NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588768 |
2rv2   |
11482 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 7 GLY QA 8 LYS HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr1= 64, 65,
&end
#
# 7 GLY QA 8 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 64, 65,
&end
#
# 7 GLY QA 8 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 64, 65,
&end
#
# 7 GLY QA 8 LYS QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 64, 65,
igr2= 73, 74,
&end
#
# 7 GLY QA 8 LYS QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 64, 65,
igr2= 79, 80,
&end
#
# 7 GLY QA 8 LYS QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 64, 65,
igr2= 82, 83,
&end
#
# 7 GLY QA 8 LYS QG 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 64, 65,
igr2= 76, 77,
&end
#
# 8 LYS HA 18 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 237, 238, 239,
&end
#
# 8 LYS HA 20 ARG HG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 71, 264, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 8 LYS HA 20 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 71, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LYS HA 8 LYS HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 8 LYS HA 8 LYS HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 71, 77, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 8 LYS HA 8 LYS QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 79, 80,
&end
#
# 8 LYS HA 8 LYS QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 82, 83,
&end
#
# 8 LYS HA 8 LYS QG 3.48
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 76, 77,
&end
#
# 8 LYS HA 9 PRO HD2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 71, 92, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 8 LYS HA 9 PRO HD3 3.08
&rst
ixpk= 0, nxpk= 0, iat= 71, 93, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 8 LYS HA 9 PRO HG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 71, 95, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 8 LYS HA 9 PRO HG3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 71, 96, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 8 LYS HG2 20 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 267, 268,
&end
#
# 8 LYS HG2 9 PRO HD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 76, 92, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 8 LYS HG3 20 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 267, 268,
&end
#
# 8 LYS HG3 9 PRO HD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 77, 92, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 8 LYS HN 8 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 79, 80,
&end
#
# 8 LYS HN 8 LYS QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 82, 83,
&end
#
# 8 LYS QB 10 PHE HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 73, 74,
&end
#
# 8 LYS QB 18 ALA QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 73, 74,
igr2= 237, 238, 239,
&end
#
# 8 LYS QB 19 THR HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 73, 74,
&end
#
# 8 LYS QB 8 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= 73, 74,
igr2= 82, 83,
&end
#
# 8 LYS QB 9 PRO HD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 73, 74,
&end
#
# 8 LYS QB 9 PRO HD3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 73, 74,
&end
#
# 8 LYS QE 18 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 82, 83,
igr2= 237, 238, 239,
&end
#
# 8 LYS QG 20 ARG HG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 76, 77,
&end
#
# 8 LYS QG 20 ARG QD 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 76, 77,
igr2= 267, 268,
&end
#
# 8 LYS QG 8 LYS QE 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 76, 77,
igr2= 82, 83,
&end
#
# 8 LYS QG 9 PRO HD2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 76, 77,
&end
#
# 8 LYS QG 9 PRO HD3 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 76, 77,
&end
#
# 9 PRO HA 10 PHE QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 113, 121,
&end
#
# 9 PRO HA 10 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 115, 119,
&end
#
# 9 PRO HA 20 ARG QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 267, 268,
&end
#
# 9 PRO HB2 10 PHE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 98, 105, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 9 PRO HB3 10 PHE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 99, 105, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 9 PRO HD2 10 PHE HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 92, 105, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 9 PRO HD2 10 PHE QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 113, 121,
&end
#
# 9 PRO HD2 10 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 115, 119,
&end
#
# 9 PRO HD2 18 ALA QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 237, 238, 239,
&end
#
# 9 PRO HD2 20 ARG HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= 92, 259, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 9 PRO HD2 20 ARG HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 92, 264, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 9 PRO HD2 20 ARG HG3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 92, 265, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 9 PRO HD2 20 ARG QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 261, 262,
&end
#
# 9 PRO HD2 20 ARG QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 267, 268,
&end
#
# 9 PRO HD3 10 PHE HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 93, 105, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 9 PRO HD3 20 ARG HA 4.02
&rst
ixpk= 0, nxpk= 0, iat= 93, 259, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 9 PRO HD3 20 ARG HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 93, 264, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 9 PRO HD3 20 ARG HG3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 93, 265, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 9 PRO HG2 10 PHE HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 95, 105, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 9 PRO HG2 10 PHE QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 113, 121,
&end
#
# 9 PRO HG2 10 PHE QE 4.67
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 115, 119,
&end
#
# 9 PRO HG2 18 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 9 PRO HG2 20 ARG HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 95, 259, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 9 PRO HG3 10 PHE HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 96, 105, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 9 PRO HG3 10 PHE QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 113, 121,
&end
#
# 9 PRO HG3 10 PHE QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 115, 119,
&end
#
# 9 PRO HG3 20 ARG HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 96, 259, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 9 PRO HG3 20 ARG QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 267, 268,
&end
#
# 9 PRO QB 10 PHE HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 98, 99,
&end
#
# 9 PRO QB 10 PHE QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 98, 99,
igr2= 113, 121,
&end
#
# 9 PRO QB 10 PHE QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 98, 99,
igr2= 115, 119,
&end
#
# 9 PRO QB 20 ARG HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 98, 99,
&end
#
# 9 PRO QB 20 ARG QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 98, 99,
igr2= 267, 268,
&end
#
# 10 PHE HA 10 PHE QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 113, 121,
&end
#
# 10 PHE HA 10 PHE QE 4.76
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 115, 119,
&end
#
# 10 PHE HA 11 LYS HN 2.84
&rst
ixpk= 0, nxpk= 0, iat= 107, 125, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 10 PHE HA 11 LYS QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 129, 130,
&end
#
# 10 PHE HA 12 CYM HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE HA 25 LEU QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 352, 353, 354,
&end
#
# 10 PHE HB2 11 LYS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 109, 125, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 10 PHE HB2 19 THR HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 109, 243, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 10 PHE HB2 19 THR QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 249, 250, 251,
&end
