NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
538378 |
2lfw   |
17784 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 3 LEU HA 3 LEU HG 4.24
&rst
ixpk= 0, nxpk= 0, iat= 34, 39, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 3 LEU HA 3 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 41, 42, 43,
&end
#
# 3 LEU HA 3 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 45, 46, 47,
&end
#
# 3 LEU HA 6 GLN H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 34, 75, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 3 LEU HB2 3 LEU QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 41, 42, 43,
&end
#
# 3 LEU HB2 3 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 45, 46, 47,
&end
#
# 3 LEU HB3 3 LEU QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 41, 42, 43,
&end
#
# 3 LEU HB3 3 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 45, 46, 47,
&end
#
# 3 LEU QD1 46 PHE QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 41, 42, 43,
igr2= 709, 717,
&end
#
# 3 LEU QD1 4 GLY H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 41, 42, 43,
&end
#
# 3 LEU QD2 46 PHE QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 45, 46, 47,
igr2= 709, 717,
&end
#
# 3 LEU QD2 4 GLY H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 45, 46, 47,
&end
#
# 3 LEU QQD 46 PHE H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 41, 42, 43, 45, 46, 47,
&end
#
# 4 GLY H 5 GLN H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 51, 58, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 4 GLY H 6 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 GLY H 7 LEU HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 51, 96, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 4 GLY HA2 7 LEU HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 53, 96, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 4 GLY HA3 7 LEU HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 54, 96, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 5 GLN H 5 GLN HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 58, 62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 5 GLN H 5 GLN HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 58, 63, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 5 GLN H 6 GLN H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 58, 75, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 5 GLN HA 8 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 115, 116, 117,
&end
#
# 6 GLN H 6 GLN HG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 75, 82, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 6 GLN H 6 GLN HG3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 75, 83, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 6 GLN H 8 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 115, 116, 117,
&end
#
# 6 GLN H 7 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 75, 92, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN HA 6 GLN HG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 77, 82, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 6 GLN HA 6 GLN HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 77, 83, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 6 GLN HB2 7 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 79, 92, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 6 GLN HB3 7 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 80, 92, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 6 GLN HG2 7 LEU H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 82, 92, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 6 GLN HG3 7 LEU H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 83, 92, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 7 LEU H 56 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 876, 877, 878,
&end
#
# 7 LEU H 7 LEU HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 92, 96, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 7 LEU H 7 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 101, 102, 103,
&end
#
# 7 LEU H 7 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 105, 106, 107,
&end
#
# 7 LEU H 8 ALA H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 92, 111, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 7 LEU H 8 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 115, 116, 117,
&end
#
# 7 LEU HA 56 LEU HG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 94, 870, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 7 LEU HA 56 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 876, 877, 878,
&end
#
# 7 LEU HA 56 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 872, 873, 874,
&end
#
# 7 LEU HA 10 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 94, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 LEU HB3 8 ALA HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 97, 113, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 7 LEU HB3 8 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 97, 111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 LEU HB2 8 ALA H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 96, 111, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 ALA H 8 ALA QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 115, 116, 117,
&end
#
# 8 ALA H 9 PRO HD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 111, 122, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 8 ALA H 9 PRO HD3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 111, 123, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 8 ALA HA 11 LEU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 113, 152, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 8 ALA HA 11 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 161, 162, 163,
&end
#
# 8 ALA HA 11 LEU QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 165, 166, 167,
&end
#
# 8 ALA QB 11 LEU H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 115, 116, 117,
&end
#
# 8 ALA QB 9 PRO HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 115, 116, 117,
&end
#
# 8 ALA QB 9 PRO HD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 115, 116, 117,
&end
#
# 8 ALA QB 9 PRO HD3 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 115, 116, 117,
&end
#
# 8 ALA QB 9 PRO HG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 115, 116, 117,
&end
#
# 9 PRO HB2 10 HIS H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 128, 135, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 9 PRO HB3 10 HIS H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 129, 135, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 9 PRO HG2 10 HIS H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 125, 135, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 PRO HG2 10 HIS HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 125, 137, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 9 PRO HG3 10 HIS H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 126, 135, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 10 HIS H 11 LEU H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 135, 152, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 10 HIS HB2 56 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 139, 870, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 10 HIS HB3 56 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 140, 870, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 10 HIS HD2 56 LEU HG 4.04
&rst
ixpk= 0, nxpk= 0, iat= 148, 870, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 10 HIS HD2 56 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 876, 877, 878,
&end
#
# 10 HIS HE1 53 ARG QG 4.09
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 820, 821,
&end
#
# 11 LEU H 11 LEU HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 11 LEU H 11 LEU HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 11 LEU H 11 LEU HG 5.01
&rst
ixpk= 0, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 11 LEU H 11 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 161, 162, 163,
&end
#
# 11 LEU H 11 LEU QD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 165, 166, 167,
&end
#
# 11 LEU H 12 PRO HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 11 LEU H 12 PRO HD3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 152, 173, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 11 LEU HA 13 PHE H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 154, 185, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 11 LEU HA 14 LEU H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 154, 205, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 11 LEU HB2 12 PRO HD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 156, 172, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 11 LEU HB2 12 PRO HD3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 156, 173, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 11 LEU HB3 12 PRO HD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 157, 172, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 11 LEU HB3 12 PRO HD3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 157, 173, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 12 PRO QB 16 ARG QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 178, 179,
igr2= 252, 253,
&end
#
# 13 PHE H 13 PHE QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 193, 201,
&end
#
# 13 PHE H 14 LEU H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 185, 205, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 13 PHE H 15 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 185, 224, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 13 PHE H 16 ARG QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 252, 253,
&end
#
# 13 PHE HA 13 PHE QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 193, 201,
&end
#
# 13 PHE HA 15 ARG H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 187, 224, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 13 PHE HA 16 ARG H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 187, 248, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 13 PHE HB2 14 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 189, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 PHE HB3 14 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 190, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 PHE HZ 53 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 820, 821,
&end
#
# 13 PHE QD 14 LEU H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 193, 201,
&end
#
# 13 PHE QD 16 ARG H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 193, 201,
&end
#
# 13 PHE QD 16 ARG QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 193, 201,
igr2= 252, 253,
&end
#
# 13 PHE QD 53 ARG QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 193, 201,
igr2= 820, 821,
&end
#
# 13 PHE QE 53 ARG QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 195, 199,
igr2= 820, 821,
&end
#
# 10 HIS HA 13 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 193, 201,
&end
#
# 10 HIS HA 13 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 195, 199,
&end
#
# 14 LEU H 14 LEU HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 14 LEU H 14 LEU HG 4.88
&rst
ixpk= 0, nxpk= 0, iat= 205, 212, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 14 LEU H 14 LEU QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 214, 215, 216,
&end
#
# 14 LEU H 14 LEU QD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 218, 219, 220,
&end
#
# 14 LEU H 15 ARG H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 205, 224, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 14 LEU HA 14 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 214, 215, 216,
&end
#
# 14 LEU HA 14 LEU QD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 218, 219, 220,
&end
#
# 14 LEU HA 18 GLY H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 207, 293, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 14 LEU HB3 14 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 214, 215, 216,
&end
#
# 14 LEU HB3 14 LEU QD2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 218, 219, 220,
&end
#
# 14 LEU HB3 15 ARG H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 210, 224, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 14 LEU HB3 17 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 282, 287,
&end
#
# 14 LEU HB2 15 ARG H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 209, 224, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 14 LEU QD1 15 ARG H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 214, 215, 216,
&end
#
# 14 LEU QD1 60 PHE H 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 214, 215, 216,
&end
#
# 14 LEU QD1 60 PHE QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 214, 215, 216,
igr2= 952, 960,
&end
#
# 14 LEU QD1 60 PHE QE 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 214, 215, 216,
igr2= 954, 958,
&end
#
# 14 LEU QD2 15 ARG H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 218, 219, 220,
&end
#
# 14 LEU QD2 60 PHE H 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 218, 219, 220,
&end
#
# 14 LEU QD2 60 PHE QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 218, 219, 220,
igr2= 952, 960,
&end
#
# 14 LEU QD2 60 PHE QE 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 218, 219, 220,
igr2= 954, 958,
&end
#
# 15 ARG H 15 ARG QD 5.36
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 234, 235,
&end
#
# 15 ARG H 16 ARG H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 224, 248, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 15 ARG QG 16 ARG H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 231, 232,
&end
#
# 16 ARG H 16 ARG QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 258, 259,
&end
#
# 16 ARG H 16 ARG QG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 255, 256,
&end
#
# 16 ARG H 17 TYR H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 248, 272, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 16 ARG QG 17 TYR H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 255, 256,
&end
#
# 17 TYR H 18 GLY H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 272, 293, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 LEU HA 17 TYR QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 282, 287,
&end
#
# 17 TYR QE 18 GLY H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 282, 287,
&end
#
# 18 GLY H 19 ARG H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 293, 300, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 14 LEU HB3 18 GLY H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 210, 293, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 18 GLY HA2 20 ALA H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 295, 324, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 18 GLY HA3 20 ALA H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 296, 324, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 19 ARG H 19 ARG QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 304, 305,
&end
#
# 19 ARG H 19 ARG QG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 307, 308,
&end
#
# 19 ARG H 20 ALA H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 300, 324, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 19 ARG H 20 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 328, 329, 330,
&end
#
# 19 ARG HA 20 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 328, 329, 330,
&end
#
# 19 ARG HA 22 THR QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 359, 360, 361,
&end
#
# 20 ALA H 20 ALA QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 328, 329, 330,
&end
#
# 20 ALA H 21 LEU H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 20 ALA QB 21 LEU HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 328, 329, 330,
&end
#
# 20 ALA QB 22 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 328, 329, 330,
igr2= 359, 360, 361,
&end
#
# 20 ALA QB 21 LEU H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 328, 329, 330,
&end
#
# 17 TYR HA 20 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 328, 329, 330,
&end
#
# 21 LEU H 21 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 343, 344, 345,
&end
#
# 21 LEU H 21 LEU QD2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 347, 348, 349,
&end
#
# 21 LEU H 22 THR H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 334, 353, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 21 LEU H 23 GLY H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 334, 367, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 21 LEU HA 21 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 343, 344, 345,
&end
#
# 21 LEU HA 21 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 347, 348, 349,
&end
#
# 21 LEU HA 22 THR QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 359, 360, 361,
&end
#
# 21 LEU HB2 22 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 359, 360, 361,
&end
#
# 21 LEU HB2 22 THR H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 338, 353, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 21 LEU HB3 22 THR H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 339, 353, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 21 LEU HB3 22 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 359, 360, 361,
&end
#
# 21 LEU HG 64 TRP HD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 341,1015, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 21 LEU HG 64 TRP HE1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 341,1017, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 21 LEU QD1 60 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 343, 344, 345,
igr2= 954, 958,
&end
#
# 21 LEU QD1 60 PHE QD 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
igr1= 343, 344, 345,
igr2= 952, 960,
&end
#
# 21 LEU QD1 100 GLN HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 343, 344, 345,
&end
#
# 21 LEU QD1 22 THR QG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 343, 344, 345,
igr2= 359, 360, 361,
&end
#
# 21 LEU QD1 64 TRP HE1 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 343, 344, 345,
&end
#
# 21 LEU QD2 100 GLN HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 347, 348, 349,
&end
#
# 21 LEU QD2 22 THR QG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 347, 348, 349,
igr2= 359, 360, 361,
&end
#
# 21 LEU QD2 60 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 347, 348, 349,
igr2= 954, 958,
&end
#
# 21 LEU QD2 60 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 347, 348, 349,
igr2= 952, 960,
&end
#
# 21 LEU QD2 64 TRP HE1 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 347, 348, 349,
&end
#
# 22 THR H 22 THR QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 359, 360, 361,
&end
#
# 22 THR H 23 GLY H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 353, 367, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 22 THR H 24 SER H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 353, 374, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 22 THR HA 22 THR QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 359, 360, 361,
&end
#
# 22 THR HA 76 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 355,1163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 THR HB 27 GLN QB 3.95
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 420, 421,
&end
#
# 22 THR QG2 23 GLY H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 359, 360, 361,
&end
#
# 22 THR QG2 24 SER H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 359, 360, 361,
&end
#
# 22 THR QG2 27 GLN QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 359, 360, 361,
igr2= 420, 421,
&end
#
# 22 THR QG2 28 GLY H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 359, 360, 361,
&end
#
# 22 THR QG2 31 TYR QD 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 359, 360, 361,
igr2= 482, 491,
&end
#
# 22 THR QG2 31 TYR QE 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 359, 360, 361,
igr2= 484, 489,
&end
#
# 22 THR QG2 60 PHE QE 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 359, 360, 361,
igr2= 954, 958,
&end
#
# 22 THR QG2 64 TRP HE1 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 359, 360, 361,
&end
#
# 23 GLY H 24 SER H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 24 SER H 27 GLN HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 374, 420, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 24 SER H 28 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 374, 433, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 SER H 27 GLN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 420, 421,
&end
#
# 24 SER HB2 26 ASN H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 378, 402, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 24 SER HB2 27 GLN QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 420, 421,
&end
#
# 24 SER HB3 26 ASN H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 379, 402, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 24 SER HB3 27 GLN QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 420, 421,
&end
#
# 25 GLN H 25 GLN HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 385, 392, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 25 GLN H 25 GLN HG3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 385, 393, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 25 GLN HA 25 GLN HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 387, 392, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 25 GLN HA 25 GLN HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 387, 393, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 25 GLN HA 25 GLN QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 389, 390,
&end
