NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588741 |
2ruz   |
11479 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 7 GLY QA 8 ILE HB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr1= 64, 65,
&end
#
# 7 GLY QA 8 ILE HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 64, 65,
&end
#
# 7 GLY QA 8 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 64, 65,
igr2= 82, 83, 84,
&end
#
# 7 GLY QA 8 ILE QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 64, 65,
igr2= 79, 80,
&end
#
# 7 GLY QA 8 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= 64, 65,
igr2= 75, 76, 77,
&end
#
# 8 ILE HA 8 ILE HG12 4.00
&rst
ixpk= 0, nxpk= 0, iat= 71, 79, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 ILE HA 8 ILE HG13 4.00
&rst
ixpk= 0, nxpk= 0, iat= 71, 80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 ILE HA 8 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 82, 83, 84,
&end
#
# 8 ILE HA 8 ILE QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 75, 76, 77,
&end
#
# 8 ILE HA 9 LEU HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 71, 88, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 8 ILE HB 8 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 82, 83, 84,
&end
#
# 8 ILE HB 9 LEU HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 73, 88, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 8 ILE HN 8 ILE HB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 8 ILE HN 8 ILE HG12 4.01
&rst
ixpk= 0, nxpk= 0, iat= 69, 79, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 8 ILE HN 8 ILE HG13 4.01
&rst
ixpk= 0, nxpk= 0, iat= 69, 80, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 8 ILE HN 8 ILE QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 82, 83, 84,
&end
#
# 8 ILE HN 8 ILE QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 75, 76, 77,
&end
#
# 8 ILE HN 9 LEU HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 69, 88, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 8 ILE QG2 8 ILE HG12 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 8 ILE HG13 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 8 ILE QG1 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 75, 76, 77,
igr2= 79, 80,
&end
#
# 8 ILE QG2 9 LEU HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 75, 76, 77,
&end
#
# 9 LEU HA 10 LEU HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 90, 109, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 9 LEU HA 10 LEU HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 90, 111, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 9 LEU HA 10 LEU HG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 90, 114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 LEU HA 10 LEU HN 2.74
&rst
ixpk= 0, nxpk= 0, iat= 90, 107, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 9 LEU HA 20 SER HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 90, 252, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 9 LEU HA 21 THR HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 90, 259, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 9 LEU HA 22 PRO HA 3.39
&rst
ixpk= 0, nxpk= 0, iat= 90, 283, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 9 LEU HA 22 PRO HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 90, 280, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 9 LEU HA 22 PRO HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 90, 281, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 9 LEU HA 22 PRO QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 280, 281,
&end
#
# 9 LEU HA 9 LEU HG 4.15
&rst
ixpk= 0, nxpk= 0, iat= 90, 95, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 9 LEU HA 9 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 97, 98, 99,
&end
#
# 9 LEU HA 9 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 101, 102, 103,
&end
#
# 9 LEU HA 9 LEU QQD 3.20
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU HB2 10 LEU HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 92, 107, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 9 LEU HB2 20 SER HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 92, 252, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 LEU HB2 9 LEU QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 97, 98, 99,
&end
#
# 9 LEU HB2 9 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 101, 102, 103,
&end
#
# 9 LEU HB3 10 LEU HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 93, 107, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 9 LEU HB3 20 SER HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 93, 252, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 LEU HB3 9 LEU QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 97, 98, 99,
&end
#
# 9 LEU HB3 9 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 101, 102, 103,
&end
#
# 9 LEU HG 20 SER HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 95, 252, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 9 LEU HN 10 LEU HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 88, 107, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 9 LEU HN 22 PRO QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 280, 281,
&end
#
# 9 LEU HN 9 LEU HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 88, 92, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 9 LEU HN 9 LEU HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 88, 93, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 9 LEU HN 9 LEU HG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 88, 95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 LEU HN 9 LEU QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 92, 93,
&end
#
# 9 LEU HN 9 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 97, 98, 99,
&end
#
# 9 LEU HN 9 LEU QD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 101, 102, 103,
&end
#
# 9 LEU QB 10 LEU HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 92, 93,
&end
#
# 9 LEU QB 20 SER HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 92, 93,
&end
#
# 9 LEU QB 20 SER HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 92, 93,
&end
#
# 9 LEU QB 20 SER HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 92, 93,
&end
#
# 9 LEU QB 21 THR HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 92, 93,
&end
#
# 9 LEU QB 22 PRO HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 92, 93,
&end
#
# 9 LEU QD1 10 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 97, 98, 99,
&end
#
# 9 LEU QD1 20 SER HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 97, 98, 99,
&end
#
# 9 LEU QD1 21 THR HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 97, 98, 99,
&end
#
# 9 LEU QD1 22 PRO HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 97, 98, 99,
&end
#
# 9 LEU QD1 22 PRO HD3 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 97, 98, 99,
&end
#
# 9 LEU QD1 22 PRO QG 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 97, 98, 99,
igr2= 277, 278,
&end
#
# 9 LEU QD2 10 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 101, 102, 103,
&end
#
# 9 LEU QD2 20 SER HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 101, 102, 103,
&end
#
# 9 LEU QD2 21 THR HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 101, 102, 103,
&end
#
# 9 LEU QD2 22 PRO HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 101, 102, 103,
&end
#
# 9 LEU QD2 22 PRO HD3 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 101, 102, 103,
&end
#
# 9 LEU QD2 22 PRO QG 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 101, 102, 103,
igr2= 277, 278,
&end
#
# 9 LEU QQD 10 LEU HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 20 SER HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 20 SER HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 20 SER HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 21 THR HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 21 THR HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 22 PRO HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 22 PRO HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 22 PRO HD3 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 22 PRO QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 280, 281,
&end