#
# 10 PHE HB2 25 LEU HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 109, 343, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 10 PHE HB2 25 LEU HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 109, 344, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 10 PHE HB2 25 LEU HG 5.24
&rst
ixpk= 0, nxpk= 0, iat= 109, 346, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 10 PHE HB2 25 LEU HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 109, 339, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 10 PHE HB2 25 LEU QD2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 352, 353, 354,
&end
#
# 10 PHE HB3 11 LYS HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 110, 125, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 10 PHE HB3 19 THR HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 110, 243, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 10 PHE HB3 19 THR QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 249, 250, 251,
&end
#
# 10 PHE HB3 25 LEU HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 110, 343, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 10 PHE HB3 25 LEU HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 110, 344, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 10 PHE HB3 25 LEU HG 4.68
&rst
ixpk= 0, nxpk= 0, iat= 110, 346, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 10 PHE HB3 25 LEU QD2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 352, 353, 354,
&end
#
# 10 PHE HN 10 PHE HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 10 PHE HN 10 PHE HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 PHE HN 10 PHE QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 113, 121,
&end
#
# 10 PHE HN 10 PHE QE 4.64
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 115, 119,
&end
#
# 10 PHE HN 11 LYS HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 105, 125, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 10 PHE HN 18 ALA HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 105, 235, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 10 PHE HN 18 ALA QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 237, 238, 239,
&end
#
# 10 PHE HN 19 THR HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= 105, 243, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 10 PHE HN 19 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 249, 250, 251,
&end
#
# 10 PHE HN 20 ARG HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 105, 259, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 10 PHE HN 25 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 352, 353, 354,
&end
#
# 10 PHE HZ 22 LYS HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 117, 296, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 10 PHE HZ 22 LYS HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 117, 297, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 10 PHE HZ 22 LYS QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 296, 297,
&end
#
# 10 PHE HZ 22 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 302, 303,
&end
#
# 10 PHE HZ 22 LYS QE 4.26
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 305, 306,
&end
#
# 10 PHE HZ 22 LYS QG 4.52
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 299, 300,
&end
#
# 10 PHE QD 10 PHE HZ 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 113, 121,
&end
#
# 10 PHE QD 11 LYS HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 113, 121,
&end
#
# 10 PHE QD 19 THR QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 113, 121,
igr2= 249, 250, 251,
&end
#
# 10 PHE QD 20 ARG HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 113, 121,
&end
#
# 10 PHE QD 22 LYS HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 113, 121,
&end
#
# 10 PHE QD 22 LYS QE 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 113, 121,
igr2= 305, 306,
&end
#
# 10 PHE QD 22 LYS QG 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 113, 121,
igr2= 299, 300,
&end
#
# 10 PHE QD 25 LEU QD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 113, 121,
igr2= 352, 353, 354,
&end
#
# 10 PHE QE 19 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 115, 119,
igr2= 249, 250, 251,
&end
#
# 10 PHE QE 20 ARG HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 115, 119,
&end
#
# 10 PHE QE 22 LYS HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 115, 119,
&end
#
# 10 PHE QE 22 LYS HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 115, 119,
&end
#
# 10 PHE QE 22 LYS HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 115, 119,
&end
#
# 10 PHE QE 22 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 115, 119,
&end
#
# 10 PHE QE 22 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 115, 119,
&end
#
# 10 PHE QE 22 LYS QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 115, 119,
igr2= 302, 303,
&end
#
# 10 PHE QE 22 LYS QE 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 115, 119,
igr2= 305, 306,
&end
#
# 10 PHE 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, 119,
igr2= 299, 300,
&end
#
# 10 PHE QE 25 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 115, 119,
igr2= 352, 353, 354,
&end
#
# 11 LYS HB2 11 LYS QE 4.66
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 138, 139,
&end
#
# 11 LYS HB2 12 CYM HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 129, 147, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 11 LYS HB2 18 ALA QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 237, 238, 239,
&end
#
# 11 LYS HB2 25 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 352, 353, 354,
&end
#
# 11 LYS HB3 11 LYS QE 4.66
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 138, 139,
&end
#
# 11 LYS HB3 12 CYM HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 130, 147, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 11 LYS HB3 18 ALA QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 237, 238, 239,
&end
#
# 11 LYS HB3 25 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 352, 353, 354,
&end
#
# 11 LYS HG2 16 GLU HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 132, 199, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 11 LYS HG3 16 GLU HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 133, 199, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 11 LYS HN 11 LYS HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 125, 129, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 11 LYS HN 11 LYS HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 125, 130, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 11 LYS HN 11 LYS HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 125, 132, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 11 LYS HN 11 LYS HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 125, 133, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 11 LYS HN 11 LYS QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 129, 130,
&end
#
# 11 LYS HN 12 CYM HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 125, 147, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 11 LYS HN 18 ALA QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 237, 238, 239,
&end
#
# 11 LYS HN 25 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 348, 349, 350,
&end
#
# 11 LYS HN 25 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 352, 353, 354,
&end
#
# 11 LYS QB 11 LYS QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 129, 130,
igr2= 135, 136,
&end
#
# 11 LYS QB 11 LYS QE 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 129, 130,
igr2= 138, 139,
&end
#
# 11 LYS QB 12 CYM HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 129, 130,
&end
#
# 11 LYS QD 12 CYM HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 135, 136,
&end
#
# 11 LYS QD 16 GLU HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 135, 136,
&end
#
# 11 LYS QD 18 ALA QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 135, 136,
igr2= 237, 238, 239,
&end
#
# 11 LYS QE 12 CYM HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 138, 139,
&end
#
# 11 LYS QE 16 GLU HA 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 138, 139,
&end
#
# 11 LYS QE 16 GLU QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 138, 139,
igr2= 201, 202,
&end
#
# 11 LYS QE 16 GLU QG 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 138, 139,
igr2= 204, 205,
&end
#
# 11 LYS QE 18 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 138, 139,
igr2= 237, 238, 239,
&end