#
# 26 ASN H 26 ASN HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 26 ASN H 26 ASN HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 402, 407, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 26 ASN H 27 GLN H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 402, 416, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 26 ASN HA 28 GLY H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 404, 433, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 26 ASN HB2 27 GLN H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 406, 416, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 ASN HB3 27 GLN H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 407, 416, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 27 GLN H 27 GLN HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 27 GLN H 27 GLN HG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 27 GLN H 27 GLN HG3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 416, 424, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 27 GLN H 27 GLN QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 420, 421,
&end
#
# 27 GLN H 28 GLY H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 416, 433, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 27 GLN H 29 ASP H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 416, 440, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 27 GLN HA 27 GLN HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 418, 423, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 27 GLN HA 27 GLN HG3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 418, 424, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 27 GLN HA 29 ASP H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 418, 440, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 27 GLN HA 30 LYS H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 418, 452, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 27 GLN HA 30 LYS HD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 418, 462, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 27 GLN HA 30 LYS HD3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 418, 463, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 27 GLN HA 30 LYS QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 456, 457,
&end
#
# 27 GLN HA 31 TYR QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 484, 489,
&end
#
# 27 GLN HB2 28 GLY H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 420, 433, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 27 GLN HB3 31 TYR QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 482, 491,
&end
#
# 27 GLN HB3 31 TYR QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 484, 489,
&end
#
# 27 GLN QB 28 GLY H 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 420, 421,
&end
#
# 27 GLN QB 29 ASP H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 420, 421,
&end
#
# 27 GLN QB 30 LYS HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 420, 421,
&end
#
# 27 GLN QB 31 TYR QD 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 420, 421,
igr2= 482, 491,
&end
#
# 27 GLN QB 31 TYR QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 420, 421,
igr2= 484, 489,
&end
#
# 27 GLN QG 27 GLN HE21 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 423, 424,
&end
#
# 27 GLN QG 27 GLN HE22 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 423, 424,
&end
#
# 27 GLN QG 28 GLY H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 423, 424,
&end
#
# 28 GLY H 29 ASP H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 433, 440, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 28 GLY H 30 LYS H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 433, 452, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 29 ASP H 29 ASP HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 440, 444, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 ASP H 29 ASP HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 440, 445, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 ASP H 30 LYS H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 440, 452, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 29 ASP H 32 VAL H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 440, 495, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 30 LYS H 30 LYS HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 30 LYS H 30 LYS HG3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 452, 460, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 30 LYS H 30 LYS QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 456, 457,
&end
#
# 30 LYS H 32 VAL H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 452, 495, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 30 LYS HA 30 LYS HD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 454, 462, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 30 LYS HA 30 LYS HD3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 454, 463, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 30 LYS HA 33 ARG H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 454, 511, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 30 LYS HA 33 ARG HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 454, 516, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 LYS HD2 31 TYR H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 462, 474, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 30 LYS HD2 31 TYR QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 482, 491,
&end
#
# 30 LYS HD2 31 TYR QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 484, 489,
&end
#
# 30 LYS HD3 31 TYR H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 463, 474, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 30 LYS HD3 34 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 539, 540, 541,
&end
#
# 30 LYS HE3 31 TYR H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 30 LYS HE3 31 TYR HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 466, 476, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 30 LYS HE3 31 TYR QD 5.13
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 482, 491,
&end
#
# 30 LYS HE3 31 TYR QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 484, 489,
&end
#
# 30 LYS HE2 31 TYR H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 465, 474, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 30 LYS HE2 31 TYR QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 484, 489,
&end
#
# 30 LYS HG2 30 LYS HE2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 459, 465, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 30 LYS HG3 30 LYS HE2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 460, 465, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 30 LYS QB 30 LYS HD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 456, 457,
&end
#
# 30 LYS QB 30 LYS HD3 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 456, 457,
&end
#
# 30 LYS QB 30 LYS HE2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 456, 457,
&end
#
# 30 LYS QB 31 TYR H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 456, 457,
&end
#
# 30 LYS QB 34 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 456, 457,
igr2= 539, 540, 541,
&end
#
# 31 TYR H 31 TYR HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 31 TYR H 31 TYR HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 474, 479, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 31 TYR H 31 TYR QD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 482, 491,
&end
#
# 31 TYR H 32 VAL H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 474, 495, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 TYR H 32 VAL HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 474, 497, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 31 TYR HA 31 TYR QD 3.07
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 482, 491,
&end
#
# 31 TYR HA 34 ALA H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 476, 535, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 31 TYR HA 34 ALA QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 539, 540, 541,
&end
#
# 31 TYR HA 63 ILE QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 994, 995, 996,
&end
#
# 31 TYR HB2 32 VAL H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 478, 495, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 31 TYR HB2 60 PHE QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 954, 958,
&end
#
# 31 TYR HB2 63 ILE QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 994, 995, 996,
&end
#
# 31 TYR HB3 34 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 539, 540, 541,
&end
#
# 31 TYR HB3 60 PHE QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 954, 958,
&end
#
# 31 TYR HB3 63 ILE QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 994, 995, 996,
&end
#
# 31 TYR QD 34 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 482, 491,
igr2= 539, 540, 541,
&end
#
# 31 TYR QD 63 ILE QG2 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 482, 491,
igr2= 994, 995, 996,
&end
#
# 31 TYR QD 64 TRP HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 482, 491,
&end
#
# 31 TYR QD 64 TRP HD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 482, 491,
&end
#
# 31 TYR QD 67 ALA QB 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 482, 491,
igr2=1056,1057,1058,
&end
#
# 31 TYR QE 34 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 484, 489,
igr2= 539, 540, 541,
&end
#
# 31 TYR QE 63 ILE QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 484, 489,
igr2= 994, 995, 996,
&end
#
# 31 TYR QE 64 TRP HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 484, 489,
&end
#
# 31 TYR QE 64 TRP HE1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 484, 489,
&end
#
# 31 TYR QE 67 ALA QB 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 484, 489,
igr2=1056,1057,1058,
&end
#
# 32 VAL H 32 VAL HB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 495, 499, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 32 VAL H 60 PHE QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 952, 960,
&end
#
# 32 VAL H 60 PHE QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 954, 958,
&end
#
# 32 VAL HA 32 VAL QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 501, 502, 503,
&end
#
# 32 VAL HA 32 VAL QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 505, 506, 507,
&end
#
# 32 VAL HA 35 THR H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 497, 545, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 32 VAL HA 60 PHE QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 952, 960,
&end
#
# 32 VAL HA 60 PHE QE 4.47
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 954, 958,
&end
#
# 32 VAL HB 33 ARG H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 499, 511, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 32 VAL QG1 35 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 501, 502, 503,
&end
#
# 32 VAL QG1 35 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 501, 502, 503,
igr2= 551, 552, 553,
&end
#
# 32 VAL QG2 35 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 505, 506, 507,
&end
#
# 32 VAL QG2 35 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 505, 506, 507,
igr2= 551, 552, 553,
&end
#
# 33 ARG H 33 ARG HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 33 ARG H 33 ARG HB3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 511, 516, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 33 ARG H 33 ARG HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 511, 519, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 33 ARG H 33 ARG HG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 511, 518, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 33 ARG H 33 ARG QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 521, 522,
&end
#
# 33 ARG H 34 ALA H 3.80
&rst
ixpk= 0, nxpk= 0, iat= 511, 535, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 33 ARG H 34 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 539, 540, 541,
&end
#
# 33 ARG HA 33 ARG QD 4.51
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 521, 522,
&end
#
# 33 ARG HB2 33 ARG QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 521, 522,
&end
#
# 33 ARG HB3 34 ALA H 3.63
&rst
ixpk= 0, nxpk= 0, iat= 516, 535, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 33 ARG HB3 34 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 539, 540, 541,
&end
#
# 33 ARG HG3 34 ALA H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 519, 535, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 33 ARG HG2 34 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 518, 535, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 33 ARG QD 34 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 521, 522,
&end
#
# 34 ALA H 34 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 539, 540, 541,
&end
#
# 34 ALA H 63 ILE QG2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 994, 995, 996,
&end
#
# 34 ALA HA 37 GLU H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 537, 578, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 34 ALA HA 37 GLU HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 537, 582, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 34 ALA HA 37 GLU HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 537, 583, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 34 ALA QB 35 THR H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 539, 540, 541,
&end
#
# 34 ALA QB 63 ILE HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 539, 540, 541,
&end
#
# 34 ALA QB 63 ILE QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 539, 540, 541,
igr2= 994, 995, 996,
&end
#
# 35 THR H 35 THR HB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 35 THR H 35 THR QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 551, 552, 553,
&end
#
# 35 THR H 63 ILE HG13 5.06
&rst
ixpk= 0, nxpk= 0, iat= 545, 999, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 35 THR H 63 ILE QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1001,1002,1003,
&end
#
# 35 THR HA 35 THR QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 551, 552, 553,
&end
#
# 35 THR HA 38 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 597, 598, 599,
&end
#
# 35 THR HA 39 ILE QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 616, 617, 618,
&end
#
# 35 THR HA 63 ILE HG12 3.89
&rst
ixpk= 0, nxpk= 0, iat= 547, 998, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 35 THR HA 63 ILE HG13 3.88
&rst
ixpk= 0, nxpk= 0, iat= 547, 999, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 35 THR HB 36 LEU H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 549, 559, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 35 THR HB 36 LEU HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= 549, 561, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 35 THR QG2 36 LEU H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 37 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 38 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 551, 552, 553,
igr2= 597, 598, 599,
&end
#
# 35 THR QG2 39 ILE H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 39 ILE QD1 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 551, 552, 553,
igr2= 616, 617, 618,
&end
#
# 35 THR QG2 59 MET H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 59 MET HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 59 MET HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 59 MET HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 59 MET HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 59 MET HG3 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 59 MET QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 551, 552, 553,
igr2= 938, 939, 940,
&end
#
# 35 THR QG2 60 PHE H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 60 PHE HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 60 PHE HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 60 PHE QD 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 551, 552, 553,
igr2= 952, 960,
&end
#
# 35 THR QG2 63 ILE H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 63 ILE HG12 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 63 ILE HG13 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 551, 552, 553,
&end
#
# 35 THR QG2 63 ILE QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 551, 552, 553,
igr2=1001,1002,1003,
&end
#
# 36 LEU H 36 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 568, 569, 570,
&end
#
# 36 LEU H 36 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 572, 573, 574,
&end
#
# 36 LEU H 37 GLU H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 559, 578, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 36 LEU HA 39 ILE QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 616, 617, 618,
&end
#
# 36 LEU HA 40 VAL H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 561, 622, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 36 LEU QB 36 LEU QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 563, 564,
igr2= 568, 569, 570,
&end
#
# 36 LEU QB 36 LEU QD2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 563, 564,
igr2= 572, 573, 574,
&end
#
# 36 LEU QD1 37 GLU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 568, 569, 570,
&end
#
# 36 LEU QD1 37 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 568, 569, 570,
&end
#
# 36 LEU QD2 37 GLU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 572, 573, 574,
&end
#
# 36 LEU QD2 37 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 572, 573, 574,
&end
#
# 37 GLU H 37 GLU HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 37 GLU H 38 ALA H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 578, 593, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 37 GLU H 38 ALA QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 597, 598, 599,
&end
#
# 37 GLU H 39 ILE H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 578, 603, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 GLU H 40 VAL H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 578, 622, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 37 GLU HA 37 GLU HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 37 GLU HA 37 GLU HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 580, 586, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 37 GLU HA 38 ALA HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 580, 595, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 37 GLU HA 40 VAL H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 580, 622, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 37 GLU HA 40 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 628, 629, 630,
&end
#
# 37 GLU HA 40 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 632, 633, 634,
&end
#
# 37 GLU HB2 38 ALA H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 582, 593, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 37 GLU HB3 38 ALA H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 583, 593, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 37 GLU HB3 38 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 597, 598, 599,
&end
#
# 37 GLU HG2 40 VAL QG1 6.04
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 628, 629, 630,
&end
#
# 37 GLU HG2 40 VAL QG2 6.04
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 632, 633, 634,
&end
#
# 38 ALA H 38 ALA QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 597, 598, 599,
&end
#
# 38 ALA H 39 ILE H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 593, 603, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 38 ALA H 39 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 616, 617, 618,
&end
#
# 38 ALA H 40 VAL H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 593, 622, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 38 ALA HA 40 VAL H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 595, 622, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 38 ALA HA 63 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1001,1002,1003,
&end
#
# 38 ALA QB 39 ILE H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 597, 598, 599,
&end
#
# 38 ALA QB 39 ILE QD1 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 597, 598, 599,
igr2= 616, 617, 618,
&end
#
# 38 ALA QB 39 ILE QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 597, 598, 599,
igr2= 609, 610, 611,
&end
#
# 38 ALA QB 59 MET QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 597, 598, 599,
igr2= 938, 939, 940,
&end
#
# 38 ALA QB 63 ILE QD1 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 597, 598, 599,
igr2=1001,1002,1003,
&end
#
# 39 ILE H 39 ILE HB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 603, 607, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 39 ILE H 39 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 616, 617, 618,
&end
#
# 39 ILE H 39 ILE QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 609, 610, 611,
&end
#
# 39 ILE H 40 VAL H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 603, 622, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 39 ILE HA 39 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 616, 617, 618,
&end
#
# 39 ILE HA 39 ILE QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 613, 614,
&end
#
# 39 ILE HA 39 ILE QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 609, 610, 611,
&end
#
# 39 ILE HA 42 ALA H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 605, 648, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 39 ILE HB 39 ILE QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 616, 617, 618,
&end
#
# 39 ILE HB 40 VAL H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 607, 622, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 39 ILE QD1 40 VAL H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 616, 617, 618,
&end
#
# 39 ILE QD1 42 ALA QB 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 616, 617, 618,
igr2= 652, 653, 654,
&end
#
# 39 ILE QD1 46 PHE QD 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 616, 617, 618,
igr2= 709, 717,
&end
#
# 39 ILE QD1 46 PHE QE 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 616, 617, 618,
igr2= 711, 715,
&end