#
# 9 LEU QQD 22 PRO QG 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 277, 278,
&end
#
# 10 LEU HA 10 LEU HG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 109, 114, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 10 LEU HA 10 LEU QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 116, 117, 118,
&end
#
# 10 LEU HA 10 LEU QD2 3.08
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 120, 121, 122,
&end
#
# 10 LEU HA 11 LYS HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 109, 130, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 10 LEU HA 11 LYS HN 2.69
&rst
ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 10 LEU HA 11 LYS QG 5.02
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 133, 134,
&end
#
# 10 LEU HA 27 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 377, 378, 379,
&end
#
# 10 LEU HB2 10 LEU QD1 3.23
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 116, 117, 118,
&end
#
# 10 LEU HB2 10 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 120, 121, 122,
&end
#
# 10 LEU HB2 11 LYS HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 111, 126, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 10 LEU HB2 20 SER HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 111, 250, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 10 LEU HB2 21 THR HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 111, 259, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 10 LEU HB2 21 THR QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 265, 266, 267,
&end
#
# 10 LEU HB2 22 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 111, 283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 LEU HB2 27 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 377, 378, 379,
&end
#
# 10 LEU HB3 10 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 116, 117, 118,
&end
#
# 10 LEU HB3 10 LEU QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 120, 121, 122,
&end
#
# 10 LEU HB3 11 LYS HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 112, 126, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 10 LEU HB3 21 THR HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 112, 259, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 LEU HB3 21 THR QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 265, 266, 267,
&end
#
# 10 LEU HB3 27 LEU QD2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 377, 378, 379,
&end
#
# 10 LEU HG 21 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 114, 259, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 LEU HG 21 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 265, 266, 267,
&end
#
# 10 LEU HG 22 PRO HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 114, 283, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 10 LEU HN 10 LEU HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 107, 111, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 10 LEU HN 10 LEU HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 107, 112, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 10 LEU HN 10 LEU HG 3.27
&rst
ixpk= 0, nxpk= 0, iat= 107, 114, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 10 LEU HN 10 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 116, 117, 118,
&end
#
# 10 LEU HN 10 LEU QD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 120, 121, 122,
&end
#
# 10 LEU HN 11 LYS HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 10 LEU HN 21 THR QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 265, 266, 267,
&end
#
# 10 LEU HN 22 PRO HA 3.60
&rst
ixpk= 0, nxpk= 0, iat= 107, 283, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 LEU HN 27 LEU QD2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 377, 378, 379,
&end
#
# 10 LEU QD1 21 THR QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 116, 117, 118,
igr2= 265, 266, 267,
&end
#
# 10 LEU QD1 22 PRO HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD1 23 ASP HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD1 24 LYS HA 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD1 24 LYS HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD1 24 LYS HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD1 24 LYS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD1 24 LYS QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 116, 117, 118,
igr2= 309, 310,
&end
#
# 10 LEU QD1 24 LYS QG 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 116, 117, 118,
igr2= 306, 307,
&end
#
# 10 LEU QD1 27 LEU HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD1 27 LEU HB3 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD1 27 LEU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 116, 117, 118,
&end
#
# 10 LEU QD2 11 LYS HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 120, 121, 122,
&end
#
# 10 LEU QD2 22 PRO HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 120, 121, 122,
&end
#
# 10 LEU QD2 24 LYS HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 120, 121, 122,
&end
#
# 11 LYS HA 11 LYS HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 11 LYS HA 11 LYS HD3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 128, 137, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 11 LYS HA 11 LYS QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 136, 137,
&end
#
# 11 LYS HA 11 LYS QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 139, 140,
&end
#
# 11 LYS HA 11 LYS QG 3.84
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 133, 134,
&end
#
# 11 LYS HA 12 CYM HN 2.78
&rst
ixpk= 0, nxpk= 0, iat= 128, 148, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 11 LYS HA 20 SER HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= 128, 250, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 11 LYS HA 20 SER HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 128, 252, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 11 LYS HA 20 SER HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 128, 253, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 11 LYS HA 21 THR HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 128, 259, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 11 LYS HB2 11 LYS QE 5.07
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 139, 140,
&end
#
# 11 LYS HB2 11 LYS QG 2.83
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 133, 134,
&end
#
# 11 LYS HB2 12 CYM HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 130, 148, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 11 LYS HB2 20 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LYS HB3 11 LYS QE 5.03
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 139, 140,
&end
#
# 11 LYS HB3 12 CYM HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 11 LYS HD2 20 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 136, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LYS HD3 20 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 137, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LYS HN 11 LYS HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 11 LYS HN 11 LYS HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 11 LYS HN 11 LYS QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 133, 134,
&end
#
# 11 LYS HN 27 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 377, 378, 379,
&end
#
# 11 LYS QG 11 LYS QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 133, 134,
igr2= 139, 140,
&end
#
# 11 LYS QG 12 CYM HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 133, 134,
&end
#
# 11 LYS QG 20 SER HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 133, 134,
&end
#
# 11 LYS QG 20 SER HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 133, 134,
&end
#
# 12 CYM HA 13 PRO QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 159, 160,
&end