#
# 11 LYS QG 12 CYM HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 132, 133,
&end
#
# 11 LYS QG 18 ALA QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 132, 133,
igr2= 237, 238, 239,
&end
#
# 12 CYM HA 13 SER HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 CYM HA 13 SER QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 161, 162,
&end
#
# 12 CYM HA 14 LEU HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 149, 168, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 12 CYM HA 15 CYM HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 149, 187, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 12 CYM HA 25 LEU QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 348, 349, 350,
&end
#
# 12 CYM HA 25 LEU QD2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 352, 353, 354,
&end
#
# 12 CYM HA 29 MET QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 418, 419, 420,
&end
#
# 12 CYM HB2 13 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 12 CYM HB2 14 LEU HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 152, 168, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 12 CYM HB2 15 CYM HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 152, 187, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 12 CYM HB2 17 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 152, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 CYM HB2 17 TYR HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat= 152, 217, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 12 CYM HB2 17 TYR QD 3.46
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 220, 229,
&end
#
# 12 CYM HB2 18 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 237, 238, 239,
&end
#
# 12 CYM HB2 25 LEU QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 348, 349, 350,
&end
#
# 12 CYM HB2 25 LEU QD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 352, 353, 354,
&end
#
# 12 CYM HB2 28 HIS HD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 152, 403, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 12 CYM HB3 13 SER HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 151, 157, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 12 CYM HB3 14 LEU HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 151, 168, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 12 CYM HB3 15 CYM HN 3.23
&rst
ixpk= 0, nxpk= 0, iat= 151, 187, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 12 CYM HB3 17 TYR HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 151, 214, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 12 CYM HB3 17 TYR HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 151, 216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 12 CYM HB3 17 TYR HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 151, 217, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 12 CYM HB3 17 TYR HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 151, 212, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 12 CYM HB3 17 TYR QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 220, 229,
&end
#
# 12 CYM HB3 25 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 348, 349, 350,
&end
#
# 12 CYM HB3 25 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 352, 353, 354,
&end
#
# 12 CYM HB3 28 HIS HD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 151, 403, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 12 CYM HB3 29 MET QE 5.10
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 418, 419, 420,
&end
#
# 12 CYM HN 12 CYM HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 12 CYM HN 12 CYM HB3 3.09
&rst
ixpk= 0, nxpk= 0, iat= 147, 151, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 12 CYM HN 13 SER HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 147, 157, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 12 CYM HN 15 CYM HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 147, 187, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 12 CYM HN 17 TYR HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 147, 217, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 12 CYM HN 17 TYR QD 3.85
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 220, 229,
&end
#
# 12 CYM HN 18 ALA HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= 147, 235, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 12 CYM HN 18 ALA QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 237, 238, 239,
&end
#
# 12 CYM HN 25 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 348, 349, 350,
&end
#
# 12 CYM HN 25 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 352, 353, 354,
&end
#
# 12 CYM HN 28 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 147, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 SER HN 13 SER QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 161, 162,
&end
#
# 13 SER HN 14 LEU HG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 157, 175, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 13 SER HN 14 LEU HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 157, 168, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 13 SER HN 14 LEU QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 181, 182, 183,
&end
#
# 13 SER HN 25 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 348, 349, 350,
&end
#
# 13 SER HN 25 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 352, 353, 354,
&end
#
# 13 SER HN 29 MET QE 4.19
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 418, 419, 420,
&end
#
# 13 SER QB 14 LEU HG 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 161, 162,
&end
#
# 13 SER QB 14 LEU HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 161, 162,
&end
#
# 13 SER QB 14 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 161, 162,
igr2= 177, 178, 179,
&end
#
# 13 SER QB 14 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 161, 162,
igr2= 181, 182, 183,
&end
#
# 13 SER QB 29 MET QE 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 161, 162,
igr2= 418, 419, 420,
&end
#
# 14 LEU HA 14 LEU HG 3.81
&rst
ixpk= 0, nxpk= 0, iat= 170, 175, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 14 LEU HA 14 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 177, 178, 179,
&end
#
# 14 LEU HA 14 LEU QD2 2.81
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 181, 182, 183,
&end
#
# 14 LEU HB2 14 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 177, 178, 179,
&end
#
# 14 LEU HB2 15 CYM HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 172, 192, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 14 LEU HB2 15 CYM HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 172, 191, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 14 LEU HB2 15 CYM HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 172, 187, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 14 LEU HB2 29 MET QE 4.82
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 418, 419, 420,
&end
#
# 14 LEU HB2 32 HIS HD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 172, 475, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 14 LEU HB2 32 HIS HE1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 172, 472, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 14 LEU HB3 14 LEU QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 177, 178, 179,
&end
#
# 14 LEU HB3 14 LEU QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 181, 182, 183,
&end
#
# 14 LEU HB3 15 CYM HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 173, 191, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 14 LEU HB3 15 CYM HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 173, 187, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 14 LEU HB3 29 MET QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 418, 419, 420,
&end
#
# 14 LEU HB3 32 HIS HD2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 173, 475, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 14 LEU HB3 32 HIS HE1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 173, 472, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 14 LEU HB3 32 HIS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 466, 467,
&end
#
# 14 LEU HG 15 CYM HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 175, 187, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 14 LEU HG 29 MET QE 3.46
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 418, 419, 420,
&end