#
# 39 ILE QD1 59 MET H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 616, 617, 618,
&end
#
# 39 ILE QD1 59 MET HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 616, 617, 618,
&end
#
# 39 ILE QD1 59 MET HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 616, 617, 618,
&end
#
# 39 ILE QD1 59 MET QE 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 616, 617, 618,
igr2= 938, 939, 940,
&end
#
# 39 ILE QG1 59 MET QE 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 613, 614,
igr2= 938, 939, 940,
&end
#
# 39 ILE QG2 39 ILE QG1 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 609, 610, 611,
igr2= 613, 614,
&end
#
# 39 ILE QG2 40 VAL H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 609, 610, 611,
&end
#
# 39 ILE QG2 40 VAL HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 609, 610, 611,
&end
#
# 39 ILE QG2 42 ALA H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 609, 610, 611,
&end
#
# 39 ILE QG2 42 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 609, 610, 611,
igr2= 652, 653, 654,
&end
#
# 39 ILE QG2 43 PRO HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 609, 610, 611,
&end
#
# 39 ILE QG2 43 PRO HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 609, 610, 611,
&end
#
# 39 ILE QG2 43 PRO HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 609, 610, 611,
&end
#
# 39 ILE QG2 44 ASP H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 609, 610, 611,
&end
#
# 39 ILE QG2 46 PHE H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 609, 610, 611,
&end
#
# 39 ILE QG2 46 PHE QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 609, 610, 611,
igr2= 709, 717,
&end
#
# 39 ILE QG2 59 MET QE 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 609, 610, 611,
igr2= 938, 939, 940,
&end
#
# 40 VAL H 40 VAL HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 40 VAL H 40 VAL QG1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 628, 629, 630,
&end
#
# 40 VAL H 40 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 632, 633, 634,
&end
#
# 40 VAL H 41 ALA H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 622, 638, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 40 VAL H 42 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 622, 648, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 40 VAL HA 40 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 628, 629, 630,
&end
#
# 40 VAL HA 40 VAL QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 632, 633, 634,
&end
#
# 40 VAL HA 43 PRO HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 624, 663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 ALA H 41 ALA QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 642, 643, 644,
&end
#
# 41 ALA H 42 ALA H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 638, 648, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 41 ALA H 42 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 652, 653, 654,
&end
#
# 41 ALA HA 42 ALA HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 640, 650, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 41 ALA QB 42 ALA H 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 642, 643, 644,
&end
#
# 41 ALA QB 42 ALA HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 642, 643, 644,
&end
#
# 41 ALA QB 42 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 642, 643, 644,
igr2= 652, 653, 654,
&end
#
# 42 ALA H 42 ALA QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 652, 653, 654,
&end
#
# 42 ALA H 43 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 648, 659, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 42 ALA H 43 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 648, 660, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 42 ALA HA 43 PRO HD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 650, 659, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 42 ALA HA 43 PRO HD3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 650, 660, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 42 ALA HA 43 PRO HG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 650, 662, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 42 ALA HA 44 ASP H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 650, 672, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 42 ALA QB 43 PRO HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 43 PRO HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 43 PRO HD3 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 43 PRO HG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 44 ASP H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 44 ASP QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653, 654,
igr2= 676, 677,
&end
#
# 42 ALA QB 45 GLN H 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 45 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 45 GLN HE22 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 45 GLN HE21 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 652, 653, 654,
&end
#
# 42 ALA QB 46 PHE H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 652, 653, 654,
&end
#
# 43 PRO HA 45 GLN H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 668, 684, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 43 PRO HA 46 PHE H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 668, 701, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 43 PRO HD2 44 ASP H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 659, 672, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 43 PRO HD3 44 ASP H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 660, 672, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 43 PRO HG2 44 ASP H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 662, 672, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 43 PRO HG2 44 ASP QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 676, 677,
&end
#
# 43 PRO HG3 44 ASP H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 663, 672, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 44 ASP H 44 ASP QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 676, 677,
&end
#
# 44 ASP H 45 GLN H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 672, 684, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 44 ASP H 45 GLN HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 672, 686, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 44 ASP H 46 PHE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 672, 701, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 44 ASP HA 44 ASP QB 2.89
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 676, 677,
&end
#
# 44 ASP HA 46 PHE H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 674, 701, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 44 ASP QB 45 GLN H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 676, 677,
&end
#
# 44 ASP QB 45 GLN HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 676, 677,
&end
#
# 45 GLN H 45 GLN HE21 5.39
&rst
ixpk= 0, nxpk= 0, iat= 684, 697, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 45 GLN H 45 GLN HG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 684, 691, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 45 GLN H 45 GLN HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 684, 692, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 45 GLN H 45 GLN QG 3.36
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 691, 692,
&end
#
# 45 GLN H 46 PHE H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 684, 701, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 45 GLN HA 45 GLN HE21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 686, 697, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 GLN QG 45 GLN HE22 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 691, 692,
&end
#
# 45 GLN QG 45 GLN HE21 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 691, 692,
&end
#
# 45 GLN QG 46 PHE H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 691, 692,
&end
#
# 46 PHE H 46 PHE HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 701, 705, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 46 PHE H 46 PHE HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 701, 706, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 46 PHE H 46 PHE QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 709, 717,
&end
#
# 46 PHE H 47 PRO QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 722, 723,
&end
#
# 46 PHE HA 46 PHE QD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 709, 717,
&end
#
# 46 PHE HZ 56 LEU H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 713, 863, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 46 PHE HZ 56 LEU HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 713, 865, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 46 PHE HZ 56 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 876, 877, 878,
&end
#
# 46 PHE QD 47 PRO QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 709, 717,
igr2= 722, 723,
&end
#
# 46 PHE QD 48 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 709, 717,
igr2= 745, 746,
&end
#
# 46 PHE QD 59 MET HG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 709, 717,
&end
#
# 46 PHE QD 59 MET HG3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 709, 717,
&end
#
# 46 PHE QD 59 MET QE 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 709, 717,
igr2= 938, 939, 940,
&end
#
# 46 PHE QE 56 LEU H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 711, 715,
&end
#
# 46 PHE QE 56 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 711, 715,
&end
#
# 46 PHE QE 56 LEU QD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 711, 715,
igr2= 876, 877, 878,
&end
#
# 46 PHE QE 56 LEU QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 711, 715,
igr2= 872, 873, 874,
&end
#
# 46 PHE QE 59 MET H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 711, 715,
&end
#
# 47 PRO HA 48 ARG H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 731, 735, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 47 PRO HA 49 ASP H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 731, 759, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 47 PRO HA 50 VAL QQG 5.07
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 777, 778, 779, 781, 782, 783,
&end
#
# 47 PRO QD 48 ARG QD 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 722, 723,
igr2= 745, 746,
&end
#
# 47 PRO QD 59 MET HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 722, 723,
&end
#
# 47 PRO QD 59 MET HG3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 722, 723,
&end
#
# 48 ARG H 48 ARG HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 735, 739, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 48 ARG H 48 ARG HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 48 ARG H 48 ARG QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 745, 746,
&end
#
# 48 ARG H 48 ARG QG 3.79
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 742, 743,
&end
#
# 48 ARG H 49 ASP H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 735, 759, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 48 ARG H 49 ASP HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 735, 761, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 48 ARG H 50 VAL H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 735, 771, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 48 ARG H 50 VAL QQG 5.15
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 777, 778, 779, 781, 782, 783,
&end
#
# 48 ARG HA 48 ARG QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 745, 746,
&end
#
# 48 ARG HA 48 ARG QG 3.79
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 742, 743,
&end
#
# 48 ARG HA 50 VAL H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 737, 771, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 48 ARG HB2 48 ARG QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 745, 746,
&end
#
# 48 ARG HB3 48 ARG QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 745, 746,
&end
#
# 48 ARG QD 49 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 745, 746,
&end
#
# 48 ARG QG 48 ARG QD 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 742, 743,
igr2= 745, 746,
&end
#
# 48 ARG QG 49 ASP H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 742, 743,
&end
#
# 49 ASP H 49 ASP HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 49 ASP H 49 ASP HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 49 ASP H 50 VAL H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 759, 771, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 49 ASP H 50 VAL QQG 3.99
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL H 50 VAL QQG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL H 51 ASP H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 771, 787, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 50 VAL H 51 ASP HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= 771, 789, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 50 VAL HA 50 VAL QQG 3.23
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL HA 51 ASP H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 773, 787, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 50 VAL HB 51 ASP H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 775, 787, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 50 VAL HB 51 ASP HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 775, 791, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 50 VAL HB 54 LEU QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 841, 842,
&end
#
# 50 VAL QQG 117 TYR QE 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 777, 778, 779, 781, 782, 783,
igr2=1768,1773,
&end
#
# 50 VAL QQG 51 ASP H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL QQG 51 ASP HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL QQG 51 ASP HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL QQG 53 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL QQG 54 LEU H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL QQG 54 LEU HG 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL QQG 54 LEU QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 777, 778, 779, 781, 782, 783,
igr2= 841, 842,
&end
#
# 50 VAL QQG 54 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 777, 778, 779, 781, 782, 783,
igr2= 846, 847, 848,
&end
#
# 50 VAL QQG 54 LEU QD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 777, 778, 779, 781, 782, 783,
igr2= 850, 851, 852,
&end
#
# 50 VAL QQG 55 GLY H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 777, 778, 779, 781, 782, 783,
&end
#
# 51 ASP H 51 ASP HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 51 ASP H 51 ASP HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 787, 791, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 51 ASP H 54 LEU H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 787, 837, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 51 ASP H 54 LEU QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 841, 842,
&end
#
# 51 ASP H 55 GLY H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 787, 856, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 51 ASP HA 51 ASP HB3 2.85
&rst
ixpk= 0, nxpk= 0, iat= 789, 792, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 51 ASP HA 52 PRO HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 789, 807, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 51 ASP HA 52 PRO HD2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 789, 800, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 51 ASP HA 52 PRO HD3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 789, 801, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 51 ASP HA 53 ARG H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 789, 813, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 51 ASP HB3 52 PRO HD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 792, 800, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 51 ASP HB3 52 PRO HD3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 792, 801, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 51 ASP HB3 53 ARG H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 792, 813, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 51 ASP HB3 53 ARG QG 4.82
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 820, 821,
&end
#
# 51 ASP HB3 54 LEU H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 792, 837, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 51 ASP HB2 53 ARG H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 791, 813, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 ASP HB2 54 LEU H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 791, 837, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 51 ASP HB2 54 LEU QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 841, 842,
&end
#
# 53 ARG H 53 ARG HD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 813, 823, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 53 ARG H 53 ARG HD3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 813, 824, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 53 ARG H 53 ARG QG 4.68
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 820, 821,
&end
#
# 53 ARG H 54 LEU H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 813, 837, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 53 ARG H 55 GLY H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 813, 856, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 53 ARG HA 53 ARG HD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 815, 823, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 53 ARG HA 53 ARG HD3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 815, 824, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 53 ARG QB 110 PHE HZ 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 817, 818,
&end
#
# 53 ARG QB 110 PHE QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 817, 818,
igr2=1676,1680,
&end
#
# 53 ARG QB 53 ARG HD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 817, 818,
&end
#
# 53 ARG QB 53 ARG HD3 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 817, 818,
&end
#
# 53 ARG QB 54 LEU H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 817, 818,
&end
#
# 53 ARG QB 57 TYR QD 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 817, 818,
igr2= 890, 899,
&end
#
# 53 ARG QB 57 TYR QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 817, 818,
igr2= 892, 897,
&end
#
# 54 LEU H 54 LEU QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 841, 842,
&end
#
# 54 LEU H 54 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 846, 847, 848,
&end
#
# 54 LEU H 54 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 850, 851, 852,
&end
#
# 54 LEU H 55 GLY H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 837, 856, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 54 LEU HA 54 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 846, 847, 848,
&end
#
# 54 LEU HA 54 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 850, 851, 852,
&end
#
# 54 LEU HG 117 TYR QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1766,1775,
&end
#
# 54 LEU HG 117 TYR QE 4.57
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1768,1773,
&end
#
# 54 LEU QB 110 PHE QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 841, 842,
igr2=1676,1680,
&end
#
# 54 LEU QB 54 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 841, 842,
igr2= 846, 847, 848,
&end
#
# 54 LEU QB 54 LEU QD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 841, 842,
igr2= 850, 851, 852,
&end
#
# 54 LEU QB 55 GLY H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 841, 842,
&end
#
# 54 LEU QD1 110 PHE QE 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 846, 847, 848,
igr2=1676,1680,
&end
#
# 54 LEU QD1 114 ASP H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 846, 847, 848,
&end
#
# 54 LEU QD1 114 ASP HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 846, 847, 848,
&end
#
# 54 LEU QD1 114 ASP HB2 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 846, 847, 848,
&end
#
# 54 LEU QD1 117 TYR H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 846, 847, 848,
&end
#
# 54 LEU QD1 117 TYR QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 846, 847, 848,
igr2=1766,1775,
&end
#
# 54 LEU QD1 117 TYR QE 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 846, 847, 848,
igr2=1768,1773,
&end
#
# 54 LEU QD1 118 LEU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 846, 847, 848,
&end
#
# 54 LEU QD1 55 GLY H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 846, 847, 848,
&end
#
# 54 LEU QD2 110 PHE QE 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 850, 851, 852,
igr2=1676,1680,
&end
#
# 54 LEU QD2 114 ASP H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 850, 851, 852,
&end
#
# 54 LEU QD2 114 ASP HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 850, 851, 852,
&end
#
# 54 LEU QD2 114 ASP HB2 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 850, 851, 852,
&end
#
# 54 LEU QD2 114 ASP HB3 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 850, 851, 852,
&end
#
# 54 LEU QD2 117 TYR H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 850, 851, 852,
&end
#
# 54 LEU QD2 117 TYR QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 850, 851, 852,
igr2=1766,1775,
&end
#
# 54 LEU QD2 117 TYR QE 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 850, 851, 852,
igr2=1768,1773,
&end
#
# 54 LEU QD2 118 LEU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 850, 851, 852,
&end
#
# 54 LEU QD2 55 GLY H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 850, 851, 852,
&end
#
# 56 LEU H 56 LEU HG 4.35
&rst
ixpk= 0, nxpk= 0, iat= 863, 870, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 56 LEU H 56 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 876, 877, 878,
&end
#
# 56 LEU H 56 LEU QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 872, 873, 874,
&end
#
# 56 LEU H 57 TYR H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 863, 882, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 LEU H 57 TYR QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 890, 899,
&end
