 74 TYR HB3 80 LEU HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1167,1260, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 74 TYR HB3 80 LEU HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1167,1262, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 74 TYR HB3 80 LEU HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat=1167,1263, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 74 TYR HB3 80 LEU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=1167,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 74 TYR HB3 80 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1267,1268,1269,
&end
#
# 74 TYR HB3 80 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1271,1272,1273,
&end
#
# 74 TYR HN 74 TYR HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1162,1166, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 74 TYR HN 74 TYR HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1162,1167, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 74 TYR HN 74 TYR QD 3.58
&rst
ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1170,1179,
&end
#
# 74 TYR HN 74 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1172,1177,
&end
#
# 74 TYR HN 80 LEU QQD 5.04
&rst
ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 74 TYR QB 77 VAL HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1166,1167,
&end
#
# 74 TYR QB 79 ASN QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1166,1167,
igr2=1248,1249,
&end
#
# 74 TYR QB 80 LEU HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1166,1167,
&end
#
# 74 TYR QB 80 LEU HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1166,1167,
&end
#
# 74 TYR QB 80 LEU HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1166,1167,
&end
#
# 74 TYR QB 80 LEU QQD 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1166,1167,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 74 TYR QD 79 ASN HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1170,1179,
&end
#
# 74 TYR QD 79 ASN HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1170,1179,
&end
#
# 74 TYR QD 79 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1170,1179,
&end
#
# 74 TYR QD 80 LEU HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1170,1179,
&end
#
# 74 TYR QD 80 LEU HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1170,1179,
&end
#
# 74 TYR QD 80 LEU HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1170,1179,
&end
#
# 74 TYR QD 80 LEU HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1170,1179,
&end
#
# 74 TYR QD 80 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1170,1179,
igr2=1267,1268,1269,
&end
#
# 74 TYR QD 80 LEU QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1170,1179,
igr2=1271,1272,1273,
&end
#
# 74 TYR QD 80 LEU QQD 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1170,1179,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 74 TYR QE 79 ASN HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1172,1177,
&end
#
# 74 TYR QE 79 ASN HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1172,1177,
&end
#
# 74 TYR QE 79 ASN QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1172,1177,
igr2=1248,1249,
&end
#
# 74 TYR QE 80 LEU HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1172,1177,
&end
#
# 74 TYR QE 80 LEU QQD 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1172,1177,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 74 TYR QE 83 HIS HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1172,1177,
&end
#
# 74 TYR QE 83 HIS HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1172,1177,
&end
#
# 74 TYR QE 83 HIS HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1172,1177,
&end
#
# 74 TYR QE 83 HIS HD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1172,1177,
&end
#
# 74 TYR QE 83 HIS HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1172,1177,
&end
#
# 76 ASP HA 77 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1196,1208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ASP HA 77 VAL HB 4.76
&rst
ixpk= 0, nxpk= 0, iat=1196,1210, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 76 ASP HA 77 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1212,1213,1214,
&end
#
# 76 ASP HA 78 LYS HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1196,1222, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 76 ASP HB2 78 LYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat=1198,1222, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 76 ASP HB2 79 ASN HD21 4.94
&rst
ixpk= 0, nxpk= 0, iat=1198,1253, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 76 ASP HB2 79 ASN HD22 4.94
&rst
ixpk= 0, nxpk= 0, iat=1198,1254, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 76 ASP HB2 79 ASN HN 4.03
&rst
ixpk= 0, nxpk= 0, iat=1198,1244, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 76 ASP HB3 78 LYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat=1199,1222, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 76 ASP HB3 79 ASN HD21 4.94
&rst
ixpk= 0, nxpk= 0, iat=1199,1253, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 76 ASP HB3 79 ASN HD22 4.94
&rst
ixpk= 0, nxpk= 0, iat=1199,1254, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 76 ASP HB3 79 ASN HN 4.03
&rst
ixpk= 0, nxpk= 0, iat=1199,1244, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 76 ASP HN 76 ASP QB 3.36
&rst
ixpk= 0, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1198,1199,
&end