#
# 14 LEU HG 32 HIS HD2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 175, 475, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 14 LEU HN 14 LEU HB2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 14 LEU HN 14 LEU HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 14 LEU HN 14 LEU HG 3.49
&rst
ixpk= 0, nxpk= 0, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 14 LEU HN 14 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 177, 178, 179,
&end
#
# 14 LEU HN 14 LEU QD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 181, 182, 183,
&end
#
# 14 LEU HN 15 CYM HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 14 LEU HN 15 CYM HN 2.79
&rst
ixpk= 0, nxpk= 0, iat= 168, 187, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 14 LEU HN 29 MET QE 4.17
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 418, 419, 420,
&end
#
# 14 LEU QD1 15 CYM HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 177, 178, 179,
&end
#
# 14 LEU QD1 29 MET HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 177, 178, 179,
&end
#
# 14 LEU QD1 29 MET HG3 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 177, 178, 179,
&end
#
# 14 LEU QD1 29 MET QE 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 177, 178, 179,
igr2= 418, 419, 420,
&end
#
# 14 LEU QD1 32 HIS HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 177, 178, 179,
&end
#
# 14 LEU QD1 32 HIS HD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 177, 178, 179,
&end
#
# 14 LEU QD1 32 HIS HE1 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 177, 178, 179,
&end
#
# 14 LEU QD1 32 HIS HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 177, 178, 179,
&end
#
# 14 LEU QD1 32 HIS QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 177, 178, 179,
igr2= 466, 467,
&end
#
# 14 LEU QD2 15 CYM HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 181, 182, 183,
&end
#
# 14 LEU QD2 29 MET QE 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 181, 182, 183,
igr2= 418, 419, 420,
&end
#
# 14 LEU QD2 32 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 181, 182, 183,
&end
#
# 14 LEU QD2 32 HIS QB 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 181, 182, 183,
igr2= 466, 467,
&end
#
# 15 CYM HA 16 GLU HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 189, 197, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 15 CYM HA 17 TYR HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 189, 212, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 15 CYM HA 32 HIS HE1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 189, 472, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 15 CYM HB2 16 GLU HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 192, 201, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 15 CYM HB2 16 GLU HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 192, 202, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 15 CYM HB2 16 GLU HN 3.01
&rst
ixpk= 0, nxpk= 0, iat= 192, 197, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 15 CYM HB2 16 GLU QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 201, 202,
&end
#
# 15 CYM HB2 17 TYR HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 192, 212, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 15 CYM HB2 32 HIS HE1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 192, 472, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 15 CYM HB3 16 GLU HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 191, 197, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 15 CYM HB3 17 TYR HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 191, 217, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 15 CYM HB3 17 TYR HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 191, 212, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 15 CYM HB3 32 HIS HE1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 191, 472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 15 CYM HN 15 CYM HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 15 CYM HN 16 GLU HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 15 CYM HN 17 TYR HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 187, 217, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 15 CYM HN 17 TYR HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 187, 212, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 15 CYM HN 29 MET QE 5.28
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 418, 419, 420,
&end
#
# 16 GLU HA 16 GLU HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 GLU HA 16 GLU HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 205, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 GLU HA 16 GLU QG 3.48
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 204, 205,
&end
#
# 16 GLU HA 17 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 GLU HA 18 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 237, 238, 239,
&end
#
# 16 GLU HB2 17 TYR HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 201, 212, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 16 GLU HB3 17 TYR HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 202, 212, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 16 GLU HN 16 GLU HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 16 GLU HN 16 GLU HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 16 GLU HN 16 GLU HG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 197, 204, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 16 GLU HN 16 GLU HG3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 197, 205, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 16 GLU HN 16 GLU QG 4.19
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 204, 205,
&end
#
# 16 GLU HN 17 TYR HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 197, 212, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 16 GLU QB 17 TYR HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 201, 202,
&end
#
# 17 TYR HA 17 TYR QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 220, 229,
&end
#
# 17 TYR HA 18 ALA HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 214, 235, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 17 TYR HA 18 ALA HN 2.63
&rst
ixpk= 0, nxpk= 0, iat= 214, 233, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 17 TYR HA 18 ALA QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 237, 238, 239,
&end
#
# 17 TYR HA 28 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 214, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 TYR HB2 18 ALA HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 216, 233, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 TYR HB2 25 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 348, 349, 350,
&end
#
# 17 TYR HB2 28 HIS HE1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 216, 400, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 17 TYR HB3 18 ALA HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 217, 233, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 17 TYR HB3 28 HIS HD2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 217, 403, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 17 TYR HB3 28 HIS HE1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 217, 400, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 17 TYR HN 17 TYR HB2 2.99
&rst
ixpk= 0, nxpk= 0, iat= 212, 216, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 17 TYR HN 17 TYR HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 212, 217, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 17 TYR HN 17 TYR QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 220, 229,
&end
#
# 17 TYR HN 18 ALA HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 212, 233, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 17 TYR HN 18 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 237, 238, 239,
&end
#
# 17 TYR HN 25 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 348, 349, 350,
&end
#
# 17 TYR HN 28 HIS HE1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 212, 400, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 17 TYR QD 18 ALA HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 220, 229,
&end
#
# 17 TYR QD 18 ALA HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 220, 229,
&end
#
# 17 TYR QD 18 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 220, 229,
igr2= 237, 238, 239,
&end
#
# 17 TYR QD 19 THR HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 220, 229,
&end
#
# 17 TYR QD 19 THR QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 220, 229,
igr2= 249, 250, 251,