#
# 56 LEU H 58 ARG H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 863, 903, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 56 LEU HA 56 LEU QD2 2.77
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 876, 877, 878,
&end
#
# 56 LEU HA 56 LEU QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 872, 873, 874,
&end
#
# 56 LEU HG 57 TYR H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 870, 882, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 56 LEU HG 57 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 890, 899,
&end
#
# 57 TYR H 57 TYR QD 4.07
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 890, 899,
&end
#
# 57 TYR H 58 ARG H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 882, 903, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 57 TYR HA 57 TYR QD 4.63
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 890, 899,
&end
#
# 57 TYR HA 60 PHE H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 884, 944, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 57 TYR HA 60 PHE HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 884, 948, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 57 TYR HA 60 PHE HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 884, 949, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 57 TYR HB2 118 LEU QD1 5.86
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1788,1789,1790,
&end
#
# 57 TYR HB2 58 ARG H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 886, 903, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 57 TYR HB3 118 LEU QD1 5.86
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1788,1789,1790,
&end
#
# 57 TYR HB3 118 LEU QD2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1792,1793,1794,
&end
#
# 57 TYR HB3 58 ARG H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 887, 903, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 57 TYR QD 58 ARG H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 890, 899,
&end
#
# 58 ARG H 59 MET H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 903, 927, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 58 ARG HA 118 LEU HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 905,1781, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 58 ARG HA 118 LEU QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1788,1789,1790,
&end
#
# 58 ARG HA 118 LEU QD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1792,1793,1794,
&end
#
# 58 ARG HA 58 ARG HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 58 ARG HA 58 ARG HD3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 905, 914, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 58 ARG HA 61 GLN H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 905, 964, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 58 ARG HD2 117 TYR QE 4.37
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1768,1773,
&end
#
# 58 ARG HD2 118 LEU HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 913,1781, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 58 ARG HD3 117 TYR QE 4.37
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1768,1773,
&end
#
# 58 ARG HD3 118 LEU HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 914,1781, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 59 MET H 59 MET HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 927, 932, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 59 MET H 59 MET HG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 927, 934, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 59 MET H 59 MET HG3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 927, 935, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 59 MET HA 59 MET HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 929, 934, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 59 MET HA 59 MET HG3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 929, 935, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 59 MET HA 59 MET QE 3.52
&rst
ixpk= 0, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 938, 939, 940,
&end
#
# 59 MET HB3 59 MET QE 2.98
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 938, 939, 940,
&end
#
# 59 MET HB3 60 PHE H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 932, 944, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 59 MET HB3 63 ILE QD1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1001,1002,1003,
&end
#
# 59 MET HB2 60 PHE H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 931, 944, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 60 PHE H 60 PHE QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 952, 960,
&end
#
# 60 PHE H 61 GLN H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 944, 964, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 60 PHE QD 60 PHE HZ 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 952, 960,
&end
#
# 60 PHE QD 61 GLN H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 952, 960,
&end
#
# 60 PHE QD 61 GLN HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 952, 960,
&end
#
# 61 GLN H 61 GLN HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 964, 968, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 61 GLN H 61 GLN HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 964, 969, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 61 GLN H 62 GLY H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 964, 981, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 61 GLN HA 64 TRP H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 966,1007, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 61 GLN HB2 62 GLY H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 968, 981, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 61 GLN HB3 62 GLY H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 969, 981, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 61 GLN HE21 119 ILE HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 977,1800, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 61 GLN HE22 119 ILE HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 976,1800, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 62 GLY H 63 ILE H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 981, 988, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 62 GLY H 63 ILE HG12 4.52
&rst
ixpk= 0, nxpk= 0, iat= 981, 998, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 62 GLY H 64 TRP H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 981,1007, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 63 ILE H 63 ILE HB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 988, 992, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 63 ILE H 63 ILE HG12 3.51
&rst
ixpk= 0, nxpk= 0, iat= 988, 998, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 63 ILE H 63 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1001,1002,1003,
&end
#
# 63 ILE H 63 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 994, 995, 996,
&end
#
# 63 ILE H 64 TRP H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 988,1007, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 63 ILE HA 63 ILE HG12 3.65
&rst
ixpk= 0, nxpk= 0, iat= 990, 998, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 63 ILE HA 63 ILE QD1 2.98
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1001,1002,1003,
&end
#
# 63 ILE HA 63 ILE QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 994, 995, 996,
&end
#
# 63 ILE HB 63 ILE QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1001,1002,1003,
&end
#
# 63 ILE HB 64 TRP H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 992,1007, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 63 ILE HB 67 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1056,1057,1058,
&end
#
# 63 ILE HG12 64 TRP H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 998,1007, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 63 ILE QD1 67 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=1001,1002,1003,
igr2=1056,1057,1058,
&end
#
# 63 ILE QG2 63 ILE HG12 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 994, 995, 996,
&end
#
# 63 ILE QG2 63 ILE QD1 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 994, 995, 996,
igr2=1001,1002,1003,
&end
#
# 63 ILE QG2 64 TRP H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 994, 995, 996,
&end
#
# 63 ILE QG2 64 TRP HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 994, 995, 996,
&end
#
# 63 ILE QG2 65 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 994, 995, 996,
&end
#
# 63 ILE QG2 67 ALA QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 994, 995, 996,
igr2=1056,1057,1058,
&end
#
# 64 TRP H 64 TRP HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1007,1011, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 64 TRP H 64 TRP HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1007,1012, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 64 TRP H 65 ALA H 3.74
&rst
ixpk= 0, nxpk= 0, iat=1007,1031, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 64 TRP H 65 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1035,1036,1037,
&end
#
# 64 TRP HA 67 ALA H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1009,1052, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 64 TRP HA 67 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1056,1057,1058,
&end
#
# 65 ALA H 65 ALA QB 3.07
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1035,1036,1037,
&end
#
# 65 ALA H 66 SER H 3.54
&rst
ixpk= 0, nxpk= 0, iat=1031,1041, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 65 ALA H 67 ALA H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1031,1052, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 65 ALA QB 66 SER H 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1035,1036,1037,
&end
#
# 65 ALA QB 66 SER HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1035,1036,1037,
&end
#
# 65 ALA QB 66 SER HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1035,1036,1037,
&end
#
# 65 ALA QB 66 SER HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1035,1036,1037,
&end
#
# 65 ALA QB 67 ALA H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1035,1036,1037,
&end
#
# 65 ALA QB 68 ASN H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1035,1036,1037,
&end
#
# 65 ALA QB 69 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1035,1036,1037,
igr2=1080,1081,1082,
&end
#
# 66 SER H 66 SER HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1041,1045, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 66 SER H 66 SER HB3 3.23
&rst
ixpk= 0, nxpk= 0, iat=1041,1046, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 66 SER H 67 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1056,1057,1058,
&end
#
# 66 SER HA 66 SER HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 66 SER HA 66 SER HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat=1043,1046, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 66 SER HA 69 ALA QB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1080,1081,1082,
&end
#
# 67 ALA H 67 ALA QB 3.10
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1056,1057,1058,
&end
#
# 67 ALA H 68 ASN H 3.37
&rst
ixpk= 0, nxpk= 0, iat=1052,1062, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 67 ALA H 69 ALA H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1052,1076, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 67 ALA HA 68 ASN H 3.62
&rst
ixpk= 0, nxpk= 0, iat=1054,1062, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 67 ALA HA 69 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1054,1076, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 67 ALA QB 68 ASN H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1056,1057,1058,
&end
#
# 67 ALA QB 68 ASN HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1056,1057,1058,
&end
#
# 67 ALA QB 68 ASN HD21 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1056,1057,1058,
&end
#
# 67 ALA QB 68 ASN HD22 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1056,1057,1058,
&end
#
# 67 ALA QB 72 GLU HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1056,1057,1058,
&end
#
# 67 ALA QB 72 GLU HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1056,1057,1058,
&end
#
# 68 ASN H 68 ASN HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 68 ASN H 68 ASN HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat=1062,1067, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 68 ASN H 69 ALA H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1062,1076, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 68 ASN H 70 ASP H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1062,1086, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 68 ASN HA 70 ASP H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1064,1086, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 68 ASN HA 73 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1124,1125,1126,
&end
#
# 68 ASN HB2 69 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1066,1076, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 68 ASN HB3 69 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1067,1076, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 69 ALA H 69 ALA QB 2.95
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1080,1081,1082,
&end
#
# 69 ALA H 70 ASP H 3.19
&rst
ixpk= 0, nxpk= 0, iat=1076,1086, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 69 ALA H 71 GLY H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1076,1098, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 69 ALA HA 70 ASP H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1078,1086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 ALA HA 70 ASP HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 69 ALA HA 71 GLY H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1078,1098, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 69 ALA QB 70 ASP H 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1080,1081,1082,
&end
#
# 69 ALA QB 70 ASP HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1080,1081,1082,
&end
#
# 69 ALA QB 71 GLY H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1080,1081,1082,
&end
#
# 70 ASP H 70 ASP HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1086,1090, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 70 ASP H 70 ASP HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 70 ASP H 71 GLY H 2.85
&rst
ixpk= 0, nxpk= 0, iat=1086,1098, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 70 ASP HA 71 GLY H 3.46
&rst
ixpk= 0, nxpk= 0, iat=1088,1098, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 70 ASP HB2 71 GLY H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1090,1098, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 70 ASP HB3 71 GLY H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1091,1098, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 71 GLY H 72 GLU H 3.27
&rst
ixpk= 0, nxpk= 0, iat=1098,1105, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 72 GLU HA 72 GLU QG 3.47
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1112,1113,
&end
#
# 72 GLU HA 73 ALA H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1107,1120, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 72 GLU HA 73 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1124,1125,1126,
&end
#
# 72 GLU HB2 72 GLU QG 3.00
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1112,1113,
&end
#
# 72 GLU HB3 72 GLU QG 3.00
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1112,1113,
&end
#
# 72 GLU QG 73 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1112,1113,
igr2=1124,1125,1126,
&end
#
# 73 ALA H 73 ALA QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1124,1125,1126,
&end
#
# 73 ALA H 74 GLN HA 5.30
&rst
ixpk= 0, nxpk= 0, iat=1120,1132, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 ALA H 74 GLN QG 4.68
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1137,1138,
&end
#
# 73 ALA HA 74 GLN H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1122,1130, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 ALA HA 74 GLN QG 4.62
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1137,1138,
&end
#
# 73 ALA QB 74 GLN H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1124,1125,1126,
&end
#
# 74 GLN H 74 GLN QG 3.65
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1137,1138,
&end
#
# 74 GLN H 75 THR H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1130,1147, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 74 GLN HA 74 GLN QG 3.09
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1137,1138,
&end
#
# 74 GLN HA 75 THR H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1132,1147, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 74 GLN HA 75 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1153,1154,1155,
&end
#
# 74 GLN HB2 74 GLN QG 2.64
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2=1137,1138,
&end
#
# 74 GLN HB2 75 THR H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1134,1147, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 74 GLN HB3 74 GLN QG 2.64
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2=1137,1138,
&end
#
# 74 GLN HB3 75 THR H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1135,1147, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 74 GLN QG 74 GLN HE21 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1137,1138,
&end
#
# 74 GLN QG 74 GLN HE22 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1137,1138,
&end
#
# 74 GLN QG 75 THR H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1137,1138,
&end
#
# 75 THR H 75 THR HB 3.91
&rst
ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 75 THR H 75 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1153,1154,1155,
&end
#
# 75 THR HA 75 THR HB 2.43
&rst
ixpk= 0, nxpk= 0, iat=1149,1151, r1= 1.30, r2= 1.80, r3= 2.43, r4= 2.93, &end
#
# 75 THR HA 75 THR QG2 3.26
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1153,1154,1155,
&end
#
# 75 THR HB 76 SER H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1151,1161, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 75 THR QG2 76 SER HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1153,1154,1155,
&end
#
# 77 GLN HA 78 SER H 3.37
&rst
ixpk= 0, nxpk= 0, iat=1174,1189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 77 GLN QG 78 SER HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1179,1180,
&end
#
# 78 SER HA 79 ASP H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1191,1200, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 78 SER HA 79 ASP QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1204,1205,
&end
#
# 78 SER HA 80 ALA H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1191,1212, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 79 ASP H 79 ASP QB 3.42
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1204,1205,
&end
#
# 79 ASP H 80 ALA H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1200,1212, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 79 ASP HA 79 ASP QB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=1204,1205,
&end
#
# 79 ASP HA 80 ALA H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1202,1212, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 79 ASP QB 80 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1204,1205,
igr2=1216,1217,1218,
&end
#
# 80 ALA H 80 ALA QB 3.06
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1216,1217,1218,
&end
#
# 80 ALA H 81 GLU HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1212,1224, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 80 ALA HA 81 GLU H 2.76
&rst
ixpk= 0, nxpk= 0, iat=1214,1222, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 80 ALA QB 81 GLU H 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1216,1217,1218,
&end
#
# 80 ALA QB 81 GLU HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1216,1217,1218,
&end
#
# 80 ALA QB 81 GLU QG 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1216,1217,1218,
igr2=1229,1230,
&end
#
# 80 ALA QB 82 GLY H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1216,1217,1218,
&end
#
# 80 ALA QB 82 GLY HA2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1216,1217,1218,
&end
#
# 80 ALA QB 83 THR HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1216,1217,1218,
&end
#
# 80 ALA QB 83 THR QG2 2.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1216,1217,1218,
igr2=1250,1251,1252,
&end
#
# 81 GLU H 81 GLU HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1222,1226, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 81 GLU H 81 GLU HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 81 GLU H 81 GLU QG 3.52
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1229,1230,
&end
#
# 81 GLU HA 81 GLU QG 3.33
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1229,1230,
&end
#
# 81 GLU HA 82 GLY H 3.32
&rst
ixpk= 0, nxpk= 0, iat=1224,1237, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 81 GLU HB2 81 GLU QG 2.80
&rst
ixpk= 0, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1229,1230,
&end
#
# 81 GLU HB3 81 GLU QG 2.80
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1229,1230,
&end
#
# 81 GLU QG 82 GLY H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1229,1230,
&end
#
# 82 GLY H 85 ALA QB 5.25
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1277,1278,1279,
&end
#
# 82 GLY HA2 85 ALA QB 5.32
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1277,1278,1279,
&end
#
# 83 THR H 83 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1250,1251,1252,
&end
#
# 83 THR HA 83 THR HB 2.91
&rst
ixpk= 0, nxpk= 0, iat=1246,1248, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 83 THR HA 83 THR QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1250,1251,1252,
&end
#
# 83 THR HA 86 VAL HB 4.21
&rst
ixpk= 0, nxpk= 0, iat=1246,1287, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 83 THR HA 86 VAL QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1289,1290,1291,