#
# 76 ASP QB 78 LYS HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1198,1199,
&end
#
# 77 VAL HA 77 VAL QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1216,1217,1218,
&end
#
# 77 VAL HA 79 ASN HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=1208,1244, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 77 VAL HA 80 LEU HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=1208,1260, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 77 VAL HA 80 LEU HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1208,1262, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 77 VAL HA 80 LEU HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat=1208,1263, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 77 VAL HA 80 LEU HG 5.13
&rst
ixpk= 0, nxpk= 0, iat=1208,1265, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 77 VAL HA 80 LEU HN 3.83
&rst
ixpk= 0, nxpk= 0, iat=1208,1258, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 77 VAL HA 80 LEU QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1267,1268,1269,
&end
#
# 77 VAL HA 80 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1271,1272,1273,
&end
#
# 77 VAL HA 80 LEU QQD 3.83
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 77 VAL HA 81 ILE HN 4.38
&rst
ixpk= 0, nxpk= 0, iat=1208,1277, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 77 VAL HA 81 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1290,1291,1292,
&end
#
# 77 VAL HB 78 LYS HN 4.01
&rst
ixpk= 0, nxpk= 0, iat=1210,1222, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 77 VAL HN 77 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1212,1213,1214,
&end
#
# 77 VAL HN 77 VAL QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1216,1217,1218,
&end
#
# 77 VAL HN 78 LYS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat=1206,1222, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 77 VAL QG1 78 LYS HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1212,1213,1214,
&end
#
# 77 VAL QG1 78 LYS HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1212,1213,1214,
&end
#
# 77 VAL QG1 78 LYS QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1212,1213,1214,
igr2=1226,1227,
&end
#
# 77 VAL QG1 78 LYS QG 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1212,1213,1214,
igr2=1229,1230,
&end
#
# 77 VAL QG1 79 ASN HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1212,1213,1214,
&end
#
# 77 VAL QG1 81 ILE HG12 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1212,1213,1214,
&end
#
# 77 VAL QG1 81 ILE HG13 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1212,1213,1214,
&end
#
# 77 VAL QG2 78 LYS HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1216,1217,1218,
&end
#
# 77 VAL QG2 78 LYS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1216,1217,1218,
&end
#
# 77 VAL QG2 81 ILE HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1216,1217,1218,
&end
#
# 77 VAL QG2 81 ILE HG12 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1216,1217,1218,
&end
#
# 77 VAL QG2 81 ILE HG13 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1216,1217,1218,
&end
#
# 77 VAL QG2 81 ILE HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1216,1217,1218,
&end
#
# 77 VAL QG2 81 ILE QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1216,1217,1218,
igr2=1290,1291,1292,
&end
#
# 78 LYS HA 78 LYS HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1224,1229, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 78 LYS HA 78 LYS HG3 4.09
&rst
ixpk= 0, nxpk= 0, iat=1224,1230, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 78 LYS HA 78 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1235,1236,
&end
#
# 78 LYS HA 79 ASN HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1224,1246, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 78 LYS HA 81 ILE HB 3.72
&rst
ixpk= 0, nxpk= 0, iat=1224,1281, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 LYS HA 81 ILE HG12 3.80
&rst
ixpk= 0, nxpk= 0, iat=1224,1287, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 LYS HA 81 ILE HG13 4.47
&rst
ixpk= 0, nxpk= 0, iat=1224,1288, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 78 LYS HA 81 ILE HN 3.91
&rst
ixpk= 0, nxpk= 0, iat=1224,1277, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 78 LYS HA 81 ILE QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1290,1291,1292,
&end
#
# 78 LYS HB2 79 ASN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1226,1244, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 78 LYS HB3 79 ASN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 78 LYS HG2 78 LYS QE 4.05
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1235,1236,
&end
#
# 78 LYS HG3 78 LYS QE 4.05
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1235,1236,
&end
#
# 78 LYS HN 78 LYS HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1222,1226, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 78 LYS HN 78 LYS HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 78 LYS HN 78 LYS HG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1222,1229, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 78 LYS HN 78 LYS HG3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1222,1230, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 78 LYS HN 78 LYS QB 2.96
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=1226,1227,
&end
#
# 78 LYS HN 78 LYS QG 3.42
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1229,1230,
&end
#
# 78 LYS HN 79 ASN HN 3.31
&rst