#
# 12 CYM HA 13 PRO QG 4.77
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 162, 163,
&end
#
# 12 CYM HA 19 TYR HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 150, 232, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 12 CYM HA 19 TYR QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 235, 244,
&end
#
# 12 CYM HA 27 LEU QD1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 373, 374, 375,
&end
#
# 12 CYM HA 27 LEU QD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 377, 378, 379,
&end
#
# 12 CYM HA 30 HIS HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 150, 423, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 12 CYM HB2 13 PRO QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 159, 160,
&end
#
# 12 CYM HB2 14 THR HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 CYM HB2 19 TYR HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 153, 231, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 12 CYM HB2 19 TYR HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 153, 232, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 12 CYM HB2 19 TYR HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 153, 227, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 12 CYM HB2 19 TYR QD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 235, 244,
&end
#
# 12 CYM HB2 19 TYR QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 237, 242,
&end
#
# 12 CYM HB2 27 LEU QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 373, 374, 375,
&end
#
# 12 CYM HB2 30 HIS HD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 153, 423, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 CYM HB3 14 THR HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 12 CYM HB3 19 TYR HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 152, 231, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 12 CYM HB3 19 TYR HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 152, 232, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 12 CYM HB3 19 TYR HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 152, 227, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 12 CYM HB3 19 TYR QD 4.09
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 235, 244,
&end
#
# 12 CYM HB3 27 LEU QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 373, 374, 375,
&end
#
# 12 CYM HB3 30 HIS HD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 152, 423, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 12 CYM HB3 31 LEU QQD 4.82
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 12 CYM HN 12 CYM HB2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 12 CYM HN 12 CYM HB3 3.08
&rst
ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 12 CYM HN 19 TYR HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 148, 232, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 12 CYM HN 19 TYR QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 235, 244,
&end
#
# 12 CYM HN 19 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 237, 242,
&end
#
# 12 CYM HN 20 SER HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= 148, 250, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 12 CYM HN 20 SER HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 148, 252, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 12 CYM HN 20 SER HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 148, 253, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 12 CYM HN 27 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 373, 374, 375,
&end
#
# 13 PRO HD2 27 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 373, 374, 375,
&end
#
# 13 PRO HD3 27 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 373, 374, 375,
&end
#
# 13 PRO QD 14 THR HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 159, 160,
&end
#
# 13 PRO QD 27 LEU HG 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 159, 160,
&end
#
# 13 PRO QD 27 LEU QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 159, 160,
igr2= 373, 374, 375,
&end
#
# 13 PRO QD 27 LEU QD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 159, 160,
igr2= 377, 378, 379,
&end
#
# 13 PRO QD 31 LEU QQD 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 159, 160,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 13 PRO QG 14 THR HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 162, 163,
&end
#
# 13 PRO QG 31 LEU QQD 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 162, 163,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 14 THR HA 14 THR QG2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 178, 179, 180,
&end
#
# 14 THR HA 15 ASP HN 2.97
&rst
ixpk= 0, nxpk= 0, iat= 174, 186, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 14 THR HA 15 ASP QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 190, 191,
&end
#
# 14 THR HB 15 ASP HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 176, 186, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 14 THR HB 17 CYM HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 176, 210, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 14 THR HB 17 CYM HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 176, 209, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 14 THR HB 17 CYM HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 176, 205, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 14 THR HB 34 HIS HE1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 176, 494, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 14 THR HN 14 THR HB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 14 THR HN 14 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 178, 179, 180,
&end
#
# 14 THR HN 17 CYM HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 172, 210, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 14 THR HN 17 CYM HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 172, 209, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 14 THR HN 17 CYM QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 210, 209,
&end
#
# 14 THR HN 31 LEU QQD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 14 THR QG2 15 ASP HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 178, 179, 180,
&end
#
# 14 THR QG2 15 ASP HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 178, 179, 180,
&end
#
# 14 THR QG2 15 ASP QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 178, 179, 180,
igr2= 190, 191,
&end
#
# 14 THR QG2 17 CYM HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 178, 179, 180,
&end
#
# 14 THR QG2 17 CYM HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 178, 179, 180,
&end
#
# 14 THR QG2 17 CYM HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 178, 179, 180,
&end
#
# 14 THR QG2 17 CYM QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 178, 179, 180,
igr2= 210, 209,
&end
#
# 14 THR QG2 34 HIS HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 178, 179, 180,
&end
#
# 14 THR QG2 34 HIS HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 178, 179, 180,
&end
#
# 14 THR QG2 34 HIS HD2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 178, 179, 180,
&end
#
# 14 THR QG2 34 HIS HE1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 178, 179, 180,
&end
#
# 15 ASP HA 16 GLY QA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 200, 201,
&end
#
# 15 ASP HA 17 CYM HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 188, 205, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 15 ASP HN 15 ASP QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 190, 191,
&end
#
# 15 ASP QB 16 GLY HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 190, 191,
&end
#
# 16 GLY HN 17 CYM HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 198, 205, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 16 GLY HN 17 CYM QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 210, 209,
&end
#
# 17 CYM HA 18 ASP HN 3.21
&rst