&end
#
# 83 THR HA 87 ALA QB 5.30
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1303,1304,1305,
&end
#
# 83 THR HB 84 GLU H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1248,1258, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 83 THR HB 86 VAL HB 6.30
&rst
ixpk= 0, nxpk= 0, iat=1248,1287, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 83 THR HB 86 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1289,1290,1291,
&end
#
# 83 THR QG2 84 GLU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1250,1251,1252,
&end
#
# 83 THR QG2 84 GLU QG 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1250,1251,1252,
igr2=1265,1266,
&end
#
# 84 GLU H 84 GLU QG 4.32
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1265,1266,
&end
#
# 84 GLU H 85 ALA H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1258,1273, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 84 GLU H 85 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1277,1278,1279,
&end
#
# 84 GLU HA 84 GLU QG 4.17
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1265,1266,
&end
#
# 84 GLU HA 87 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1260,1299, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 84 GLU HA 87 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1303,1304,1305,
&end
#
# 84 GLU QG 85 ALA H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1265,1266,
&end
#
# 84 GLU QG 85 ALA QB 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1265,1266,
igr2=1277,1278,1279,
&end
#
# 85 ALA H 85 ALA QB 3.19
&rst
ixpk= 0, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1277,1278,1279,
&end
#
# 85 ALA QB 86 VAL H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1277,1278,1279,
&end
#
# 85 ALA QB 86 VAL HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1277,1278,1279,
&end
#
# 85 ALA QB 86 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1277,1278,1279,
igr2=1289,1290,1291,
&end
#
# 86 VAL H 86 VAL HB 3.18
&rst
ixpk= 0, nxpk= 0, iat=1283,1287, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 86 VAL H 86 VAL QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1293,1294,1295,
&end
#
# 86 VAL H 86 VAL QG1 3.13
&rst
ixpk= 0, nxpk= 0, iat=1283, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1289,1290,1291,
&end
#
# 86 VAL H 87 ALA H 3.46
&rst
ixpk= 0, nxpk= 0, iat=1283,1299, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 86 VAL H 88 ARG H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1283,1309, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 86 VAL HA 86 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1293,1294,1295,
&end
#
# 86 VAL HA 86 VAL QG1 3.30
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1289,1290,1291,
&end
#
# 86 VAL HA 89 ALA H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1285,1333, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 86 VAL HA 89 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1337,1338,1339,
&end
#
# 86 VAL HB 87 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1287,1299, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 VAL HB 87 ALA QB 5.30
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1303,1304,1305,
&end
#
# 86 VAL QG2 87 ALA H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1293,1294,1295,
&end
#
# 86 VAL QG2 87 ALA HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1293,1294,1295,
&end
#
# 86 VAL QG2 87 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1293,1294,1295,
igr2=1303,1304,1305,
&end
#
# 86 VAL QG2 88 ARG H 6.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1293,1294,1295,
&end
#
# 86 VAL QG2 89 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1293,1294,1295,
igr2=1337,1338,1339,
&end
#
# 86 VAL QG2 90 ARG QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1293,1294,1295,
igr2=1353,1354,
&end
#
# 86 VAL QG2 90 ARG QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1293,1294,1295,
igr2=1350,1351,
&end
#
# 86 VAL QG1 87 ALA H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1289,1290,1291,
&end
#
# 86 VAL QG1 89 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1289,1290,1291,
igr2=1337,1338,1339,
&end
#
# 87 ALA H 87 ALA QB 3.06
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1303,1304,1305,
&end
#
# 87 ALA H 88 ARG H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1299,1309, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 87 ALA HA 90 ARG QD 4.28
&rst
ixpk= 0, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1353,1354,
&end
#
# 87 ALA QB 88 ARG H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1303,1304,1305,
&end
#
# 87 ALA QB 91 LEU H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1303,1304,1305,
&end
#
# 88 ARG H 88 ARG HG2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1309,1316, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 88 ARG H 88 ARG HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1309,1317, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 88 ARG H 89 ALA H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1309,1333, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 88 ARG H 89 ALA QB 4.69
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1337,1338,1339,
&end
#
# 89 ALA H 89 ALA QB 2.89
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1337,1338,1339,
&end
#
# 89 ALA QB 90 ARG H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1337,1338,1339,
&end
#
# 89 ALA QB 90 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1337,1338,1339,
igr2=1353,1354,
&end
#
# 90 ARG H 90 ARG HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1343,1347, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 90 ARG H 90 ARG HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1343,1348, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 90 ARG H 90 ARG QD 4.52
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1353,1354,
&end
#
# 90 ARG H 90 ARG QG 3.60
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1350,1351,
&end
#
# 90 ARG H 91 LEU H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1343,1367, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 90 ARG HA 90 ARG QD 4.08
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1353,1354,
&end
#
# 90 ARG HA 90 ARG QG 3.81
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1350,1351,
&end
#
# 90 ARG QD 141 THR HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1353,1354,
&end
#
# 91 LEU H 92 ALA H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1367,1386, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 91 LEU H 92 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1390,1391,1392,
&end
#
# 91 LEU HG 141 THR HA 5.95
&rst
ixpk= 0, nxpk= 0, iat=1374,2138, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 91 LEU QD1 141 THR HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2138, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1376,1377,1378,
&end
#
# 91 LEU QD1 92 ALA H 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1376,1377,1378,
&end
#
# 91 LEU QD2 141 THR HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2138, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1380,1381,1382,
&end
#
# 91 LEU QD2 92 ALA H 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1380,1381,1382,
&end
#
# 92 ALA H 92 ALA QB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1390,1391,1392,
&end
#
# 92 ALA H 93 ARG H 4.06
&rst
ixpk= 0, nxpk= 0, iat=1386,1396, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 92 ALA H 94 MET H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1386,1420, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 92 ALA HA 94 MET H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1388,1420, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 92 ALA QB 93 ARG H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1390,1391,1392,
&end
#
# 92 ALA QB 93 ARG HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1398, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1390,1391,1392,
&end
#
# 92 ALA QB 93 ARG QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1390,1391,1392,
igr2=1406,1407,
&end
#
# 92 ALA QB 94 MET H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1390,1391,1392,
&end
#
# 93 ARG H 93 ARG QD 4.80
&rst
ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1406,1407,
&end
#
# 93 ARG H 93 ARG QG 4.12
&rst
ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1403,1404,
&end
#
# 93 ARG HA 93 ARG QD 3.58
&rst
ixpk= 0, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1406,1407,
&end
#
# 93 ARG HA 93 ARG QG 3.67
&rst
ixpk= 0, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1403,1404,
&end
#
# 93 ARG HB2 93 ARG QD 3.28
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1406,1407,
&end
#
# 93 ARG HB3 93 ARG QD 3.28
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1406,1407,
&end
#
# 94 MET H 94 MET HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1420,1424, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 94 MET H 94 MET HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat=1420,1425, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 94 MET H 94 MET HG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1420,1427, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 94 MET H 94 MET HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat=1420,1428, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 94 MET H 94 MET QE 5.03
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1431,1432,1433,
&end
#
# 94 MET H 95 THR H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1420,1437, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 94 MET HA 95 THR H 3.29
&rst
ixpk= 0, nxpk= 0, iat=1422,1437, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 94 MET HB2 95 THR H 4.08
&rst
ixpk= 0, nxpk= 0, iat=1424,1437, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 94 MET HB3 95 THR H 4.08
&rst
ixpk= 0, nxpk= 0, iat=1425,1437, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 94 MET HG2 94 MET QE 3.66
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1431,1432,1433,
&end
#
# 94 MET HG3 94 MET QE 3.66
&rst
ixpk= 0, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1431,1432,1433,
&end
#
# 94 MET QE 137 ILE HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1431,1432,1433,
&end
#
# 94 MET QE 137 ILE HG12 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1431,1432,1433,
&end
#
# 94 MET QE 137 ILE HG13 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1431,1432,1433,
&end
#
# 94 MET QE 137 ILE QD1 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1431,1432,1433,
igr2=2076,2077,2078,
&end
#
# 95 THR H 95 THR HB 4.01
&rst
ixpk= 0, nxpk= 0, iat=1437,1441, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 95 THR H 95 THR QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1443,1444,1445,
&end
#
# 95 THR HA 95 THR QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1443,1444,1445,
&end
#
# 95 THR HA 97 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1439,1465, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 95 THR QG2 96 PRO HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1443,1444,1445,
&end
#
# 95 THR QG2 96 PRO QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1443,1444,1445,
igr2=1452,1453,
&end
#
# 95 THR QG2 97 LEU H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1443,1444,1445,
&end
#
# 96 PRO QD 97 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1452,1453,
&end
#
# 97 LEU H 98 SER H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1465,1484, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 97 LEU H 98 SER HA 5.17
&rst
ixpk= 0, nxpk= 0, iat=1465,1486, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 97 LEU HA 100 GLN H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1467,1519, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 97 LEU HA 101 ALA H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1467,1536, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 97 LEU HA 119 ILE QG2 6.04
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2=1804,1805,1806,
&end
#
# 97 LEU HA 97 LEU QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1474,1475,1476,
&end
#
# 97 LEU HA 97 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1478,1479,1480,
&end
#
# 97 LEU QD1 100 GLN HE21 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1474,1475,1476,
&end
#
# 97 LEU QD1 100 GLN HE22 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1474,1475,1476,
&end
#
# 97 LEU QD1 119 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1474,1475,1476,
igr2=1811,1812,1813,
&end
#
# 97 LEU QD1 119 ILE QG2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1474,1475,1476,
igr2=1804,1805,1806,
&end
#
# 97 LEU QD2 100 GLN HE21 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1478,1479,1480,
&end
#
# 97 LEU QD2 100 GLN HE22 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1478,1479,1480,
&end
#
# 97 LEU QD2 119 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1478,1479,1480,
igr2=1811,1812,1813,
&end
#
# 97 LEU QD2 119 ILE QG2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1478,1479,1480,
igr2=1804,1805,1806,
&end
#
# 98 SER H 100 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1484,1519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 SER HA 133 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2013,2014,2015,
&end
#
# 98 SER QB 133 ALA QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1488,1489,
igr2=2013,2014,2015,
&end
#
# 100 GLN H 101 ALA QB 5.25
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1540,1541,1542,
&end
#
# 100 GLN H 119 ILE QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1804,1805,1806,
&end
#
# 101 ALA H 101 ALA QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1540,1541,1542,
&end
#
# 101 ALA H 102 LEU H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1536,1546, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 101 ALA H 119 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1811,1812,1813,
&end
#
# 101 ALA H 119 ILE QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1804,1805,1806,
&end
#
# 101 ALA HA 119 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1811,1812,1813,
&end
#
# 101 ALA QB 102 LEU H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1540,1541,1542,
&end
#
# 101 ALA QB 102 LEU HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1540,1541,1542,
&end
#
# 101 ALA QB 119 ILE QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1540,1541,1542,
igr2=1811,1812,1813,
&end
#
# 101 ALA QB 126 VAL HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1540,1541,1542,
&end
#
# 101 ALA QB 129 LEU HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1540,1541,1542,
&end
#
# 101 ALA QB 129 LEU HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1540,1541,1542,
&end
#
# 101 ALA QB 129 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1540,1541,1542,
igr2=1954,1955,1956,
&end
#
# 101 ALA QB 129 LEU QD2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1540,1541,1542,
igr2=1958,1959,1960,
&end
#
# 101 ALA QB 130 VAL H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1540,1541,1542,
&end
#
# 101 ALA QB 130 VAL HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1966, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1540,1541,1542,
&end
#
# 101 ALA QB 130 VAL QG1 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1540,1541,1542,
igr2=1970,1971,1972,
&end
#
# 101 ALA QB 130 VAL QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1540,1541,1542,
igr2=1974,1975,1976,
&end
#
# 102 LEU H 102 LEU HG 4.68
&rst
ixpk= 0, nxpk= 0, iat=1546,1553, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 102 LEU H 102 LEU QB 3.62
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1550,1551,
&end
#
# 102 LEU H 103 LEU H 4.01
&rst
ixpk= 0, nxpk= 0, iat=1546,1565, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 102 LEU HA 102 LEU QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1555,1556,1557,
&end
#
# 102 LEU HA 102 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1559,1560,1561,
&end
#
# 102 LEU HA 130 VAL HA 4.66
&rst
ixpk= 0, nxpk= 0, iat=1548,1966, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 102 LEU HA 130 VAL QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1970,1971,1972,
&end
#
# 102 LEU QB 103 LEU H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1565, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1550,1551,
&end
#
# 102 LEU QB 107 MET QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1550,1551,
igr2=1638,1639,1640,
&end
#
# 103 LEU H 103 LEU HG 5.03
&rst
ixpk= 0, nxpk= 0, iat=1565,1572, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 103 LEU H 103 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1574,1575,1576,
&end
#
# 103 LEU H 103 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1578,1579,1580,
&end
#
# 103 LEU H 104 LEU H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1565,1584, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 103 LEU H 107 MET QE 4.69
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1638,1639,1640,
&end
#
# 103 LEU HA 106 ALA H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1567,1617, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 103 LEU HA 107 MET H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1567,1627, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 103 LEU HA 107 MET QE 3.56
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1638,1639,1640,
&end
#
# 103 LEU HA 108 GLU H 5.60
&rst
ixpk= 0, nxpk= 0, iat=1567,1644, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 104 LEU H 104 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1593,1594,1595,
&end
#
# 104 LEU H 104 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1597,1598,1599,
&end
#
# 104 LEU H 105 THR H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1584,1603, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 104 LEU H 105 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1609,1610,1611,
&end
#
# 104 LEU HA 104 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1593,1594,1595,
&end
#
# 104 LEU HA 104 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1597,1598,1599,
&end
#
# 104 LEU HA 115 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1742,1743,1744,
&end
#
# 104 LEU QB 104 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1588,1589,
igr2=1593,1594,1595,
&end
#
# 104 LEU QB 104 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1588,1589,
igr2=1597,1598,1599,
&end
#
# 104 LEU QB 105 THR QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1588,1589,
igr2=1609,1610,1611,
&end
#
# 104 LEU QD1 105 THR H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1593,1594,1595,
&end
#
# 104 LEU QD1 105 THR QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1593,1594,1595,
igr2=1609,1610,1611,
&end
#
# 104 LEU QD1 115 ALA H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1593,1594,1595,
&end
#
# 104 LEU QD1 115 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=1593,1594,1595,
igr2=1742,1743,1744,
&end
#
# 104 LEU QD2 105 THR H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1597,1598,1599,
&end
#
# 104 LEU QD2 105 THR QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1597,1598,1599,
igr2=1609,1610,1611,
&end
#
# 104 LEU QD2 115 ALA H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1597,1598,1599,
&end
#
# 104 LEU QD2 115 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=1597,1598,1599,
igr2=1742,1743,1744,
&end
#
# 105 THR H 105 THR HB 3.99
&rst
ixpk= 0, nxpk= 0, iat=1603,1607, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 105 THR H 105 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1609,1610,1611,
&end
#
# 105 THR H 106 ALA H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1603,1617, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 105 THR H 106 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1621,1622,1623,
&end
#
# 105 THR H 130 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1970,1971,1972,
&end
#
# 105 THR HA 105 THR QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1609,1610,1611,
&end
#
# 105 THR HA 106 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1621,1622,1623,
&end
#
# 105 THR HA 109 GLY H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1605,1659, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 105 THR HA 110 PHE H 3.74
&rst
ixpk= 0, nxpk= 0, iat=1605,1666, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 105 THR HA 115 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1742,1743,1744,
&end
#
# 105 THR HB 106 ALA H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1607,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 105 THR HB 130 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1970,1971,1972,
&end
#
# 105 THR QG2 106 ALA H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1609,1610,1611,
&end
#
# 105 THR QG2 109 GLY H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1609,1610,1611,
&end
#
# 105 THR QG2 110 PHE H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1609,1610,1611,
&end
#
# 105 THR QG2 110 PHE QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1609,1610,1611,
igr2=1670,1671,
&end
#
# 105 THR QG2 110 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1609,1610,1611,
igr2=1674,1682,
&end
#
# 105 THR QG2 112 PRO HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1609,1610,1611,
&end
#
# 105 THR QG2 115 ALA H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1609,1610,1611,
&end
#
# 105 THR QG2 115 ALA QB 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1609,1610,1611,
igr2=1742,1743,1744,
&end
#
# 106 ALA H 106 ALA QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1621,1622,1623,
&end