ixpk= 0, nxpk= 0, iat=1222,1244, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 78 LYS HN 79 ASN QB 5.31
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1248,1249,
&end
#
# 78 LYS HN 80 LEU HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=1222,1258, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 78 LYS QB 78 LYS QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1226,1227,
igr2=1235,1236,
&end
#
# 78 LYS QB 79 ASN HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1226,1227,
&end
#
# 78 LYS QB 79 ASN QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1226,1227,
igr2=1248,1249,
&end
#
# 78 LYS QG 78 LYS QE 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1229,1230,
igr2=1235,1236,
&end
#
# 79 ASN HA 80 LEU HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=1246,1260, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 79 ASN HA 81 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1246,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ASN HA 81 ILE HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1246,1277, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 79 ASN HA 82 LYS HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=1246,1296, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 79 ASN HA 82 LYS QB 3.44
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1300,1301,
&end
#
# 79 ASN HA 82 LYS QD 4.81
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1306,1307,
&end
#
# 79 ASN HA 83 HIS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat=1246,1318, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 79 ASN HB2 80 LEU HN 4.19
&rst
ixpk= 0, nxpk= 0, iat=1248,1258, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 79 ASN HB2 82 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1300,1301,
&end
#
# 79 ASN HB3 80 LEU HN 4.19
&rst
ixpk= 0, nxpk= 0, iat=1249,1258, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 79 ASN HB3 82 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1300,1301,
&end
#
# 79 ASN HN 79 ASN HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1244,1248, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 79 ASN HN 79 ASN HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 79 ASN HN 79 ASN QB 3.12
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1248,1249,
&end
#
# 79 ASN HN 80 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1244,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 ASN HN 80 LEU HN 3.37
&rst
ixpk= 0, nxpk= 0, iat=1244,1258, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 79 ASN HN 81 ILE HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1244,1277, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 79 ASN HN 82 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1244,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ASN QB 80 LEU HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1248,1249,
&end
#
# 79 ASN QB 81 ILE HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1248,1249,
&end
#
# 79 ASN QB 82 LYS QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1248,1249,
igr2=1300,1301,
&end
#
# 80 LEU HA 80 LEU HG 3.96
&rst
ixpk= 0, nxpk= 0, iat=1260,1265, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 80 LEU HA 80 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1267,1268,1269,
&end
#
# 80 LEU HA 80 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1271,1272,1273,
&end
#
# 80 LEU HA 80 LEU QQD 3.02
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU HA 81 ILE HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 80 LEU HA 82 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1300,1301,
&end
#
# 80 LEU HA 83 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1260,1320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LEU HA 83 HIS HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1260,1322, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 80 LEU HA 83 HIS HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat=1260,1323, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 80 LEU HA 83 HIS HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=1260,1318, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 80 LEU HA 84 ILE HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1260,1335, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 80 LEU HB2 80 LEU QD1 3.47
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1267,1268,1269,
&end
#
# 80 LEU HB2 80 LEU QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1271,1272,1273,
&end
#
# 80 LEU HB2 81 ILE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat=1262,1277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 80 LEU HB3 80 LEU QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1267,1268,1269,
&end
#
# 80 LEU HB3 80 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1271,1272,1273,
&end
#
# 80 LEU HB3 80 LEU QQD 3.02
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU HB3 81 ILE HB 5.31
&rst
ixpk= 0, nxpk= 0, iat=1263,1281, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 80 LEU HB3 81 ILE HG13 5.31
&rst
ixpk= 0, nxpk= 0, iat=1263,1288, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 80 LEU HB3 81 ILE HN 3.47
&rst
ixpk= 0, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 80 LEU HB3 81 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1290,1291,1292,
&end
#
# 80 LEU HB3 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1283,1284,1285,
&end
#
# 80 LEU HG 81 ILE HA 3.97
&rst