ixpk= 0, nxpk= 0, iat= 207, 215, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 17 CYM HA 19 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 207, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 CYM HA 19 TYR HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 207, 227, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 17 CYM HA 34 HIS HE1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 207, 494, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 17 CYM HB2 34 HIS HE1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 210, 494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 CYM HB3 34 HIS HE1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 209, 494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 CYM HN 17 CYM HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 17 CYM HN 17 CYM HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 17 CYM HN 18 ASP HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 205, 215, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 17 CYM QB 19 TYR HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 210, 209,
&end
#
# 17 CYM QB 34 HIS HE1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 210, 209,
&end
#
# 18 ASP HN 18 ASP QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 219, 220,
&end
#
# 18 ASP HN 19 TYR HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 215, 227, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 19 TYR HA 19 TYR QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 235, 244,
&end
#
# 19 TYR HA 19 TYR QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 237, 242,
&end
#
# 19 TYR HA 20 SER HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 229, 250, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 19 TYR HA 20 SER HN 2.65
&rst
ixpk= 0, nxpk= 0, iat= 229, 248, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 19 TYR HB2 20 SER HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 231, 248, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 19 TYR HB2 30 HIS HE1 3.75
&rst
ixpk= 0, nxpk= 0, iat= 231, 420, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 19 TYR HB3 20 SER HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 232, 248, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 19 TYR HB3 27 LEU QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 373, 374, 375,
&end
#
# 19 TYR HB3 30 HIS HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 232, 423, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 19 TYR HB3 30 HIS HE1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 232, 420, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 19 TYR HN 19 TYR HB2 3.09
&rst
ixpk= 0, nxpk= 0, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 19 TYR HN 19 TYR HB3 3.12
&rst
ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 19 TYR HN 19 TYR QD 4.43
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 235, 244,
&end
#
# 19 TYR HN 20 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 227, 248, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 19 TYR HN 30 HIS HE1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 227, 420, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 19 TYR QD 20 SER HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 235, 244,
&end
#
# 19 TYR QD 20 SER HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 235, 244,
&end
#
# 19 TYR QD 21 THR HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 235, 244,
&end
#
# 19 TYR QD 21 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 235, 244,
igr2= 265, 266, 267,
&end
#
# 19 TYR QD 27 LEU HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 235, 244,
&end
#
# 19 TYR QD 27 LEU HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 235, 244,
&end
#
# 19 TYR QD 27 LEU QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 235, 244,
igr2= 373, 374, 375,
&end
#
# 19 TYR QD 27 LEU QD2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 235, 244,
igr2= 377, 378, 379,
&end
#
# 19 TYR QD 30 HIS HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 235, 244,
&end
#
# 19 TYR QD 30 HIS HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 235, 244,
&end
#
# 19 TYR QD 30 HIS HD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 235, 244,
&end
#
# 19 TYR QD 30 HIS HE1 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 235, 244,
&end
#
# 19 TYR QE 20 SER HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 237, 242,
&end
#
# 19 TYR QE 20 SER HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 237, 242,
&end
#
# 19 TYR QE 21 THR HB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 237, 242,
&end
#
# 19 TYR QE 21 THR HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 237, 242,
&end
#
# 19 TYR QE 21 THR QG2 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 237, 242,
igr2= 265, 266, 267,
&end
#
# 19 TYR QE 26 LYS HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 237, 242,
&end
#
# 19 TYR QE 27 LEU HA 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 237, 242,
&end
#
# 19 TYR QE 27 LEU HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 237, 242,
&end
#
# 19 TYR QE 27 LEU HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 237, 242,
&end
#
# 19 TYR QE 27 LEU HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 237, 242,
&end
#
# 19 TYR QE 27 LEU QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 237, 242,
igr2= 373, 374, 375,
&end
#
# 19 TYR QE 27 LEU QD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 237, 242,
igr2= 377, 378, 379,
&end
#
# 19 TYR QE 30 HIS HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 237, 242,
&end
#
# 19 TYR QE 30 HIS HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 237, 242,
&end
#
# 19 TYR QE 30 HIS HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 237, 242,
&end
#
# 19 TYR QE 30 HIS HD2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 237, 242,
&end
#
# 19 TYR QE 30 HIS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 237, 242,
&end
#
# 19 TYR QE 31 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 242,
&end
#
# 20 SER HA 21 THR HN 2.82
&rst
ixpk= 0, nxpk= 0, iat= 250, 259, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 20 SER HA 21 THR QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 265, 266, 267,
&end
#
# 20 SER HA 27 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 373, 374, 375,
&end
#
# 20 SER HB2 21 THR HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 252, 259, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 20 SER HB3 21 THR HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 253, 259, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 20 SER HN 20 SER HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 SER HN 20 SER HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 248, 253, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 20 SER HN 21 THR HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 248, 259, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 21 THR HA 21 THR QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 265, 266, 267,
&end
#
# 21 THR HA 22 PRO HD2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 261, 274, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 21 THR HA 22 PRO HD3 2.89
&rst
ixpk= 0, nxpk= 0, iat= 261, 275, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 21 THR HA 22 PRO QG 4.38
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 277, 278,
&end
#
# 21 THR HB 22 PRO HD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 263, 274, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 21 THR HB 22 PRO HD3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 21 THR HB 23 ASP HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 263, 287, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 21 THR HB 26 LYS HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 263, 346, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 21 THR HB 26 LYS HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 263, 347, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 21 THR HB 27 LEU HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 263, 368, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 21 THR HG1 22 PRO HD2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 21 THR HG1 22 PRO HD3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 269, 275, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 21 THR HG1 23 ASP HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 269, 287, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 THR HN 21 THR HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 21 THR HN 21 THR QG2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 265, 266, 267,
&end