#
# 106 ALA H 107 MET H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1617,1627, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 106 ALA H 108 GLU H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1617,1644, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 106 ALA QB 107 MET H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1621,1622,1623,
&end
#
# 107 MET H 107 MET QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1638,1639,1640,
&end
#
# 107 MET H 108 GLU H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1627,1644, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 107 MET H 109 GLY H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1627,1659, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 107 MET HB2 107 MET QE 3.82
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1638,1639,1640,
&end
#
# 107 MET HB3 107 MET QE 3.82
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1638,1639,1640,
&end
#
# 107 MET QE 108 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1638,1639,1640,
&end
#
# 108 GLU H 109 GLY H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1644,1659, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 108 GLU HA 110 PHE QD 4.90
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1674,1682,
&end
#
# 108 GLU QB 110 PHE H 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1648,1649,
&end
#
# 108 GLU QB 110 PHE QD 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1648,1649,
igr2=1674,1682,
&end
#
# 108 GLU QG 110 PHE HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1651,1652,
&end
#
# 108 GLU QG 110 PHE QD 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1651,1652,
igr2=1674,1682,
&end
#
# 109 GLY H 110 PHE H 3.68
&rst
ixpk= 0, nxpk= 0, iat=1659,1666, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 110 PHE H 110 PHE QB 3.84
&rst
ixpk= 0, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1670,1671,
&end
#
# 110 PHE H 110 PHE QD 3.70
&rst
ixpk= 0, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1674,1682,
&end
#
# 110 PHE H 115 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1742,1743,1744,
&end
#
# 110 PHE HA 110 PHE QD 3.81
&rst
ixpk= 0, nxpk= 0, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1674,1682,
&end
#
# 110 PHE HA 111 SER H 3.33
&rst
ixpk= 0, nxpk= 0, iat=1668,1686, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 110 PHE QB 111 SER H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1670,1671,
&end
#
# 110 PHE QB 115 ALA QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1670,1671,
igr2=1742,1743,1744,
&end
#
# 110 PHE QD 110 PHE HZ 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1674,1682,
&end
#
# 110 PHE QD 111 SER H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1674,1682,
&end
#
# 111 SER H 114 ASP H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1686,1726, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 111 SER H 115 ALA H 5.20
&rst
ixpk= 0, nxpk= 0, iat=1686,1738, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 111 SER QB 114 ASP H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1690,1691,
&end
#
# 112 PRO HA 115 ALA H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1707,1738, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 112 PRO HA 115 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1742,1743,1744,
&end
#
# 113 GLU H 113 GLU HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1711,1715, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 113 GLU H 113 GLU HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1711,1716, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 113 GLU H 113 GLU HG2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1711,1718, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 113 GLU H 113 GLU HG3 4.07
&rst
ixpk= 0, nxpk= 0, iat=1711,1719, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 113 GLU H 114 ASP H 3.67
&rst
ixpk= 0, nxpk= 0, iat=1711,1726, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 113 GLU H 114 ASP HA 5.18
&rst
ixpk= 0, nxpk= 0, iat=1711,1728, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 113 GLU H 115 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1711,1738, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 113 GLU H 116 ALA H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1711,1748, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 113 GLU H 116 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1752,1753,1754,
&end
#
# 113 GLU H 123 THR QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1866,1867,1868,
&end
#
# 113 GLU HA 113 GLU HG2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1713,1718, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 113 GLU HA 113 GLU HG3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1713,1719, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 113 GLU HA 116 ALA H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1713,1748, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 113 GLU HA 116 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1752,1753,1754,
&end
#
# 113 GLU HA 123 THR QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1866,1867,1868,
&end
#
# 113 GLU HB2 114 ASP H 3.96
&rst
ixpk= 0, nxpk= 0, iat=1715,1726, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 113 GLU HB2 123 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1866,1867,1868,
&end
#
# 113 GLU HB3 114 ASP H 3.96
&rst
ixpk= 0, nxpk= 0, iat=1716,1726, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 113 GLU HB3 123 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1866,1867,1868,
&end
#
# 113 GLU HG2 123 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1866,1867,1868,
&end
#
# 113 GLU HG3 123 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1866,1867,1868,
&end
#
# 114 ASP H 114 ASP HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1726,1730, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 114 ASP H 114 ASP HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1726,1731, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 114 ASP H 115 ALA H 3.59
&rst
ixpk= 0, nxpk= 0, iat=1726,1738, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 114 ASP H 115 ALA QB 4.65
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1742,1743,1744,
&end
#
# 114 ASP H 116 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1726,1748, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 114 ASP HA 117 TYR H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1728,1758, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 114 ASP HA 117 TYR QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1766,1775,
&end
#
# 114 ASP HB2 115 ALA H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1730,1738, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 114 ASP HB3 115 ALA H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1731,1738, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 115 ALA H 115 ALA QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1742,1743,1744,
&end
#
# 115 ALA H 116 ALA H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1738,1748, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 115 ALA H 116 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1752,1753,1754,
&end
#
# 115 ALA H 117 TYR H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1738,1758, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 115 ALA H 118 LEU H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1738,1779, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 115 ALA HA 118 LEU H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1740,1779, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 115 ALA QB 116 ALA H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1742,1743,1744,
&end
#
# 115 ALA QB 116 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1742,1743,1744,
igr2=1752,1753,1754,
&end
#
# 115 ALA QB 117 TYR H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1742,1743,1744,
&end
#
# 115 ALA QB 118 LEU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1742,1743,1744,
&end
#
# 115 ALA QB 119 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1742,1743,1744,
igr2=1811,1812,1813,
&end
#
# 115 ALA QB 126 VAL HB 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1742,1743,1744,
&end
#
# 116 ALA H 116 ALA QB 3.11
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1752,1753,1754,
&end
#
# 116 ALA H 117 TYR H 3.64
&rst
ixpk= 0, nxpk= 0, iat=1748,1758, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 116 ALA H 118 LEU H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1748,1779, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 116 ALA HA 119 ILE HG13 4.94
&rst
ixpk= 0, nxpk= 0, iat=1750,1809, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 116 ALA HA 119 ILE HG12 4.60
&rst
ixpk= 0, nxpk= 0, iat=1750,1808, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 116 ALA HA 119 ILE QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1804,1805,1806,
&end
#
# 116 ALA HA 121 VAL H 3.96
&rst
ixpk= 0, nxpk= 0, iat=1750,1832, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 116 ALA HA 126 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1906,1907,1908,
&end
#
# 116 ALA HA 126 VAL QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1910,1911,1912,
&end
#
# 116 ALA QB 117 TYR H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1752,1753,1754,
&end
#
# 116 ALA QB 121 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1752,1753,1754,
&end
#
# 116 ALA QB 122 ASP HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1850, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1752,1753,1754,
&end
#
# 116 ALA QB 123 THR HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1752,1753,1754,
&end
#
# 116 ALA QB 123 THR QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1752,1753,1754,
igr2=1866,1867,1868,
&end
#
# 116 ALA QB 124 SER H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1752,1753,1754,
&end
#
# 116 ALA QB 126 VAL H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1752,1753,1754,
&end
#
# 116 ALA QB 126 VAL HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1752,1753,1754,
&end
#
# 116 ALA QB 126 VAL QG1 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1752,1753,1754,
igr2=1906,1907,1908,
&end
#
# 116 ALA QB 126 VAL QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1752,1753,1754,
igr2=1910,1911,1912,
&end
#
# 117 TYR H 118 LEU H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1758,1779, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 117 TYR HA 117 TYR QD 3.36
&rst
ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1766,1775,
&end
#
# 117 TYR HB2 118 LEU H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1762,1779, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 117 TYR HB3 118 LEU H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1763,1779, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 117 TYR QD 118 LEU H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1766,1775,
&end
#
# 117 TYR QD 118 LEU HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1766,1775,
&end
#
# 117 TYR QD 118 LEU QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1766,1775,
igr2=1788,1789,1790,
&end
#
# 117 TYR QD 118 LEU QD2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1766,1775,
igr2=1792,1793,1794,
&end
#
# 118 LEU H 118 LEU QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1788,1789,1790,
&end
#
# 118 LEU H 118 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1792,1793,1794,
&end
#
# 118 LEU H 119 ILE H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1779,1798, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 118 LEU HA 118 LEU QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1788,1789,1790,
&end
#
# 118 LEU HA 118 LEU QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1792,1793,1794,
&end
#
# 119 ILE H 119 ILE HB 3.90
&rst
ixpk= 0, nxpk= 0, iat=1798,1802, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 119 ILE H 119 ILE HG13 4.14
&rst
ixpk= 0, nxpk= 0, iat=1798,1809, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 119 ILE H 119 ILE HG12 4.36
&rst
ixpk= 0, nxpk= 0, iat=1798,1808, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 119 ILE H 119 ILE QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1811,1812,1813,
&end
#
# 119 ILE H 119 ILE QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1804,1805,1806,
&end
#
# 119 ILE H 120 GLU H 3.49
&rst
ixpk= 0, nxpk= 0, iat=1798,1817, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 119 ILE H 120 GLU HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=1798,1819, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 119 ILE H 121 VAL H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1798,1832, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 119 ILE HA 119 ILE QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1811,1812,1813,
&end
#
# 119 ILE HA 119 ILE QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1804,1805,1806,
&end
#
# 119 ILE HB 119 ILE QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1811,1812,1813,
&end
#
# 119 ILE HB 121 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1838,1839,1840,
&end
#
# 119 ILE HB 121 VAL QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1842,1843,1844,
&end
#
# 119 ILE HG13 121 VAL H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1809,1832, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 119 ILE HG13 121 VAL QG1 4.52
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1838,1839,1840,
&end
#
# 119 ILE HG13 121 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1842,1843,1844,
&end
#
# 119 ILE HG12 121 VAL H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1808,1832, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 119 ILE HG12 121 VAL QG1 4.35
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1838,1839,1840,
&end
#
# 119 ILE HG12 121 VAL QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1842,1843,1844,
&end
#
# 119 ILE QD1 120 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1811,1812,1813,
&end
#
# 119 ILE QD1 126 VAL HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1811,1812,1813,
&end
#
# 119 ILE QD1 126 VAL QG1 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1811,1812,1813,
igr2=1906,1907,1908,
&end
#
# 119 ILE QD1 126 VAL QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1811,1812,1813,
igr2=1910,1911,1912,
&end
#
# 119 ILE QG2 119 ILE HG13 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1804,1805,1806,
&end
#
# 119 ILE QG2 119 ILE HG12 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1804,1805,1806,
&end
#
# 119 ILE QG2 119 ILE QD1 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1804,1805,1806,
igr2=1811,1812,1813,
&end
#
# 119 ILE QG2 120 GLU H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1804,1805,1806,
&end
#
# 120 GLU H 120 GLU HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1817,1824, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 120 GLU H 120 GLU HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat=1817,1825, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 120 GLU HA 120 GLU HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1819,1824, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 120 GLU HA 120 GLU HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat=1819,1825, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 120 GLU HA 121 VAL H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1819,1832, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 121 VAL H 121 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1838,1839,1840,
&end
#
# 121 VAL H 121 VAL QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1842,1843,1844,
&end
#
# 121 VAL H 122 ASP H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1832,1848, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 121 VAL HA 121 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1838,1839,1840,
&end
#
# 121 VAL HA 121 VAL QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1842,1843,1844,
&end
#
# 121 VAL HA 122 ASP H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1834,1848, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 121 VAL HB 122 ASP H 3.09
&rst
ixpk= 0, nxpk= 0, iat=1836,1848, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 121 VAL QG1 122 ASP H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1838,1839,1840,
&end
#
# 121 VAL QG2 122 ASP H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1842,1843,1844,
&end
#
# 122 ASP H 125 GLU H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1848,1885, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 122 ASP H 125 GLU HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1848,1892, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 122 ASP H 125 GLU HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat=1848,1893, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 122 ASP H 126 VAL H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1848,1900, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 122 ASP HA 123 THR H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1850,1860, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 122 ASP HB2 125 GLU H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1852,1885, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 122 ASP HB3 125 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1853,1885, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 THR H 123 THR HB 3.45
&rst
ixpk= 0, nxpk= 0, iat=1860,1864, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 123 THR H 123 THR QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1866,1867,1868,
&end
#
# 123 THR HA 123 THR QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1866,1867,1868,
&end
#
# 123 THR HA 126 VAL H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1862,1900, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 123 THR HA 126 VAL HB 4.13
&rst
ixpk= 0, nxpk= 0, iat=1862,1904, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 123 THR HB 124 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1874, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 THR HB 124 SER HA 4.30
&rst
ixpk= 0, nxpk= 0, iat=1864,1876, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 123 THR HB 124 SER QB 4.30
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1878,1879,
&end
#
# 123 THR HB 125 GLU H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1864,1885, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 123 THR QG2 124 SER H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1866,1867,1868,
&end
#
# 123 THR QG2 124 SER HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1876, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1866,1867,1868,
&end
#
# 123 THR QG2 127 GLU HG3 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1866,1867,1868,
&end
#
# 124 SER H 124 SER QB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1878,1879,
&end
#
# 124 SER H 125 GLU H 3.36
&rst
ixpk= 0, nxpk= 0, iat=1874,1885, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 124 SER HA 127 GLU H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1876,1916, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 124 SER HA 127 GLU HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1876,1920, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 124 SER HA 127 GLU HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1876,1921, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 124 SER HA 127 GLU HG3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1876,1924, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 124 SER HA 127 GLU HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat=1876,1923, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 124 SER QB 125 GLU H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1878,1879,
&end
#
# 125 GLU H 125 GLU HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1885,1889, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 125 GLU H 125 GLU HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1885,1890, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 125 GLU H 125 GLU HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1885,1892, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 125 GLU H 125 GLU HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat=1885,1893, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 125 GLU H 127 GLU H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1885,1916, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 125 GLU HA 125 GLU HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1887,1892, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 125 GLU HA 125 GLU HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1887,1893, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 125 GLU HA 129 LEU H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1887,1945, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 126 VAL H 126 VAL HB 3.30
&rst
ixpk= 0, nxpk= 0, iat=1900,1904, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 126 VAL H 126 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1906,1907,1908,
&end
#
# 126 VAL H 126 VAL QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1910,1911,1912,
&end
#
# 126 VAL H 127 GLU H 3.74
&rst
ixpk= 0, nxpk= 0, iat=1900,1916, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 126 VAL HA 126 VAL QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1906,1907,1908,
&end
#
# 126 VAL HA 126 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1910,1911,1912,
&end
#
# 126 VAL HA 127 GLU HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1902,1918, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 126 VAL HA 129 LEU H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1902,1945, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 126 VAL HA 129 LEU QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1954,1955,1956,
&end
#
# 126 VAL HA 129 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1958,1959,1960,
&end
#
# 126 VAL HA 130 VAL QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1974,1975,1976,
&end