&end
#
# 17 TYR QD 25 LEU HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 220, 229,
&end
#
# 17 TYR QD 25 LEU HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 220, 229,
&end
#
# 17 TYR QD 25 LEU HG 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 220, 229,
&end
#
# 17 TYR QD 25 LEU QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 220, 229,
igr2= 348, 349, 350,
&end
#
# 17 TYR QD 25 LEU QD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 220, 229,
igr2= 352, 353, 354,
&end
#
# 17 TYR QD 28 HIS HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 220, 229,
&end
#
# 17 TYR QD 28 HIS HD2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 220, 229,
&end
#
# 17 TYR QD 28 HIS HE1 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 220, 229,
&end
#
# 17 TYR QE 18 ALA HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 222, 227,
&end
#
# 17 TYR QE 19 THR HB 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 222, 227,
&end
#
# 17 TYR QE 19 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 222, 227,
&end
#
# 17 TYR QE 19 THR QG2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 222, 227,
igr2= 249, 250, 251,
&end
#
# 17 TYR QE 24 ASN QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 222, 227,
igr2= 329, 330,
&end
#
# 17 TYR QE 25 LEU HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 222, 227,
&end
#
# 17 TYR QE 25 LEU HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 222, 227,
&end
#
# 17 TYR QE 25 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 222, 227,
&end
#
# 17 TYR QE 25 LEU HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 222, 227,
&end
#
# 17 TYR QE 25 LEU QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 222, 227,
igr2= 348, 349, 350,
&end
#
# 17 TYR QE 25 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 222, 227,
igr2= 352, 353, 354,
&end
#
# 17 TYR QE 26 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 222, 227,
&end
#
# 17 TYR QE 27 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= 222, 227,
igr2= 384, 385, 386,
&end
#
# 17 TYR QE 28 HIS HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 222, 227,
&end
#
# 17 TYR QE 28 HIS HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 222, 227,
&end
#
# 17 TYR QE 28 HIS HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 222, 227,
&end
#
# 17 TYR QE 28 HIS HD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 222, 227,
&end
#
# 17 TYR QE 28 HIS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 222, 227,
&end
#
# 17 TYR QE 29 MET HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 222, 227,
&end
#
# 18 ALA HA 19 THR HN 2.84
&rst
ixpk= 0, nxpk= 0, iat= 235, 243, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 18 ALA HA 19 THR QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 249, 250, 251,
&end
#
# 18 ALA HA 25 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 348, 349, 350,
&end
#
# 18 ALA HN 18 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 237, 238, 239,
&end
#
# 18 ALA HN 19 THR HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 233, 243, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 18 ALA QB 19 THR HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 237, 238, 239,
&end
#
# 18 ALA QB 19 THR HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 243, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 237, 238, 239,
&end
#
# 19 THR HA 19 THR QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 249, 250, 251,
&end
#
# 19 THR HB 24 ASN QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 329, 330,
&end
#
# 19 THR HB 25 LEU HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 247, 339, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 19 THR HB 25 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 348, 349, 350,
&end
#
# 19 THR HN 19 THR HB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 243, 247, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 19 THR HN 19 THR QG2 3.09
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 249, 250, 251,
&end
#
# 19 THR HN 25 LEU HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 243, 343, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 19 THR HN 25 LEU QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 348, 349, 350,
&end
#
# 19 THR HN 25 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 243, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 352, 353, 354,
&end
#
# 19 THR QG2 21 SER HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 249, 250, 251,
&end
#
# 19 THR QG2 21 SER QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 249, 250, 251,
igr2= 285, 286,
&end
#
# 19 THR QG2 22 LYS HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 249, 250, 251,
&end
#
# 19 THR QG2 24 ASN QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 249, 250, 251,
igr2= 329, 330,
&end
#
# 19 THR QG2 25 LEU HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 249, 250, 251,
&end
#
# 19 THR QG2 25 LEU HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 249, 250, 251,
&end
#
# 19 THR QG2 25 LEU HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 249, 250, 251,
&end
#
# 19 THR QG2 25 LEU HG 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 249, 250, 251,
&end
#
# 19 THR QG2 25 LEU HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 249, 250, 251,
&end
#
# 19 THR QG2 25 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 249, 250, 251,
igr2= 348, 349, 350,
&end
#
# 19 THR QG2 25 LEU QD2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 249, 250, 251,
igr2= 352, 353, 354,
&end
#
# 19 THR QG2 26 LYS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 249, 250, 251,
&end
#
# 19 THR QG2 28 HIS HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 249, 250, 251,
&end
#
# 20 ARG HA 20 ARG HG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 259, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 20 ARG HA 20 ARG HG3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 259, 265, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 20 ARG HA 20 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 267, 268,
&end
#
# 20 ARG HB2 20 ARG QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 267, 268,
&end
#
# 20 ARG HB2 21 SER HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 261, 281, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 20 ARG HB3 20 ARG QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 267, 268,
&end
#
# 20 ARG HB3 21 SER HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 262, 281, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 20 ARG HG2 21 SER HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 264, 281, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 ARG QB 20 ARG QD 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 261, 262,
igr2= 267, 268,
&end
#
# 20 ARG QB 21 SER HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 261, 262,
&end
#
# 21 SER HN 21 SER HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 SER HN 21 SER HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 281, 286, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 SER HN 21 SER QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 285, 286,
&end
#
# 21 SER HN 24 ASN QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 329, 330,
&end
#
# 21 SER QB 24 ASN HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 285, 286,
&end
#
# 21 SER QB 24 ASN HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 285, 286,
&end
#
# 21 SER QB 24 ASN QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 285, 286,
igr2= 329, 330,
&end
#
# 21 SER QB 25 LEU HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 285, 286,
&end
#
# 22 LYS HA 22 LYS QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 302, 303,
&end
#
# 22 LYS HA 22 LYS QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 299, 300,
&end
#
# 22 LYS HA 25 LEU HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 294, 343, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 22 LYS HA 25 LEU HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 294, 344, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 22 LYS HA 25 LEU HG 5.30
&rst
ixpk= 0, nxpk= 0, iat= 294, 346, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 22 LYS HA 25 LEU HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 294, 339, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 22 LYS HA 25 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 352, 353, 354,