ixpk= 0, nxpk= 0, iat=1265,1279, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 80 LEU HG 81 ILE HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1265,1277, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 80 LEU HG 83 HIS HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1265,1323, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 80 LEU HG 83 HIS HD2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1265,1331, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 80 LEU HG 84 ILE QD1 3.26
&rst
ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1348,1349,1350,
&end
#
# 80 LEU HN 80 LEU HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1258,1262, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 80 LEU HN 80 LEU HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1258,1263, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 80 LEU HN 80 LEU HG 4.71
&rst
ixpk= 0, nxpk= 0, iat=1258,1265, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 80 LEU HN 80 LEU QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1267,1268,1269,
&end
#
# 80 LEU HN 80 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1271,1272,1273,
&end
#
# 80 LEU HN 80 LEU QQD 4.26
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU HN 81 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1258,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LEU HN 81 ILE HN 3.49
&rst
ixpk= 0, nxpk= 0, iat=1258,1277, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 80 LEU QD1 81 ILE HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1267,1268,1269,
&end
#
# 80 LEU QD1 84 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1267,1268,1269,
igr2=1348,1349,1350,
&end
#
# 80 LEU QD2 81 ILE HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1271,1272,1273,
&end
#
# 80 LEU QD2 84 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1271,1272,1273,
igr2=1348,1349,1350,
&end
#
# 80 LEU QQD 81 ILE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 83 HIS HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 83 HIS HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 83 HIS HD2 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 83 HIS HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 84 ILE HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 84 ILE HG12 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 84 ILE HG13 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 84 ILE HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 80 LEU QQD 84 ILE QD1 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1267,1268,1269,1271,1272,1273,
igr2=1348,1349,1350,
&end
#
# 81 ILE HA 81 ILE HG12 3.45
&rst
ixpk= 0, nxpk= 0, iat=1279,1287, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 81 ILE HA 81 ILE HG13 3.80
&rst
ixpk= 0, nxpk= 0, iat=1279,1288, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 81 ILE HA 81 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1290,1291,1292,
&end
#
# 81 ILE HA 81 ILE QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1283,1284,1285,
&end
#
# 81 ILE HA 83 HIS HN 4.76
&rst
ixpk= 0, nxpk= 0, iat=1279,1318, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 81 ILE HA 84 ILE HB 3.88
&rst
ixpk= 0, nxpk= 0, iat=1279,1339, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 81 ILE HA 84 ILE HG13 4.63
&rst
ixpk= 0, nxpk= 0, iat=1279,1346, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 81 ILE HA 84 ILE HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=1279,1335, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 81 ILE HA 84 ILE QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1348,1349,1350,
&end
#
# 81 ILE HA 84 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1341,1342,1343,
&end
#
# 81 ILE HA 85 ARG HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1279,1354, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 81 ILE HB 81 ILE QD1 3.23
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1290,1291,1292,
&end
#
# 81 ILE HB 82 LYS HN 2.91
&rst
ixpk= 0, nxpk= 0, iat=1281,1296, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 81 ILE HG12 82 LYS HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=1287,1296, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 81 ILE HG13 82 LYS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=1288,1296, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 81 ILE HN 81 ILE HB 3.02
&rst
ixpk= 0, nxpk= 0, iat=1277,1281, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 81 ILE HN 81 ILE HG12 3.27
&rst
ixpk= 0, nxpk= 0, iat=1277,1287, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 81 ILE HN 81 ILE HG13 3.57
&rst
ixpk= 0, nxpk= 0, iat=1277,1288, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 81 ILE HN 81 ILE QD1 3.79
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1290,1291,1292,
&end
#
# 81 ILE HN 81 ILE QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1283,1284,1285,
&end
#
# 81 ILE HN 82 LYS HN 3.40
&rst
ixpk= 0, nxpk= 0, iat=1277,1296, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 81 ILE HN 83 HIS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1277,1318, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 81 ILE HN 84 ILE HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=1277,1335, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 81 ILE HN 84 ILE QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1348,1349,1350,
&end
#
# 81 ILE QD1 82 LYS HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1290,1291,1292,
&end