#
# 21 THR HN 22 PRO HD3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 259, 275, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 21 THR HN 27 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 259, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR HN 27 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 373, 374, 375,
&end
#
# 21 THR HN 27 LEU QD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 377, 378, 379,
&end
#
# 21 THR QG2 22 PRO HD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 22 PRO HD3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 23 ASP HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 23 ASP HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 23 ASP HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 24 LYS HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 26 LYS HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 26 LYS HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 26 LYS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 26 LYS QG 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 265, 266, 267,
igr2= 349, 350,
&end
#
# 21 THR QG2 27 LEU HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 27 LEU HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 27 LEU HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 27 LEU HG 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 265, 266, 267,
&end
#
# 21 THR QG2 27 LEU HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 265, 266, 267,
&end
#
# 22 PRO HD2 23 ASP HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 274, 291, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 22 PRO HD2 23 ASP HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 274, 287, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 22 PRO HD3 23 ASP HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 275, 287, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 22 PRO QB 23 ASP HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 280, 281,
&end
#
# 22 PRO QG 23 ASP HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 277, 278,
&end
#
# 22 PRO QG 23 ASP HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 277, 278,
&end
#
# 22 PRO QG 23 ASP HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 277, 278,
&end
#
# 22 PRO QG 23 ASP HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 277, 278,
&end
#
# 23 ASP HB2 26 LYS HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 291, 346, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 23 ASP HB2 26 LYS HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 291, 347, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 23 ASP HB2 26 LYS HD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 291, 352, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 23 ASP HB2 26 LYS HD3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 291, 353, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 23 ASP HB2 26 LYS HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 291, 349, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 23 ASP HB2 26 LYS HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 291, 350, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 23 ASP HB2 26 LYS HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 291, 342, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 23 ASP HB2 26 LYS QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 352, 353,
&end
#
# 23 ASP HB2 26 LYS QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 349, 350,
&end
#
# 23 ASP HB3 26 LYS HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 292, 346, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 23 ASP HB3 26 LYS HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 292, 347, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 23 ASP HB3 26 LYS HD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 292, 352, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 23 ASP HB3 26 LYS HD3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 292, 353, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 23 ASP HB3 26 LYS HG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 292, 349, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 23 ASP HB3 26 LYS HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 292, 350, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 23 ASP HB3 26 LYS HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 292, 342, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 ASP HB3 26 LYS QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 352, 353,
&end
#
# 23 ASP HB3 26 LYS QG 3.85
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 349, 350,
&end
#
# 23 ASP HN 23 ASP HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 23 ASP HN 23 ASP HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 23 ASP HN 26 LYS HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 287, 346, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 23 ASP HN 27 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 287, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HA 24 LYS QD 4.82
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 309, 310,
&end
#
# 24 LYS HA 27 LEU HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 301, 368, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 24 LYS HA 27 LEU HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 301, 369, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 24 LYS HA 27 LEU HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 301, 364, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 24 LYS HA 27 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 377, 378, 379,
&end
#
# 24 LYS HB2 24 LYS QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 309, 310,
&end
#
# 24 LYS HB3 24 LYS QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 309, 310,
&end
#
# 24 LYS HG2 24 LYS QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 312, 313,
&end
#
# 24 LYS HG2 25 TYR HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 306, 321, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 24 LYS HG3 24 LYS QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 312, 313,
&end
#
# 24 LYS HG3 25 TYR HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 307, 321, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 24 LYS HN 24 LYS QG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 306, 307,
&end
#
# 24 LYS HN 25 TYR HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 299, 321, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 24 LYS QD 25 TYR QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 309, 310,
igr2= 329, 338,
&end
#
# 24 LYS QD 25 TYR QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 309, 310,
igr2= 331, 336,
&end
#
# 24 LYS QE 25 TYR QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 312, 313,
igr2= 329, 338,
&end
#
# 24 LYS QE 25 TYR QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 312, 313,
igr2= 331, 336,
&end
#
# 24 LYS QG 25 TYR HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 306, 307,
&end
#
# 25 TYR HA 25 TYR QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 329, 338,
&end