&end
#
# 22 LYS HA 26 LYS HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 294, 358, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 22 LYS QB 23 SER HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 296, 297,
&end
#
# 22 LYS QB 26 LYS HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 296, 297,
&end
#
# 22 LYS QG 22 LYS QE 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 299, 300,
igr2= 305, 306,
&end
#
# 22 LYS QG 23 SER HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 299, 300,
&end
#
# 23 SER HA 24 ASN HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 316, 327, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 23 SER HA 25 LEU HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 316, 339, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 23 SER HA 26 LYS HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 316, 358, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 23 SER HA 26 LYS QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 362, 363,
&end
#
# 23 SER HA 26 LYS QD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 368, 369,
&end
#
# 23 SER HA 26 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 365, 366,
&end
#
# 23 SER HA 27 ALA HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 316, 380, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 23 SER QB 24 ASN HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 318, 319,
&end
#
# 23 SER QB 26 LYS QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 318, 319,
igr2= 362, 363,
&end
#
# 23 SER QB 27 ALA QB 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 318, 319,
igr2= 384, 385, 386,
&end
#
# 24 ASN HA 26 LYS HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 327, 358, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 24 ASN HA 27 ALA HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 327, 380, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 24 ASN HA 27 ALA QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 384, 385, 386,
&end
#
# 24 ASN HA 28 HIS HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 327, 390, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 24 ASN HN 24 ASN QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 329, 330,
&end
#
# 24 ASN QB 25 LEU HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 329, 330,
&end
#
# 24 ASN QB 25 LEU HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 329, 330,
&end
#
# 24 ASN QB 26 LYS HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 329, 330,
&end
#
# 24 ASN QB 27 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 329, 330,
&end
#
# 24 ASN QB 27 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 329, 330,
igr2= 384, 385, 386,
&end
#
# 25 LEU HA 25 LEU HG 4.04
&rst
ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 25 LEU HA 25 LEU QD1 2.95
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 348, 349, 350,
&end
#
# 25 LEU HA 25 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 352, 353, 354,
&end
#
# 25 LEU HA 27 ALA HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 341, 380, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 25 LEU HA 28 HIS HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 341, 392, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 25 LEU HA 28 HIS HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 341, 394, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 25 LEU HA 28 HIS HB3 3.47
&rst
ixpk= 0, nxpk= 0, iat= 341, 395, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 25 LEU HA 28 HIS HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 341, 390, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 25 LEU HB2 25 LEU QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 348, 349, 350,
&end
#
# 25 LEU HB2 25 LEU QD2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 352, 353, 354,
&end
#
# 25 LEU HB2 26 LYS HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 343, 358, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 25 LEU HB2 28 HIS HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 343, 395, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 25 LEU HB2 29 MET HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 343, 414, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 25 LEU HB3 25 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 348, 349, 350,
&end
#
# 25 LEU HB3 25 LEU QD2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 352, 353, 354,
&end
#
# 25 LEU HB3 26 LYS HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 344, 360, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 25 LEU HB3 26 LYS HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 344, 358, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 25 LEU HG 26 LYS HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 346, 360, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 25 LEU HG 26 LYS HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 346, 358, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 25 LEU HG 29 MET HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 346, 414, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 25 LEU HG 29 MET HG3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 346, 415, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 25 LEU HG 29 MET HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 346, 407, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 25 LEU HN 25 LEU HB2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 25 LEU HN 25 LEU HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 25 LEU HN 25 LEU HG 4.69
&rst
ixpk= 0, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 25 LEU HN 25 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 348, 349, 350,
&end
#
# 25 LEU HN 25 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 352, 353, 354,
&end
#
# 25 LEU HN 27 ALA HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 339, 380, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 25 LEU HN 28 HIS HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 339, 395, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 25 LEU QD1 26 LYS HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 26 LYS HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 26 LYS QB 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 348, 349, 350,
igr2= 362, 363,
&end
#
# 25 LEU QD1 27 ALA HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 27 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 348, 349, 350,
igr2= 384, 385, 386,
&end
#
# 25 LEU QD1 28 HIS HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 28 HIS HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 28 HIS HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 28 HIS HD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 28 HIS HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 29 MET HG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 29 MET HG3 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 29 MET HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD1 29 MET QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 348, 349, 350,
igr2= 411, 412,
&end
#
# 25 LEU QD1 29 MET QE 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 348, 349, 350,
igr2= 418, 419, 420,
&end
#
# 25 LEU QD1 32 HIS HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 348, 349, 350,
&end
#
# 25 LEU QD2 26 LYS HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 352, 353, 354,
&end
#
# 25 LEU QD2 26 LYS HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 352, 353, 354,
&end
#
# 26 LYS HA 26 LYS HG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 26 LYS HA 26 LYS HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 360, 366, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 26 LYS HA 26 LYS QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 368, 369,
&end
#
# 26 LYS HA 26 LYS QE 4.79
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 371, 372,
&end
#
# 26 LYS HA 26 LYS QG 3.29
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 365, 366,
&end
#
# 26 LYS HA 27 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 384, 385, 386,
&end
#
# 26 LYS HA 29 MET HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 360, 414, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 26 LYS HA 29 MET HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 360, 415, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 26 LYS HA 29 MET HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 360, 407, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 26 LYS HA 29 MET QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 411, 412,
&end