#
# 81 ILE QD1 84 ILE HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1290,1291,1292,
&end
#
# 81 ILE QG2 81 ILE HG12 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1283,1284,1285,
&end
#
# 81 ILE QG2 81 ILE HG13 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1283,1284,1285,
&end
#
# 81 ILE QG2 82 LYS HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1283,1284,1285,
&end
#
# 81 ILE QG2 82 LYS HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1283,1284,1285,
&end
#
# 81 ILE QG2 82 LYS QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1283,1284,1285,
igr2=1300,1301,
&end
#
# 81 ILE QG2 83 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1283,1284,1285,
&end
#
# 81 ILE QG2 84 ILE HB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1283,1284,1285,
&end
#
# 81 ILE QG2 85 ARG HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1283,1284,1285,
&end
#
# 81 ILE QG2 85 ARG HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1283,1284,1285,
&end
#
# 81 ILE QG2 85 ARG QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1283,1284,1285,
igr2=1358,1359,
&end
#
# 81 ILE QG2 85 ARG QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1283,1284,1285,
igr2=1364,1365,
&end
#
# 82 LYS HA 82 LYS HG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1298,1303, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 82 LYS HA 82 LYS HG3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1298,1304, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 82 LYS HA 82 LYS QB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1300,1301,
&end
#
# 82 LYS HA 82 LYS QD 4.55
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1306,1307,
&end
#
# 82 LYS HA 82 LYS QE 4.74
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1309,1310,
&end
#
# 82 LYS HA 82 LYS QG 3.51
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1303,1304,
&end
#
# 82 LYS HA 84 ILE HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1298,1335, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 82 LYS HA 85 ARG HG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1298,1361, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 82 LYS HA 85 ARG HG3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1298,1362, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 82 LYS HA 85 ARG HN 4.01
&rst
ixpk= 0, nxpk= 0, iat=1298,1354, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 82 LYS HA 85 ARG QB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1358,1359,
&end
#
# 82 LYS HA 85 ARG QD 4.43
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1364,1365,
&end
#
# 82 LYS HA 86 ASP HN 4.66
&rst
ixpk= 0, nxpk= 0, iat=1298,1378, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 82 LYS HN 82 LYS HG2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1296,1303, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 82 LYS HN 82 LYS HG3 4.60
&rst
ixpk= 0, nxpk= 0, iat=1296,1304, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 82 LYS HN 82 LYS QB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1300,1301,
&end
#
# 82 LYS HN 82 LYS QD 4.89
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1306,1307,
&end
#
# 82 LYS HN 82 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1309,1310,
&end
#
# 82 LYS HN 82 LYS QG 4.01
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1303,1304,
&end
#
# 82 LYS HN 83 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1296,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 LYS HN 83 HIS HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat=1296,1323, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 82 LYS HN 83 HIS HN 3.34
&rst
ixpk= 0, nxpk= 0, iat=1296,1318, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 82 LYS HN 84 ILE HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1296,1335, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 82 LYS QB 82 LYS QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1300,1301,
igr2=1306,1307,
&end
#
# 82 LYS QB 82 LYS QE 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1300,1301,
igr2=1309,1310,
&end
#
# 82 LYS QB 83 HIS HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1300,1301,
&end
#
# 82 LYS QB 83 HIS HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1300,1301,
&end
#
# 82 LYS QB 83 HIS HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1300,1301,
&end
#
# 82 LYS QG 83 HIS HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1303,1304,
&end
#
# 82 LYS QG 83 HIS HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1303,1304,
&end
#
# 83 HIS HA 85 ARG HN 5.25
&rst
ixpk= 0, nxpk= 0, iat=1320,1354, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 83 HIS HA 86 ASP HN 4.20
&rst
ixpk= 0, nxpk= 0, iat=1320,1378, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 83 HIS HA 86 ASP QB 3.18
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1382,1383,
&end
#
# 83 HIS HA 87 ALA HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=1320,1390, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 83 HIS HA 87 ALA QB 4.25
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1394,1395,1396,
&end
#
# 83 HIS HA 88 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 HIS HB2 84 ILE HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1322,1335, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 83 HIS HB2 87 ALA QB 5.19
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1394,1395,1396,
&end
#
# 83 HIS HB3 84 ILE HG13 4.91
&rst