#
# 25 TYR HA 28 GLN HG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 323, 390, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 TYR HA 28 GLN HG3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 323, 391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 TYR HA 28 GLN HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 323, 383, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 25 TYR HA 28 GLN QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 387, 388,
&end
#
# 25 TYR HA 29 ALA HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 323, 400, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 TYR HB2 26 LYS HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 325, 342, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 25 TYR HB3 26 LYS HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 326, 342, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 25 TYR HN 25 TYR HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 25 TYR HN 25 TYR HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 25 TYR HN 25 TYR QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 325, 326,
&end
#
# 25 TYR HN 25 TYR QD 4.01
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 329, 338,
&end
#
# 25 TYR HN 26 LYS HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 321, 342, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 25 TYR HN 27 LEU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 321, 364, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 25 TYR QB 26 LYS HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 325, 326,
&end
#
# 25 TYR QD 26 LYS HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 329, 338,
&end
#
# 25 TYR QD 28 GLN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 329, 338,
igr2= 387, 388,
&end
#
# 26 LYS HA 26 LYS HD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 344, 352, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 26 LYS HA 26 LYS HD3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 344, 353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 26 LYS HA 26 LYS HG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 26 LYS HA 26 LYS HG3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 344, 350, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 26 LYS HA 26 LYS QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 352, 353,
&end
#
# 26 LYS HA 26 LYS QG 3.08
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 349, 350,
&end
#
# 26 LYS HA 29 ALA HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 344, 400, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 26 LYS HA 29 ALA QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 404, 405, 406,
&end
#
# 26 LYS HA 30 HIS HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 344, 410, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 26 LYS HB2 27 LEU HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 346, 364, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 26 LYS HB3 26 LYS QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 352, 353,
&end
#
# 26 LYS HB3 27 LEU HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 347, 364, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 26 LYS HN 26 LYS HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 342, 346, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 26 LYS HN 26 LYS HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 342, 347, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 26 LYS HN 26 LYS HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 26 LYS HN 26 LYS HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 26 LYS HN 26 LYS QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 352, 353,
&end
#
# 26 LYS HN 26 LYS QG 3.31
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 349, 350,
&end
#
# 26 LYS HN 27 LEU HN 3.19
&rst
ixpk= 0, nxpk= 0, iat= 342, 364, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 27 LEU HA 27 LEU HG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 LEU HA 27 LEU QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 373, 374, 375,
&end
#
# 27 LEU HA 27 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 377, 378, 379,
&end
#
# 27 LEU HA 30 HIS HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 366, 414, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 27 LEU HA 30 HIS HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 366, 415, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 27 LEU HA 30 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 LEU HA 30 HIS HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 366, 410, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 27 LEU HA 30 HIS QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 414, 415,
&end
#
# 27 LEU HA 31 LEU HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 366, 427, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 27 LEU HB2 27 LEU QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 373, 374, 375,
&end
#
# 27 LEU HB2 27 LEU QD2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 377, 378, 379,
&end
#
# 27 LEU HB2 28 GLN HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 27 LEU HB2 30 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 368, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LEU HB3 27 LEU QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 373, 374, 375,
&end
#
# 27 LEU HB3 27 LEU QD2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 377, 378, 379,
&end
#
# 27 LEU HB3 28 GLN HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 27 LEU HB3 30 HIS HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 369, 410, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 27 LEU HG 28 GLN HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 371, 385, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 27 LEU HG 28 GLN HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 27 LEU HG 31 LEU HG 4.40
&rst
ixpk= 0, nxpk= 0, iat= 371, 434, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 27 LEU HG 31 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 371, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LEU HG 31 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 436, 437, 438,
&end
#
# 27 LEU HG 31 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 440, 441, 442,
&end
#
# 27 LEU HG 31 LEU QQD 3.61
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 27 LEU HN 27 LEU HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 27 LEU HN 27 LEU HB3 3.11
&rst
ixpk= 0, nxpk= 0, iat= 364, 369, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 27 LEU HN 27 LEU HG 4.74
&rst
ixpk= 0, nxpk= 0, iat= 364, 371, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 27 LEU HN 27 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 373, 374, 375,
&end
#
# 27 LEU HN 27 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 377, 378, 379,
&end
#
# 27 LEU HN 29 ALA QB 5.35
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 404, 405, 406,
&end
#
# 27 LEU QD1 30 HIS HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 373, 374, 375,
&end
#
# 27 LEU QD1 30 HIS HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 373, 374, 375,
&end
#
# 27 LEU QD1 30 HIS HD2 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 373, 374, 375,
&end
#
# 27 LEU QD1 30 HIS HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 373, 374, 375,
&end
#
# 27 LEU QD1 30 HIS QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 373, 374, 375,
igr2= 414, 415,
&end
#
# 27 LEU QD1 31 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 373, 374, 375,
&end
#
# 27 LEU QD1 31 LEU HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 373, 374, 375,
&end
#
# 27 LEU QD2 28 GLN HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 377, 378, 379,
&end
#
# 28 GLN HA 28 GLN HG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 28 GLN HA 28 GLN HG3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 385, 391, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 28 GLN HA 28 GLN QG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 390, 391,
&end