#
# 26 LYS HA 30 ASN HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 360, 424, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 26 LYS HG2 27 ALA HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 365, 380, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 26 LYS HG3 27 ALA HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 366, 380, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 26 LYS HN 26 LYS HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 358, 365, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 26 LYS HN 26 LYS HG3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 358, 366, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 26 LYS HN 26 LYS QB 2.84
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 362, 363,
&end
#
# 26 LYS HN 26 LYS QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 368, 369,
&end
#
# 26 LYS HN 26 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 371, 372,
&end
#
# 26 LYS HN 27 ALA HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 358, 380, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 26 LYS HN 27 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 384, 385, 386,
&end
#
# 26 LYS HN 29 MET HG2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 358, 414, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 26 LYS HN 29 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 358, 415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS HN 29 MET HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 358, 407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 26 LYS QB 26 LYS QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 362, 363,
igr2= 371, 372,
&end
#
# 26 LYS QB 27 ALA HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 362, 363,
&end
#
# 26 LYS QB 27 ALA HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 362, 363,
&end
#
# 26 LYS QB 27 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 362, 363,
igr2= 384, 385, 386,
&end
#
# 26 LYS QB 28 HIS HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 362, 363,
&end
#
# 26 LYS QD 27 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 368, 369,
&end
#
# 26 LYS QD 27 ALA HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 368, 369,
&end
#
# 26 LYS QE 27 ALA HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 371, 372,
&end
#
# 26 LYS QE 27 ALA HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 371, 372,
&end
#
# 26 LYS QE 27 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 371, 372,
igr2= 384, 385, 386,
&end
#
# 26 LYS QE 30 ASN QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 371, 372,
igr2= 433, 434,
&end
#
# 26 LYS QG 27 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 365, 366,
&end
#
# 26 LYS QG 30 ASN QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 365, 366,
igr2= 433, 434,
&end
#
# 27 ALA HA 29 MET HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 382, 407, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 27 ALA HA 30 ASN HD21 4.59
&rst
ixpk= 0, nxpk= 0, iat= 382, 433, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 27 ALA HA 30 ASN HD22 4.59
&rst
ixpk= 0, nxpk= 0, iat= 382, 434, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 27 ALA HA 30 ASN HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 382, 424, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 27 ALA HA 30 ASN QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 428, 429,
&end
#
# 27 ALA HA 30 ASN QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 433, 434,
&end
#
# 27 ALA HN 27 ALA QB 2.70
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 384, 385, 386,
&end
#
# 27 ALA HN 28 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ALA HN 28 HIS HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 380, 395, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 27 ALA HN 28 HIS HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 380, 390, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 27 ALA HN 29 MET HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 380, 407, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 27 ALA HN 30 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 428, 429,
&end
#
# 27 ALA QB 28 HIS HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 384, 385, 386,
&end
#
# 27 ALA QB 28 HIS HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 384, 385, 386,
&end
#
# 27 ALA QB 28 HIS HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 384, 385, 386,
&end
#
# 27 ALA QB 28 HIS HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 384, 385, 386,
&end
#
# 27 ALA QB 29 MET HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 384, 385, 386,
&end
#
# 27 ALA QB 30 ASN HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 384, 385, 386,
&end
#
# 27 ALA QB 30 ASN QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 384, 385, 386,
igr2= 428, 429,
&end
#
# 27 ALA QB 30 ASN QD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 384, 385, 386,
igr2= 433, 434,
&end
#
# 27 ALA QB 31 ARG QD 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 384, 385, 386,
igr2= 448, 449,
&end
#
# 28 HIS HA 28 HIS HD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 392, 403, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 28 HIS HA 29 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 392, 409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 HIS HA 30 ASN QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 428, 429,
&end
#
# 28 HIS HA 31 ARG HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 392, 442, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 28 HIS HA 31 ARG HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 392, 443, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 28 HIS HA 31 ARG HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 392, 438, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 HIS HA 31 ARG QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 448, 449,
&end
#
# 28 HIS HA 31 ARG QG 4.32
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 445, 446,
&end
#
# 28 HIS HB2 29 MET HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 394, 407, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 28 HIS HB3 28 HIS HD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 28 HIS HB3 29 MET HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 395, 407, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 28 HIS HB3 30 ASN HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 395, 424, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 28 HIS HD2 29 MET HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 403, 409, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 28 HIS HD2 29 MET HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 403, 414, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 28 HIS HD2 29 MET HG3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 403, 415, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 28 HIS HD2 29 MET HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 403, 407, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 HIS HD2 29 MET QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 411, 412,
&end
#
# 28 HIS HD2 29 MET QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 418, 419, 420,
&end
#
# 28 HIS HD2 32 HIS HD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 403, 475, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 28 HIS HE1 31 ARG QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 448, 449,
&end
#
# 28 HIS HN 28 HIS HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 28 HIS HN 28 HIS HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 390, 395, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 HIS HN 28 HIS HD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 390, 403, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 28 HIS HN 29 MET HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 390, 414, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 28 HIS HN 29 MET HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= 390, 407, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 28 HIS HN 29 MET QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 411, 412,
&end