#
# 126 VAL HB 127 GLU H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1904,1916, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 126 VAL QG1 127 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1906,1907,1908,
&end
#
# 126 VAL QG2 127 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1910,1911,1912,
&end
#
# 127 GLU H 127 GLU HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat=1916,1920, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 127 GLU H 127 GLU HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat=1916,1921, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 127 GLU H 127 GLU HG3 3.44
&rst
ixpk= 0, nxpk= 0, iat=1916,1924, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 127 GLU H 127 GLU HG2 3.57
&rst
ixpk= 0, nxpk= 0, iat=1916,1923, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 127 GLU H 128 THR H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1916,1931, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 127 GLU H 129 LEU H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1916,1945, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 127 GLU HA 127 GLU HG3 3.56
&rst
ixpk= 0, nxpk= 0, iat=1918,1924, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 127 GLU HA 127 GLU HG2 3.18
&rst
ixpk= 0, nxpk= 0, iat=1918,1923, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 127 GLU HA 130 VAL QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1974,1975,1976,
&end
#
# 127 GLU HB2 128 THR H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1920,1931, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 127 GLU HB3 128 THR H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1921,1931, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 127 GLU HG3 128 THR H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1924,1931, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 127 GLU HG2 128 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1923,1931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 THR H 128 THR HB 3.21
&rst
ixpk= 0, nxpk= 0, iat=1931,1935, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 128 THR H 128 THR QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1937,1938,1939,
&end
#
# 128 THR H 129 LEU H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1931,1945, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 128 THR HA 128 THR QG2 3.04
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1937,1938,1939,
&end
#
# 128 THR HA 131 THR H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1933,1980, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 128 THR HA 131 THR HB 3.58
&rst
ixpk= 0, nxpk= 0, iat=1933,1984, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 128 THR HA 131 THR QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1986,1987,1988,
&end
#
# 128 THR HA 132 GLU H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1933,1994, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 128 THR HB 129 LEU H 3.61
&rst
ixpk= 0, nxpk= 0, iat=1935,1945, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 128 THR QG2 129 LEU H 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1937,1938,1939,
&end
#
# 128 THR QG2 131 THR HB 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1937,1938,1939,
&end
#
# 128 THR QG2 132 GLU HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2001, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1937,1938,1939,
&end
#
# 128 THR QG2 132 GLU HG3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1937,1938,1939,
&end
#
# 129 LEU H 129 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1945,1952, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 LEU H 129 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1954,1955,1956,
&end
#
# 129 LEU H 129 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1958,1959,1960,
&end
#
# 129 LEU H 131 THR H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1945,1980, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 129 LEU HA 129 LEU HG 3.90
&rst
ixpk= 0, nxpk= 0, iat=1947,1952, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 129 LEU HA 129 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1954,1955,1956,
&end
#
# 129 LEU HA 129 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1958,1959,1960,
&end
#
# 129 LEU HA 132 GLU H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1947,1994, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 130 VAL H 130 VAL HB 3.65
&rst
ixpk= 0, nxpk= 0, iat=1964,1968, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 130 VAL H 130 VAL QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1970,1971,1972,
&end
#
# 130 VAL H 130 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1974,1975,1976,
&end
#
# 130 VAL H 131 THR H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1964,1980, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 130 VAL H 132 GLU H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1964,1994, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 130 VAL HA 130 VAL QG1 3.28
&rst
ixpk= 0, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1970,1971,1972,
&end
#
# 130 VAL HA 130 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1974,1975,1976,
&end
#
# 130 VAL HA 133 ALA H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1966,2009, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 130 VAL HA 133 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2013,2014,2015,
&end
#
# 130 VAL HA 134 LEU HG 4.89
&rst
ixpk= 0, nxpk= 0, iat=1966,2026, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 130 VAL HB 131 THR H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1968,1980, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 130 VAL HB 131 THR HA 4.52
&rst
ixpk= 0, nxpk= 0, iat=1968,1982, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 130 VAL QG1 131 THR H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1970,1971,1972,
&end
#
# 130 VAL QG2 131 THR H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1974,1975,1976,
&end
#
# 130 VAL QG2 131 THR HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1974,1975,1976,
&end
#
# 130 VAL QG2 131 THR QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1974,1975,1976,
igr2=1986,1987,1988,
&end
#
# 130 VAL QG2 132 GLU H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1974,1975,1976,
&end
#
# 130 VAL QG2 133 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1974,1975,1976,
igr2=2013,2014,2015,
&end
#
# 131 THR H 131 THR HB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1980,1984, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 131 THR H 131 THR QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1986,1987,1988,
&end
#
# 131 THR H 132 GLU H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1980,1994, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 131 THR HA 131 THR QG2 3.13
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1986,1987,1988,
&end
#
# 131 THR HA 132 GLU HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1982,1996, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 131 THR HA 133 ALA H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1982,2009, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 131 THR HA 134 LEU H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1982,2019, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 131 THR HA 134 LEU HG 4.61
&rst
ixpk= 0, nxpk= 0, iat=1982,2026, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 131 THR HA 134 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2032,2033,2034,
&end
#
# 131 THR HB 132 GLU H 3.64
&rst
ixpk= 0, nxpk= 0, iat=1984,1994, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 131 THR HB 132 GLU HA 4.52
&rst
ixpk= 0, nxpk= 0, iat=1984,1996, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 131 THR QG2 132 GLU H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1986,1987,1988,
&end
#
# 131 THR QG2 132 GLU HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1986,1987,1988,
&end
#
# 131 THR QG2 132 GLU HG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2001, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1986,1987,1988,
&end
#
# 131 THR QG2 132 GLU HG3 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1986,1987,1988,
&end
#
# 131 THR QG2 134 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1=1986,1987,1988,
igr2=2028,2029,2030,
&end
#
# 131 THR QG2 134 LEU QD2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1986,1987,1988,
igr2=2032,2033,2034,
&end
#
# 131 THR QG2 135 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1986,1987,1988,
&end
#
# 131 THR QG2 135 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1986,1987,1988,
igr2=2042,2043,2044,
&end
#
# 132 GLU H 133 ALA H 3.20
&rst
ixpk= 0, nxpk= 0, iat=1994,2009, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 132 GLU H 133 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2013,2014,2015,
&end
#
# 132 GLU H 135 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2042,2043,2044,
&end
#
# 132 GLU HA 135 ALA H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1996,2038, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 132 GLU HA 135 ALA QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=2042,2043,2044,
&end
#
# 132 GLU HA 136 GLU H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1996,2048, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 133 ALA H 133 ALA QB 3.27
&rst
ixpk= 0, nxpk= 0, iat=2009, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2013,2014,2015,
&end
#
# 133 ALA H 134 LEU H 3.63
&rst
ixpk= 0, nxpk= 0, iat=2009,2019, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 133 ALA H 134 LEU QD2 4.83
&rst
ixpk= 0, nxpk= 0, iat=2009, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2032,2033,2034,
&end
#
# 133 ALA QB 134 LEU H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=2013,2014,2015,
&end
#
# 133 ALA QB 134 LEU HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2013,2014,2015,
&end
#
# 133 ALA QB 134 LEU HG 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2026, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2013,2014,2015,
&end
#
# 133 ALA QB 135 ALA H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2013,2014,2015,
&end
#
# 133 ALA QB 136 GLU H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2013,2014,2015,
&end
#
# 134 LEU H 134 LEU HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=2019,2023, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 134 LEU H 134 LEU HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat=2019,2024, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 134 LEU H 134 LEU HG 3.50
&rst
ixpk= 0, nxpk= 0, iat=2019,2026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 LEU H 134 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2028,2029,2030,
&end
#
# 134 LEU H 134 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2032,2033,2034,
&end
#
# 134 LEU H 135 ALA H 3.63
&rst
ixpk= 0, nxpk= 0, iat=2019,2038, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 134 LEU H 135 ALA QB 4.32
&rst
ixpk= 0, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2042,2043,2044,
&end
#
# 134 LEU H 137 ILE HB 4.88
&rst
ixpk= 0, nxpk= 0, iat=2019,2067, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 134 LEU HA 134 LEU HG 4.03
&rst
ixpk= 0, nxpk= 0, iat=2021,2026, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 134 LEU HA 134 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2032,2033,2034,
&end
#
# 134 LEU HA 137 ILE H 4.15
&rst
ixpk= 0, nxpk= 0, iat=2021,2063, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 134 LEU HA 137 ILE HB 4.07
&rst
ixpk= 0, nxpk= 0, iat=2021,2067, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 134 LEU HA 137 ILE QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2069,2070,2071,
&end
#
# 134 LEU HB2 134 LEU QD2 3.93
&rst
ixpk= 0, nxpk= 0, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2032,2033,2034,
&end
#
# 134 LEU HB3 134 LEU QD2 3.93
&rst
ixpk= 0, nxpk= 0, iat=2024, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2032,2033,2034,
&end
#
# 134 LEU HG 135 ALA H 4.02
&rst
ixpk= 0, nxpk= 0, iat=2026,2038, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 134 LEU QD1 135 ALA H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2028,2029,2030,
&end
#
# 134 LEU QD1 136 GLU H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2028,2029,2030,
&end
#
# 134 LEU QD2 135 ALA H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2032,2033,2034,
&end
#
# 135 ALA H 135 ALA QB 2.78
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=2042,2043,2044,
&end
#
# 135 ALA QB 136 GLU H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2042,2043,2044,
&end
#
# 136 GLU H 136 GLU HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat=2048,2052, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 136 GLU H 136 GLU HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat=2048,2053, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 136 GLU H 136 GLU HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=2048,2055, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 136 GLU H 136 GLU HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat=2048,2056, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 136 GLU HA 136 GLU HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat=2050,2055, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 136 GLU HA 136 GLU HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat=2050,2056, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 136 GLU HA 139 LYS QB 3.44
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2101,2102,
&end
#
# 136 GLU HA 139 LYS QD 3.81
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2107,2108,
&end
#
# 136 GLU HA 139 LYS QE 4.06
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2110,2111,
&end
#
# 136 GLU HA 140 GLN HE21 4.32
&rst
ixpk= 0, nxpk= 0, iat=2050,2132, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 136 GLU HA 140 GLN HE22 5.11
&rst
ixpk= 0, nxpk= 0, iat=2050,2131, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 137 ILE H 137 ILE HB 3.26
&rst
ixpk= 0, nxpk= 0, iat=2063,2067, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 137 ILE H 137 ILE HG12 4.14
&rst
ixpk= 0, nxpk= 0, iat=2063,2073, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 137 ILE H 137 ILE HG13 4.14
&rst
ixpk= 0, nxpk= 0, iat=2063,2074, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 137 ILE H 137 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2076,2077,2078,
&end
#
# 137 ILE H 137 ILE QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=2069,2070,2071,
&end
#
# 137 ILE HA 137 ILE HG12 4.12
&rst
ixpk= 0, nxpk= 0, iat=2065,2073, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 137 ILE HA 137 ILE HG13 4.12
&rst
ixpk= 0, nxpk= 0, iat=2065,2074, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 137 ILE HA 137 ILE QD1 3.88
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2076,2077,2078,
&end
#
# 137 ILE HA 137 ILE QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2069,2070,2071,
&end
#
# 137 ILE HA 140 GLN H 4.73
&rst
ixpk= 0, nxpk= 0, iat=2065,2119, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 137 ILE HA 140 GLN HE22 5.70
&rst
ixpk= 0, nxpk= 0, iat=2065,2131, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 137 ILE HA 141 THR H 4.24
&rst
ixpk= 0, nxpk= 0, iat=2065,2136, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 137 ILE HB 137 ILE QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2076,2077,2078,
&end
#
# 137 ILE QD1 140 GLN HG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2076,2077,2078,
&end
#
# 137 ILE QD1 140 GLN HG3 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2076,2077,2078,
&end
#
# 137 ILE QD1 141 THR H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2076,2077,2078,
&end
#
# 137 ILE QD1 141 THR QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=2076,2077,2078,
igr2=2142,2143,2144,
&end
#
# 137 ILE QG2 137 ILE HG12 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2069,2070,2071,
&end
#
# 137 ILE QG2 137 ILE HG13 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2069,2070,2071,
&end
#
# 137 ILE QG2 137 ILE QD1 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2069,2070,2071,
igr2=2076,2077,2078,
&end
#
# 137 ILE QG2 141 THR H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2069,2070,2071,
&end
#
# 139 LYS H 139 LYS QB 3.02
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=2101,2102,
&end
#
# 139 LYS H 139 LYS QD 4.51
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2107,2108,
&end
#
# 139 LYS H 140 GLN H 2.96
&rst
ixpk= 0, nxpk= 0, iat=2097,2119, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 139 LYS H 140 GLN HE21 4.72
&rst
ixpk= 0, nxpk= 0, iat=2097,2132, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 139 LYS H 141 THR H 4.69
&rst
ixpk= 0, nxpk= 0, iat=2097,2136, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 139 LYS HA 139 LYS QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2101,2102,
&end
#
# 139 LYS HA 139 LYS QD 4.21
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2107,2108,
&end
#
# 139 LYS HA 140 GLN H 3.55
&rst
ixpk= 0, nxpk= 0, iat=2099,2119, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 139 LYS HG2 139 LYS QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2107,2108,
&end
#
# 139 LYS HG2 139 LYS QE 3.58
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2110,2111,
&end
#
# 139 LYS HG3 139 LYS QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=2105, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2107,2108,
&end
#
# 139 LYS HG3 139 LYS QE 3.58
&rst
ixpk= 0, nxpk= 0, iat=2105, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2110,2111,
&end
#
# 139 LYS QB 139 LYS QD 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=2101,2102,
igr2=2107,2108,
&end
#
# 139 LYS QB 139 LYS QE 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2101,2102,
igr2=2110,2111,
&end
#
# 139 LYS QB 140 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2101,2102,
&end
#
# 139 LYS QD 140 GLN HE21 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2107,2108,
&end
#
# 140 GLN H 140 GLN HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat=2119,2123, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 140 GLN H 140 GLN HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=2119,2124, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 140 GLN H 140 GLN HE21 4.66
&rst
ixpk= 0, nxpk= 0, iat=2119,2132, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 140 GLN H 140 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat=2119,2131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 GLN H 140 GLN HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat=2119,2126, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 140 GLN H 140 GLN HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat=2119,2127, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 140 GLN H 142 ARG QD 5.74
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2160,2161,
&end
#
# 140 GLN HA 140 GLN HG2 3.89
&rst
ixpk= 0, nxpk= 0, iat=2121,2126, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 140 GLN HA 140 GLN HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat=2121,2127, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 140 GLN HA 142 ARG QD 3.80
&rst
ixpk= 0, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2160,2161,
&end
#
# 140 GLN HB2 141 THR H 4.30
&rst
ixpk= 0, nxpk= 0, iat=2123,2136, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 140 GLN HB3 141 THR H 4.30
&rst
ixpk= 0, nxpk= 0, iat=2124,2136, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 141 THR H 141 THR QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=2142,2143,2144,
&end
#
# 141 THR HA 141 THR HB 2.80
&rst
ixpk= 0, nxpk= 0, iat=2138,2140, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 141 THR HA 141 THR QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=2142,2143,2144,
&end
#
# 141 THR QG2 142 ARG H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2142,2143,2144,
&end
#
# 141 THR QG2 142 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2142,2143,2144,
igr2=2160,2161,
&end
#
# 142 ARG H 142 ARG QB 3.29
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=2154,2155,
&end
#
# 142 ARG H 142 ARG QD 4.26
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2160,2161,
&end
#
# 142 ARG H 142 ARG QG 3.69
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2157,2158,
&end
#
# 142 ARG HA 142 ARG QG 3.54
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=2157,2158,
&end
#
# 142 ARG HA 143 ALA H 3.50
&rst
ixpk= 0, nxpk= 0, iat=2152,2174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 142 ARG QB 142 ARG QD 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=2154,2155,
igr2=2160,2161,
&end
#
# 142 ARG QB 142 ARG QG 2.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1=2154,2155,
igr2=2157,2158,
&end
#
# 142 ARG QB 143 ALA H 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=2154,2155,
&end
#
# 142 ARG QG 142 ARG QD 2.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2157,2158,
igr2=2160,2161,
&end
#
# 143 ALA H 143 ALA QB 3.03
&rst
ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=2178,2179,2180,
&end
#
# 145 GLU H 146 LEU HA 5.20
&rst
ixpk= 0, nxpk= 0, iat=2203,2220, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 146 LEU HA 147 VAL H 2.77
&rst
ixpk= 0, nxpk= 0, iat=2220,2237, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 146 LEU HG 147 VAL H 3.61
&rst
ixpk= 0, nxpk= 0, iat=2225,2237, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 147 VAL H 148 PRO HD2 4.71
&rst
ixpk= 0, nxpk= 0, iat=2237,2254, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 147 VAL H 148 PRO HD3 4.98
&rst
ixpk= 0, nxpk= 0, iat=2237,2255, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 149 ARG HA 150 GLY H 3.15
&rst
ixpk= 0, nxpk= 0, iat=2269,2291, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 160 ASP HA 161 LEU H 3.36