ixpk= 0, nxpk= 0, iat=1323,1346, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 83 HIS HB3 84 ILE HN 4.02
&rst
ixpk= 0, nxpk= 0, iat=1323,1335, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 83 HIS HD2 84 ILE HA 3.88
&rst
ixpk= 0, nxpk= 0, iat=1331,1337, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 83 HIS HD2 84 ILE HB 4.71
&rst
ixpk= 0, nxpk= 0, iat=1331,1339, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 83 HIS HD2 84 ILE HG12 4.53
&rst
ixpk= 0, nxpk= 0, iat=1331,1345, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 83 HIS HD2 84 ILE HG13 3.77
&rst
ixpk= 0, nxpk= 0, iat=1331,1346, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 83 HIS HD2 84 ILE HN 4.02
&rst
ixpk= 0, nxpk= 0, iat=1331,1335, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 83 HIS HD2 84 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1348,1349,1350,
&end
#
# 83 HIS HD2 84 ILE QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1341,1342,1343,
&end
#
# 83 HIS HD2 87 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1394,1395,1396,
&end
#
# 83 HIS HD2 88 HIS HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1331,1413, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 83 HIS HE1 87 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1394,1395,1396,
&end
#
# 83 HIS HN 83 HIS HB2 3.18
&rst
ixpk= 0, nxpk= 0, iat=1318,1322, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 83 HIS HN 83 HIS HB3 3.10
&rst
ixpk= 0, nxpk= 0, iat=1318,1323, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 83 HIS HN 83 HIS HD2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1318,1331, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 83 HIS HN 84 ILE HN 3.54
&rst
ixpk= 0, nxpk= 0, iat=1318,1335, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 84 ILE HA 84 ILE HG12 3.42
&rst
ixpk= 0, nxpk= 0, iat=1337,1345, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 84 ILE HA 84 ILE HG13 3.42
&rst
ixpk= 0, nxpk= 0, iat=1337,1346, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 84 ILE HA 84 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1348,1349,1350,
&end
#
# 84 ILE HA 84 ILE QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1341,1342,1343,
&end
#
# 84 ILE HA 87 ALA HN 4.31
&rst
ixpk= 0, nxpk= 0, iat=1337,1390, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 84 ILE HA 87 ALA QB 4.19
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1394,1395,1396,
&end
#
# 84 ILE HA 88 HIS HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1337,1404, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 84 ILE HA 88 HIS HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat=1337,1405, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 84 ILE HA 88 HIS HD2 3.02
&rst
ixpk= 0, nxpk= 0, iat=1337,1413, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 84 ILE HA 88 HIS HN 3.80
&rst
ixpk= 0, nxpk= 0, iat=1337,1400, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 84 ILE HB 84 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1348,1349,1350,
&end
#
# 84 ILE HB 85 ARG HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1339,1356, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 84 ILE HB 85 ARG HN 3.70
&rst
ixpk= 0, nxpk= 0, iat=1339,1354, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 84 ILE HB 88 HIS HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1339,1413, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 84 ILE HG12 88 HIS HD2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1345,1413, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 84 ILE HG13 85 ARG HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1346,1354, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 84 ILE HG13 88 HIS HD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1346,1413, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 84 ILE HN 84 ILE HB 3.16
&rst
ixpk= 0, nxpk= 0, iat=1335,1339, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 84 ILE HN 84 ILE HG12 3.99
&rst
ixpk= 0, nxpk= 0, iat=1335,1345, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 84 ILE HN 84 ILE HG13 3.30
&rst
ixpk= 0, nxpk= 0, iat=1335,1346, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 ILE HN 84 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1348,1349,1350,
&end
#
# 84 ILE HN 84 ILE QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1341,1342,1343,
&end
#
# 84 ILE HN 85 ARG HN 3.43
&rst
ixpk= 0, nxpk= 0, iat=1335,1354, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 84 ILE HN 86 ASP HN 4.61
&rst
ixpk= 0, nxpk= 0, iat=1335,1378, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 84 ILE HN 88 HIS HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1335,1413, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 84 ILE QD1 85 ARG HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1348,1349,1350,
&end
#
# 84 ILE QD1 88 HIS HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1348,1349,1350,
&end
#
# 84 ILE QD1 88 HIS HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1348,1349,1350,
&end
#
# 84 ILE QG2 84 ILE HG12 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 84 ILE HG13 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 84 ILE QD1 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1341,1342,1343,
igr2=1348,1349,1350,
&end
#
# 84 ILE QG2 85 ARG HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 85 ARG HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 85 ARG QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1341,1342,1343,
igr2=1358,1359,