#
# 28 HIS HN 30 ASN HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 390, 424, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 28 HIS HN 30 ASN QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 428, 429,
&end
#
# 28 HIS HN 31 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 448, 449,
&end
#
# 29 MET HA 29 MET HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 409, 414, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 29 MET HA 29 MET HG3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 409, 415, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 29 MET HA 29 MET QE 3.30
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 418, 419, 420,
&end
#
# 29 MET HA 31 ARG HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 409, 438, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 29 MET HA 32 HIS HD2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 409, 475, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 29 MET HA 32 HIS HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 409, 462, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 29 MET HA 32 HIS QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 466, 467,
&end
#
# 29 MET HG2 29 MET QE 3.55
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 418, 419, 420,
&end
#
# 29 MET HG2 30 ASN HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 414, 424, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 29 MET HG2 32 HIS HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 414, 475, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 29 MET HG3 29 MET QE 3.27
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 418, 419, 420,
&end
#
# 29 MET HG3 32 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 415, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 MET HN 29 MET HG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 407, 414, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 29 MET HN 29 MET HG3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 407, 415, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 MET HN 29 MET QB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 411, 412,
&end
#
# 29 MET HN 29 MET QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 418, 419, 420,
&end
#
# 29 MET HN 30 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 MET HN 30 ASN HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 407, 424, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 29 MET HN 30 ASN QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 428, 429,
&end
#
# 29 MET HN 32 HIS HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 407, 475, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 29 MET QB 30 ASN HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 411, 412,
&end
#
# 29 MET QB 30 ASN QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 411, 412,
igr2= 428, 429,
&end
#
# 29 MET QB 32 HIS HD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 411, 412,
&end
#
# 29 MET QE 30 ASN HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 418, 419, 420,
&end
#
# 29 MET QE 32 HIS HD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 418, 419, 420,
&end
#
# 29 MET QE 32 HIS HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 418, 419, 420,
&end
#
# 29 MET QE 32 HIS QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 418, 419, 420,
igr2= 466, 467,
&end
#
# 30 ASN HA 30 ASN QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 433, 434,
&end
#
# 30 ASN HA 33 SER QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 483, 484,
&end
#
# 30 ASN HN 30 ASN QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 428, 429,
&end
#
# 30 ASN HN 30 ASN QD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 433, 434,
&end
#
# 30 ASN HN 32 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ASN QB 30 ASN HD21 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 428, 429,
&end
#
# 30 ASN QB 30 ASN HD22 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 428, 429,
&end
#
# 30 ASN QB 31 ARG HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 428, 429,
&end
#
# 30 ASN QB 31 ARG HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 428, 429,
&end
#
# 30 ASN QB 33 SER HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 428, 429,
&end
#
# 30 ASN QB 33 SER HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 428, 429,
&end
#
# 30 ASN QB 33 SER QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 428, 429,
igr2= 483, 484,
&end
#
# 31 ARG HA 31 ARG QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 448, 449,
&end
#
# 31 ARG HA 31 ARG QG 3.10
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 445, 446,
&end
#
# 31 ARG HA 34 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 496, 497, 498,
&end
#
# 31 ARG HB2 31 ARG QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 448, 449,
&end
#
# 31 ARG HB2 32 HIS HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 31 ARG HB2 32 HIS HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 442, 462, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 ARG HB3 31 ARG QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 448, 449,
&end
#
# 31 ARG HB3 31 ARG QG 2.88
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 445, 446,
&end
#
# 31 ARG HB3 32 HIS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 443, 462, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 31 ARG HN 31 ARG HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 438, 442, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 31 ARG HN 31 ARG HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 438, 443, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 31 ARG HN 31 ARG QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 448, 449,
&end
#
# 31 ARG HN 31 ARG QG 3.62
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 445, 446,
&end
#
# 31 ARG HN 32 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 438, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ARG HN 32 HIS HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 438, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 ARG HN 32 HIS QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 466, 467,
&end
#
# 31 ARG QG 32 HIS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 445, 446,
&end
#
# 32 HIS HN 32 HIS HD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 462, 475, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 32 HIS HN 32 HIS QB 2.85
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 466, 467,
&end
#
# 32 HIS QB 32 HIS HD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 466, 467,
&end
#
# 33 SER HB2 34 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 496, 497, 498,
&end
#
# 33 SER HB3 34 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 496, 497, 498,
&end
#
# 34 THR HA 34 THR QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 496, 497, 498,
&end
#
# 34 THR HA 35 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 508, 509,
&end
#
# 34 THR HN 34 THR QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 496, 497, 498,
&end
#
# 34 THR QG2 35 GLU HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 496, 497, 498,
&end
#
# 35 GLU HA 36 LYS HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 506, 519, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 35 GLU HA 36 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 526, 527,
&end
#
# 35 GLU HB2 36 LYS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 508, 519, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 35 GLU HB3 36 LYS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 509, 519, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 35 GLU HN 35 GLU QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 508, 509,
&end
#
# 35 GLU HN 35 GLU QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 511, 512,
&end
#
# 35 GLU QB 36 LYS HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 508, 509,
&end
#
# 35 GLU QG 36 LYS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 511, 512,
&end
#
# 36 LYS HA 36 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 529, 530,
&end
#
# 36 LYS HN 36 LYS QD 4.73
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 529, 530,
&end
#
# 36 LYS HN 36 LYS QG 4.47
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 526, 527,
&end
#
# 36 LYS QG 36 LYS QE 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 526, 527,
igr2= 532, 533,
&end
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