#
# 28 GLN HA 31 LEU HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 385, 431, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 28 GLN HA 31 LEU HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 385, 432, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 28 GLN HA 31 LEU HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 385, 427, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 GLN HA 31 LEU QQD 3.38
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 28 GLN HA 32 LYS HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 385, 446, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 28 GLN HB2 29 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 387, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLN HB3 29 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 GLN HG2 29 ALA HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 390, 400, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 28 GLN HG3 29 ALA HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 391, 400, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 28 GLN HN 28 GLN HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 28 GLN HN 28 GLN HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 28 GLN HN 28 GLN QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 387, 388,
&end
#
# 28 GLN HN 28 GLN QG 3.54
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 390, 391,
&end
#
# 28 GLN HN 29 ALA HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 28 GLN HN 29 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 404, 405, 406,
&end
#
# 28 GLN HN 31 LEU QQD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 28 GLN QB 29 ALA HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 387, 388,
&end
#
# 28 GLN QB 29 ALA HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 387, 388,
&end
#
# 28 GLN QB 29 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 387, 388,
igr2= 404, 405, 406,
&end
#
# 28 GLN QB 31 LEU QQD 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 387, 388,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 28 GLN QG 31 LEU QQD 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 390, 391,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 29 ALA HA 31 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 402, 427, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 29 ALA HA 32 LYS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 402, 446, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 29 ALA HA 32 LYS QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 450, 451,
&end
#
# 29 ALA HA 32 LYS QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 456, 457,
&end
#
# 29 ALA HA 32 LYS QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 459, 460,
&end
#
# 29 ALA HA 32 LYS QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 453, 454,
&end
#
# 29 ALA HN 29 ALA QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 404, 405, 406,
&end
#
# 29 ALA HN 30 HIS HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 400, 410, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 29 ALA QB 30 HIS HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 404, 405, 406,
&end
#
# 29 ALA QB 30 HIS HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 404, 405, 406,
&end
#
# 29 ALA QB 30 HIS QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 404, 405, 406,
igr2= 414, 415,
&end
#
# 29 ALA QB 31 LEU HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 404, 405, 406,
&end
#
# 30 HIS HA 32 LYS HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 412, 446, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 HIS HA 33 VAL HB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 412, 472, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 30 HIS HA 33 VAL HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 412, 468, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 30 HIS HA 33 VAL QG1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 474, 475, 476,
&end
#
# 30 HIS HA 33 VAL QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 478, 479, 480,
&end
#
# 30 HIS HB2 31 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 414, 427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 HIS HB3 31 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 HIS HD2 31 LEU HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 30 HIS HD2 31 LEU HG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 423, 434, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 30 HIS HD2 31 LEU HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 30 HIS HD2 31 LEU QQD 3.80
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 30 HIS HD2 34 HIS HD2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 423, 497, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 30 HIS HE1 33 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 474, 475, 476,
&end
#
# 30 HIS HE1 33 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 478, 479, 480,
&end
#
# 30 HIS HE1 33 VAL QQG 3.54
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 474, 475, 476, 478, 479, 480,
&end
#
# 30 HIS HN 30 HIS HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 30 HIS HN 30 HIS HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 30 HIS HN 30 HIS QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 414, 415,
&end
#
# 30 HIS HN 31 LEU HB2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 410, 431, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 30 HIS HN 31 LEU HG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 410, 434, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 HIS HN 32 LYS HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 410, 446, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 30 HIS QB 30 HIS HD2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 414, 415,
&end
#
# 30 HIS QB 31 LEU HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 414, 415,
&end
#
# 31 LEU HA 31 LEU HG 3.91
&rst
ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 31 LEU HA 31 LEU QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 436, 437, 438,
&end
#
# 31 LEU HA 31 LEU QD2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 440, 441, 442,
&end
#
# 31 LEU HA 31 LEU QQD 3.08
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 31 LEU HA 33 VAL HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 429, 468, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 31 LEU HA 34 HIS HB2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 31 LEU HA 34 HIS HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 429, 497, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 31 LEU HA 34 HIS HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 429, 484, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 31 LEU HB2 31 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 436, 437, 438,
&end
#
# 31 LEU HB2 31 LEU QD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 440, 441, 442,
&end
#
# 31 LEU HB2 31 LEU QQD 3.11
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 31 LEU HB2 32 LYS HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 31 LEU HB2 34 HIS HD2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 431, 497, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 31 LEU HB3 31 LEU QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 436, 437, 438,
&end
#
# 31 LEU HB3 31 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 440, 441, 442,
&end
#
# 31 LEU HB3 32 LYS HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 31 LEU HB3 34 HIS HD2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 432, 497, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 31 LEU HG 32 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 LEU HN 31 LEU HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 31 LEU HN 31 LEU HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 LEU HN 31 LEU HG 3.20
&rst
ixpk= 0, nxpk= 0, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 31 LEU HN 31 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 436, 437, 438,
&end
#
# 31 LEU HN 31 LEU QD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 440, 441, 442,
&end