&end
#
# 84 ILE QG2 85 ARG QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1341,1342,1343,
igr2=1364,1365,
&end
#
# 84 ILE QG2 86 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 88 HIS HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 88 HIS HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 88 HIS HD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 88 HIS HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 89 ASP HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 89 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1341,1342,1343,
igr2=1421,1422,
&end
#
# 84 ILE QG2 90 PRO HD2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1341,1342,1343,
&end
#
# 84 ILE QG2 90 PRO HD3 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1341,1342,1343,
&end
#
# 85 ARG HA 85 ARG HG2 3.26
&rst
ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 85 ARG HA 85 ARG HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat=1356,1362, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 85 ARG HA 85 ARG QD 4.72
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1364,1365,
&end
#
# 85 ARG HA 88 HIS HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=1356,1400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 85 ARG HA 89 ASP HB2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1356,1421, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 85 ARG HA 89 ASP HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat=1356,1422, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 85 ARG HA 89 ASP HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1356,1417, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 85 ARG HA 89 ASP QB 3.64
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1421,1422,
&end
#
# 85 ARG HA 90 PRO HD2 4.36
&rst
ixpk= 0, nxpk= 0, iat=1356,1430, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 85 ARG HA 90 PRO HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat=1356,1431, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 85 ARG HG2 86 ASP HN 5.16
&rst
ixpk= 0, nxpk= 0, iat=1361,1378, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 85 ARG HG3 86 ASP HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1362,1378, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 85 ARG HN 85 ARG HG2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1354,1361, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 85 ARG HN 85 ARG HG3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1354,1362, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 85 ARG HN 85 ARG QB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1358,1359,
&end
#
# 85 ARG HN 85 ARG QD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1364,1365,
&end
#
# 85 ARG HN 86 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1354,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ARG HN 86 ASP HN 3.33
&rst
ixpk= 0, nxpk= 0, iat=1354,1378, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 85 ARG HN 86 ASP QB 5.14
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1382,1383,
&end
#
# 85 ARG HN 87 ALA HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=1354,1390, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 85 ARG HN 88 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1354,1404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ARG QB 85 ARG HG2 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr1=1358,1359,
&end
#
# 85 ARG QB 85 ARG QD 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1358,1359,
igr2=1364,1365,
&end
#
# 85 ARG QB 86 ASP HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1358,1359,
&end
#
# 85 ARG QB 86 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1358,1359,
&end
#
# 85 ARG QB 86 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1358,1359,
&end
#
# 85 ARG QB 86 ASP HN 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1358,1359,
&end
#
# 85 ARG QB 86 ASP QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1358,1359,
igr2=1382,1383,
&end
#
# 85 ARG QB 90 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1358,1359,
&end
#
# 85 ARG QD 86 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1364,1365,
&end
#
# 86 ASP HA 87 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1394,1395,1396,
&end
#
# 86 ASP HA 88 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1380,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ASP HB2 87 ALA HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=1382,1392, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 86 ASP HB2 87 ALA HN 3.71
&rst
ixpk= 0, nxpk= 0, iat=1382,1390, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 86 ASP HB2 87 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1394,1395,1396,
&end
#
# 86 ASP HB3 87 ALA HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=1383,1392, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 86 ASP HB3 87 ALA HN 3.71
&rst
ixpk= 0, nxpk= 0, iat=1383,1390, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 86 ASP HB3 87 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1394,1395,1396,
&end
#
# 86 ASP HN 86 ASP HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1378,1382, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 86 ASP HN 86 ASP HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat=1378,1383, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 86 ASP HN 86 ASP QB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1382,1383,
&end