#
# 31 LEU HN 31 LEU QQD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 31 LEU HN 32 LYS HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 427, 446, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 31 LEU HN 32 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 453, 454,
&end
#
# 31 LEU HN 33 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 474, 475, 476, 478, 479, 480,
&end
#
# 31 LEU HN 34 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 427, 497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU QQD 32 LYS HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 436, 437, 438, 440, 441, 442,
&end
#
# 31 LEU QQD 34 HIS HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 436, 437, 438, 440, 441, 442,
&end
#
# 31 LEU QQD 34 HIS HD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 436, 437, 438, 440, 441, 442,
&end
#
# 32 LYS HA 32 LYS HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 LYS HA 32 LYS HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 448, 454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 LYS HA 32 LYS QD 4.27
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 456, 457,
&end
#
# 32 LYS HA 32 LYS QG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 453, 454,
&end
#
# 32 LYS HA 34 HIS HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 448, 484, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 32 LYS HA 35 THR HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 448, 501, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 32 LYS HA 35 THR QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 507, 508, 509,
&end
#
# 32 LYS HB2 33 VAL HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 450, 468, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 LYS HB3 33 VAL HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 451, 468, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 LYS HN 32 LYS HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 446, 450, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 32 LYS HN 32 LYS HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 32 LYS HN 32 LYS HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 446, 453, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 32 LYS HN 32 LYS HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 446, 454, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 32 LYS HN 32 LYS QB 2.89
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 450, 451,
&end
#
# 32 LYS HN 32 LYS QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 456, 457,
&end
#
# 32 LYS HN 32 LYS QG 3.19
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 453, 454,
&end
#
# 32 LYS HN 33 VAL HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 446, 468, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 32 LYS HN 33 VAL QQG 4.87
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 474, 475, 476, 478, 479, 480,
&end
#
# 32 LYS QB 33 VAL HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 450, 451,
&end
#
# 33 VAL HA 33 VAL QG1 3.51
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 474, 475, 476,
&end
#
# 33 VAL HA 33 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 478, 479, 480,
&end
#
# 33 VAL HA 33 VAL QQG 3.00
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 474, 475, 476, 478, 479, 480,
&end
#
# 33 VAL HA 36 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 519, 520, 521,
&end
#
# 33 VAL HB 34 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 472, 497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 VAL HB 34 HIS HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 472, 484, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 33 VAL HN 33 VAL HB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 468, 472, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 33 VAL HN 33 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 474, 475, 476,
&end
#
# 33 VAL HN 33 VAL QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 478, 479, 480,
&end
#
# 33 VAL HN 33 VAL QQG 3.09
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 474, 475, 476, 478, 479, 480,
&end
#
# 33 VAL HN 34 HIS HN 3.21
&rst
ixpk= 0, nxpk= 0, iat= 468, 484, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 33 VAL QG1 34 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 474, 475, 476,
&end
#
# 33 VAL QG1 34 HIS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 474, 475, 476,
&end
#
# 33 VAL QG2 34 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 478, 479, 480,
&end
#
# 33 VAL QG2 34 HIS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 478, 479, 480,
&end
#
# 33 VAL QQG 34 HIS HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 33 VAL QQG 34 HIS HD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 33 VAL QQG 34 HIS HE1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 33 VAL QQG 34 HIS HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 474, 475, 476, 478, 479, 480,
&end
#
# 34 HIS HA 34 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 486, 497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 HIS HB2 34 HIS HD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 488, 497, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 34 HIS HB2 35 THR HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 488, 501, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 34 HIS HB2 35 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 507, 508, 509,
&end
#
# 34 HIS HB3 35 THR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 34 HIS HN 34 HIS HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 484, 488, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 34 HIS HN 34 HIS HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 34 HIS HN 34 HIS HD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 484, 497, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 34 HIS HN 35 THR HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 34 HIS HN 35 THR QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 507, 508, 509,
&end
#
# 34 HIS HN 36 ALA HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 484, 515, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 35 THR HA 35 THR QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 507, 508, 509,
&end
#
# 35 THR HB 36 ALA HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 505, 515, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 35 THR HN 35 THR HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 35 THR HN 35 THR QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 507, 508, 509,
&end
#
# 35 THR HN 36 ALA HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 501, 515, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 35 THR QG2 36 ALA HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 507, 508, 509,
&end
#
# 36 ALA HA 37 LEU HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 517, 525, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 36 ALA HN 36 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 519, 520, 521,
&end
#
# 36 ALA QB 37 LEU HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 519, 520, 521,
&end
#
# 37 LEU HA 37 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 534, 535, 536, 538, 539, 540,
&end
#
# 37 LEU HN 37 LEU HG 4.77
&rst
ixpk= 0, nxpk= 0, iat= 525, 532, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 37 LEU HN 37 LEU QB 3.59
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 529, 530,
&end
#
# 37 LEU HN 38 ASP HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 525, 544, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 37 LEU QB 37 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 529, 530,
igr2= 534, 535, 536,
&end
#
# 37 LEU QB 37 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 529, 530,
igr2= 538, 539, 540,
&end
#
# 37 LEU QB 38 ASP HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 529, 530,
&end
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