#
# 86 ASP HN 87 ALA HN 3.27
&rst
ixpk= 0, nxpk= 0, iat=1378,1390, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 86 ASP HN 87 ALA QB 4.41
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1394,1395,1396,
&end
#
# 86 ASP HN 88 HIS HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1378,1400, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 86 ASP HN 89 ASP HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=1378,1417, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 86 ASP QB 87 ALA HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1382,1383,
&end
#
# 86 ASP QB 87 ALA HN 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1382,1383,
&end
#
# 86 ASP QB 87 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1382,1383,
igr2=1394,1395,1396,
&end
#
# 87 ALA HN 87 ALA QB 2.97
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1394,1395,1396,
&end
#
# 87 ALA HN 88 HIS HN 3.05
&rst
ixpk= 0, nxpk= 0, iat=1390,1400, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 87 ALA HN 89 ASP HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1390,1417, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 87 ALA QB 88 HIS HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1394,1395,1396,
&end
#
# 87 ALA QB 88 HIS HD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1394,1395,1396,
&end
#
# 87 ALA QB 88 HIS HE1 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1410, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1394,1395,1396,
&end
#
# 87 ALA QB 88 HIS HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1394,1395,1396,
&end
#
# 88 HIS HA 89 ASP HN 3.00
&rst
ixpk= 0, nxpk= 0, iat=1402,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 HIS HB2 88 HIS HD2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1404,1413, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 88 HIS HB2 89 ASP HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1404,1417, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 88 HIS HB3 89 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1405,1417, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 HIS HN 88 HIS HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 88 HIS HN 88 HIS HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1400,1405, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 88 HIS HN 88 HIS HD2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1400,1413, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 88 HIS HN 89 ASP HN 3.49
&rst
ixpk= 0, nxpk= 0, iat=1400,1417, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 89 ASP HB2 90 PRO HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1421,1430, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 89 ASP HB2 90 PRO HD3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1421,1431, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 89 ASP HB3 90 PRO HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1422,1430, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 89 ASP HB3 90 PRO HD3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1422,1431, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 89 ASP HN 89 ASP HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1417,1421, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 89 ASP HN 89 ASP HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1417,1422, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 89 ASP HN 90 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1417,1430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 ASP HN 90 PRO HD3 4.77
&rst
ixpk= 0, nxpk= 0, iat=1417,1431, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 89 ASP QB 90 PRO HD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1421,1422,
&end
#
# 89 ASP QB 90 PRO HD3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1421,1422,
&end
#
# 90 PRO HA 91 GLN HN 3.13
&rst
ixpk= 0, nxpk= 0, iat=1439,1443, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 90 PRO QB 91 GLN HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1436,1437,
&end
#
# 90 PRO QB 92 ASP HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1436,1437,
&end
#
# 91 GLN HA 91 GLN QG 3.69
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1450,1451,
&end
#
# 91 GLN HA 92 ASP HN 3.35
&rst
ixpk= 0, nxpk= 0, iat=1445,1460, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 91 GLN HB2 92 ASP HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=1447,1460, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 91 GLN HB3 92 ASP HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=1448,1460, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 91 GLN HN 91 GLN QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1447,1448,
&end
#
# 91 GLN HN 91 GLN QG 3.95
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1450,1451,
&end
#
# 91 GLN HN 92 ASP HN 4.27
&rst
ixpk= 0, nxpk= 0, iat=1443,1460, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 91 GLN QB 92 ASP HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1447,1448,
&end
#
# 92 ASP HN 92 ASP HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1460,1464, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 92 ASP HN 92 ASP HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat=1460,1465, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 92 ASP HN 92 ASP QB 3.45
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1464,1465,
&end
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