&rst
ixpk= 0, nxpk= 0, iat=2452,2462, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 161 LEU H 161 LEU HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=2462,2466, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 161 LEU H 161 LEU HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat=2462,2467, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 161 LEU HA 162 PRO HD2 3.28
&rst
ixpk= 0, nxpk= 0, iat=2464,2482, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 161 LEU HA 162 PRO HD3 3.28
&rst
ixpk= 0, nxpk= 0, iat=2464,2483, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 163 GLY QA 164 ASN HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2497,2498,
&end
#
# 163 GLY QA 164 ASN HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2507, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2497,2498,
&end
#
# 166 ASP H 167 LYS HA 4.85
&rst
ixpk= 0, nxpk= 0, iat=2538,2552, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 168 LYS H 169 ALA H 2.91
&rst
ixpk= 0, nxpk= 0, iat=2572,2594, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 169 ALA QB 170 SER HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2606, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=2598,2599,2600,
&end
#
# 172 LYS HA 172 LYS QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=2628, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2636,2637,
&end
#
# 175 PRO HA 176 ALA H 3.45
&rst
ixpk= 0, nxpk= 0, iat=2691,2695, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 175 PRO HA 176 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat=2691, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2699,2700,2701,
&end
#
# 176 ALA H 176 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat=2695, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2699,2700,2701,
&end
#
# 176 ALA HA 177 LYS H 3.45
&rst
ixpk= 0, nxpk= 0, iat=2697,2705, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 176 ALA QB 177 LYS HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=2699,2700,2701,
&end
#
# 176 ALA QB 177 LYS QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2699,2700,2701,
igr2=2715,2716,
&end
#
# 176 ALA QB 178 VAL H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2727, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=2699,2700,2701,
&end
#
# 176 ALA QB 178 VAL QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2699,2700,2701,
igr2=2733,2734,2735,
&end
#
# 176 ALA QB 178 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2699,2700,2701,
igr2=2737,2738,2739,
&end
#
# 177 LYS HA 177 LYS QD 3.89
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2715,2716,
&end
#
# 177 LYS HA 178 VAL H 3.50
&rst
ixpk= 0, nxpk= 0, iat=2707,2727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 177 LYS QD 177 LYS QE 2.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr1=2715,2716,
igr2=2718,2719,
&end
#
# 178 VAL H 178 VAL HB 4.06
&rst
ixpk= 0, nxpk= 0, iat=2727,2731, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 178 VAL H 178 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2727, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2733,2734,2735,
&end
#
# 178 VAL H 178 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2727, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2737,2738,2739,
&end
#
# 178 VAL HA 178 VAL QG1 3.62
&rst
ixpk= 0, nxpk= 0, iat=2729, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=2733,2734,2735,
&end
#
# 178 VAL HA 178 VAL QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat=2729, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=2737,2738,2739,
&end
#
# 178 VAL HA 179 GLN H 3.51
&rst
ixpk= 0, nxpk= 0, iat=2729,2743, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 178 VAL HB 179 GLN QG 4.66
&rst
ixpk= 0, nxpk= 0, iat=2731, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2750,2751,
&end
#
# 179 GLN HA 179 GLN QG 3.80
&rst
ixpk= 0, nxpk= 0, iat=2745, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2750,2751,
&end
#
# 181 LYS HA 181 LYS QE 5.11
&rst
ixpk= 0, nxpk= 0, iat=2773, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2784,2785,
&end
#
# 182 ASP H 183 ARG H 4.89
&rst
ixpk= 0, nxpk= 0, iat=2793,2805, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 183 ARG H 183 ARG HG2 5.19
&rst
ixpk= 0, nxpk= 0, iat=2805,2812, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 183 ARG H 183 ARG HG3 5.19
&rst
ixpk= 0, nxpk= 0, iat=2805,2813, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 183 ARG HA 183 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=2807, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2815,2816,
&end
#
# 183 ARG HB2 183 ARG QD 3.83
&rst
ixpk= 0, nxpk= 0, iat=2809, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2815,2816,
&end
#
# 183 ARG HB3 183 ARG QD 3.83
&rst
ixpk= 0, nxpk= 0, iat=2810, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2815,2816,
&end
#
# 184 ASP HA 187 ALA QB 5.39
&rst
ixpk= 0, nxpk= 0, iat=2831, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2869,2870,2871,
&end
#
# 184 ASP HA 188 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2831, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2879,2880,2881,
&end
#
# 184 ASP HB2 187 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat=2833, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2869,2870,2871,
&end
#
# 184 ASP HB3 187 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2869,2870,2871,
&end
#
# 185 MET H 187 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2841, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2869,2870,2871,
&end
#
# 185 MET HA 185 MET QE 4.36
&rst
ixpk= 0, nxpk= 0, iat=2843, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2852,2853,2854,
&end
#
# 185 MET HA 187 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat=2843, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2869,2870,2871,
&end
#
# 185 MET HA 188 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat=2843,2875, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 185 MET HA 188 ALA QB 3.95
&rst
ixpk= 0, nxpk= 0, iat=2843, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2879,2880,2881,
&end
#
# 185 MET HB2 185 MET QE 5.16
&rst
ixpk= 0, nxpk= 0, iat=2845, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=2852,2853,2854,
&end
#
# 185 MET HB3 185 MET QE 5.16
&rst
ixpk= 0, nxpk= 0, iat=2846, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=2852,2853,2854,
&end
#
# 185 MET HG2 185 MET QE 4.39
&rst
ixpk= 0, nxpk= 0, iat=2848, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2852,2853,2854,
&end
#
# 185 MET HG3 185 MET QE 4.39
&rst
ixpk= 0, nxpk= 0, iat=2849, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2852,2853,2854,
&end
#
# 185 MET QE 188 ALA HA 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2877, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=2852,2853,2854,
&end
#
# 185 MET QE 188 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2852,2853,2854,
igr2=2879,2880,2881,
&end
#
# 185 MET QE 189 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2885, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2852,2853,2854,
&end
#
# 185 MET QE 189 LEU HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2887, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2852,2853,2854,
&end
#
# 185 MET QE 189 LEU QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=2852,2853,2854,
igr2=2894,2895,2896,
&end
#
# 185 MET QE 189 LEU QD2 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=2852,2853,2854,
igr2=2898,2899,2900,
&end
#
# 186 GLY H 187 ALA H 3.91
&rst
ixpk= 0, nxpk= 0, iat=2858,2865, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 186 GLY H 187 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat=2858, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2869,2870,2871,
&end
#
# 187 ALA H 187 ALA QB 3.38
&rst
ixpk= 0, nxpk= 0, iat=2865, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2869,2870,2871,
&end
#
# 187 ALA H 188 ALA HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=2865,2877, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 187 ALA QB 188 ALA H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2875, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=2869,2870,2871,
&end
#
# 188 ALA H 188 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat=2875, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2879,2880,2881,
&end
#
# 188 ALA H 189 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat=2875,2885, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 188 ALA HA 191 SER H 4.62
&rst
ixpk= 0, nxpk= 0, iat=2877,2928, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 188 ALA QB 189 LEU H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2885, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=2879,2880,2881,
&end
#
# 188 ALA QB 189 LEU HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2887, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2879,2880,2881,
&end
#
# 188 ALA QB 189 LEU QD1 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1=2879,2880,2881,
igr2=2894,2895,2896,
&end
#
# 188 ALA QB 189 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1=2879,2880,2881,
igr2=2898,2899,2900,
&end
#
# 188 ALA QB 190 ARG H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2904, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2879,2880,2881,
&end
#
# 188 ALA QB 191 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2932, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2879,2880,2881,
&end
#
# 188 ALA QB 191 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2879,2880,2881,
&end
#
# 189 LEU H 189 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=2885, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2894,2895,2896,
&end
#
# 189 LEU H 189 LEU QD2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2885, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2898,2899,2900,
&end
#
# 189 LEU H 190 ARG H 4.38
&rst
ixpk= 0, nxpk= 0, iat=2885,2904, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 189 LEU HA 189 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=2887, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2894,2895,2896,
&end
#
# 189 LEU HA 189 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat=2887, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2898,2899,2900,
&end
#
# 190 ARG H 191 SER H 4.60
&rst
ixpk= 0, nxpk= 0, iat=2904,2928, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 191 SER H 191 SER HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat=2928,2932, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 191 SER H 191 SER HB3 3.56
&rst
ixpk= 0, nxpk= 0, iat=2928,2933, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 191 SER H 192 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat=2928,2939, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 191 SER H 192 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2928, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2943,2944,2945,
&end
#
# 191 SER HA 194 GLN H 4.94
&rst
ixpk= 0, nxpk= 0, iat=2930,2970, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 191 SER HA 194 GLN HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat=2930,2974, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 191 SER HA 194 GLN HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat=2930,2975, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 192 ALA H 192 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat=2939, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2943,2944,2945,
&end
#
# 192 ALA H 193 TYR H 4.00
&rst
ixpk= 0, nxpk= 0, iat=2939,2949, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 192 ALA QB 193 TYR H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2949, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2943,2944,2945,
&end
#
# 192 ALA QB 193 TYR QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=2943,2944,2945,
igr2=2957,2966,
&end
#
# 192 ALA QB 193 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2943,2944,2945,
igr2=2959,2964,
&end
#
# 193 TYR HA 196 THR HB 4.59
&rst
ixpk= 0, nxpk= 0, iat=2951,3013, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 194 GLN HA 197 ILE H 4.91
&rst
ixpk= 0, nxpk= 0, iat=2972,3023, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 194 GLN HE21 198 GLU HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=2983,3044, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 194 GLN HE22 198 GLU HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=2982,3044, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 195 LYS H 195 LYS HG2 4.93
&rst
ixpk= 0, nxpk= 0, iat=2987,2994, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 195 LYS H 195 LYS HG3 4.93
&rst
ixpk= 0, nxpk= 0, iat=2987,2995, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 195 LYS H 195 LYS QD 5.40
&rst
ixpk= 0, nxpk= 0, iat=2987, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2997,2998,
&end
#
# 195 LYS H 196 THR H 4.02
&rst
ixpk= 0, nxpk= 0, iat=2987,3009, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 195 LYS HA 198 GLU H 4.81
&rst
ixpk= 0, nxpk= 0, iat=2989,3042, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 195 LYS HA 198 GLU QG 5.25
&rst
ixpk= 0, nxpk= 0, iat=2989, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=3049,3050,
&end
#
# 195 LYS QB 196 THR H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,3009, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2991,2992,
&end
#
# 196 THR H 196 THR HB 3.67
&rst
ixpk= 0, nxpk= 0, iat=3009,3013, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 196 THR H 196 THR QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat=3009, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=3015,3016,3017,
&end
#
# 196 THR H 197 ILE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=3009,3023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 196 THR H 198 GLU H 4.30
&rst
ixpk= 0, nxpk= 0, iat=3009,3042, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 196 THR HB 197 ILE H 4.77
&rst
ixpk= 0, nxpk= 0, iat=3013,3023, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 196 THR QG2 197 ILE H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,3023, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=3015,3016,3017,
&end
#
# 196 THR QG2 197 ILE HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,3025, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=3015,3016,3017,
&end
#
# 196 THR QG2 197 ILE HB 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,3027, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3015,3016,3017,
&end
#
# 197 ILE H 197 ILE QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=3036,3037,3038,
&end
#
# 197 ILE H 197 ILE QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=3029,3030,3031,
&end
#
# 197 ILE H 198 GLU H 3.27
&rst
ixpk= 0, nxpk= 0, iat=3023,3042, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 197 ILE HA 197 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=3025, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=3036,3037,3038,
&end
#
# 197 ILE HA 197 ILE QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat=3025, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=3029,3030,3031,
&end
#
# 197 ILE HB 197 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat=3027, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=3036,3037,3038,
&end
#
# 197 ILE HB 198 GLU H 4.60
&rst
ixpk= 0, nxpk= 0, iat=3027,3042, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 197 ILE QG2 197 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=3029,3030,3031,
igr2=3036,3037,3038,
&end
#
# 197 ILE QG2 198 GLU HA 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,3044, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=3029,3030,3031,
&end
#
# 198 GLU H 198 GLU QG 4.59
&rst
ixpk= 0, nxpk= 0, iat=3042, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=3049,3050,
&end
#
# 198 GLU HA 198 GLU QG 4.02
&rst
ixpk= 0, nxpk= 0, iat=3044, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=3049,3050,
&end
#
# 199 GLU H 199 GLU QB 3.91
&rst
ixpk= 0, nxpk= 0, iat=3057, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=3061,3062,
&end
#
# 199 GLU H 200 GLN H 5.17
&rst
ixpk= 0, nxpk= 0, iat=3057,3072, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 199 GLU HG2 200 GLN H 4.74
&rst
ixpk= 0, nxpk= 0, iat=3064,3072, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 199 GLU HG3 200 GLN H 4.74
&rst
ixpk= 0, nxpk= 0, iat=3065,3072, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 199 GLU QB 200 GLN H 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,3072, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=3061,3062,
&end
#
# 200 GLN H 200 GLN HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat=3072,3076, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 200 GLN H 200 GLN HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat=3072,3077, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 200 GLN H 200 GLN QG 4.33
&rst
ixpk= 0, nxpk= 0, iat=3072, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=3079,3080,
&end
#
# 200 GLN HA 200 GLN QG 3.77
&rst
ixpk= 0, nxpk= 0, iat=3074, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=3079,3080,
&end
#
# 200 GLN HA 201 VAL H 3.07
&rst
ixpk= 0, nxpk= 0, iat=3074,3089, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 200 GLN HA 201 VAL HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=3074,3091, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 200 GLN HA 201 VAL QG1 4.54
&rst
ixpk= 0, nxpk= 0, iat=3074, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=3095,3096,3097,
&end
#
# 200 GLN QG 201 VAL H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3089, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=3079,3080,
&end
#
# 200 GLN QG 201 VAL QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=3079,3080,
igr2=3099,3100,3101,
&end
#
# 201 VAL H 201 VAL HB 3.79
&rst
ixpk= 0, nxpk= 0, iat=3089,3093, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 201 VAL H 201 VAL QG1 3.41
&rst
ixpk= 0, nxpk= 0, iat=3089, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=3095,3096,3097,
&end
#
# 201 VAL H 201 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=3089, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=3099,3100,3101,
&end
#
# 201 VAL HA 201 VAL QG1 3.46
&rst
ixpk= 0, nxpk= 0, iat=3091, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=3095,3096,3097,
&end
#
# 201 VAL HB 205 MET QE 5.32
&rst
ixpk= 0, nxpk= 0, iat=3093, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=3157,3158,3159,
&end
#
# 201 VAL QG1 202 PRO HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,3115, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=3095,3096,3097,
&end
#
# 201 VAL QG1 202 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3109, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3095,3096,3097,
&end
#
# 201 VAL QG1 202 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3110, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3095,3096,3097,
&end
#
# 201 VAL QG1 202 PRO QB 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=3095,3096,3097,
igr2=3112,3113,
&end
#
# 202 PRO HA 203 ASP H 3.32
&rst
ixpk= 0, nxpk= 0, iat=3115,3119, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 202 PRO HA 203 ASP HA 5.30
&rst
ixpk= 0, nxpk= 0, iat=3115,3121, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 202 PRO HA 204 GLU H 4.86
&rst
ixpk= 0, nxpk= 0, iat=3115,3131, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 202 PRO HA 204 GLU HG2 5.19
&rst
ixpk= 0, nxpk= 0, iat=3115,3138, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 202 PRO QB 203 ASP H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,3119, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=3112,3113,
&end
#
# 202 PRO QB 204 GLU HG3 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,3139, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=3112,3113,
&end
#
# 202 PRO QB 205 MET H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,3146, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=3112,3113,
&end
#
# 203 ASP H 204 GLU H 4.30
&rst
ixpk= 0, nxpk= 0, iat=3119,3131, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 203 ASP HA 204 GLU HG2 5.27
&rst
ixpk= 0, nxpk= 0, iat=3121,3138, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 203 ASP HA 205 MET H 5.44
&rst
ixpk= 0, nxpk= 0, iat=3121,3146, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 203 ASP HA 205 MET QB 5.01
&rst
ixpk= 0, nxpk= 0, iat=3121, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=3150,3151,
&end
#
# 203 ASP HA 206 LEU HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat=3121,3167, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 203 ASP HA 206 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat=3121,3170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 203 ASP HA 206 LEU QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat=3121, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=3172,3173,3174,
&end
#
# 203 ASP HA 206 LEU QD2 5.40
&rst
ixpk= 0, nxpk= 0, iat=3121, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=3176,3177,3178,
&end
#
# 203 ASP HA 207 ASP H 4.86
&rst
ixpk= 0, nxpk= 0, iat=3121,3182, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 203 ASP HB2 204 GLU H 5.07
&rst
ixpk= 0, nxpk= 0, iat=3123,3131, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 203 ASP HB3 204 GLU H 5.07
&rst
ixpk= 0, nxpk= 0, iat=3124,3131, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 204 GLU H 204 GLU HG2 4.26
&rst
ixpk= 0, nxpk= 0, iat=3131,3138, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 204 GLU H 204 GLU HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat=3131,3139, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 204 GLU H 204 GLU QB 3.67
&rst
ixpk= 0, nxpk= 0, iat=3131, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=3135,3136,
&end
#
# 204 GLU H 205 MET H 4.32
&rst
ixpk= 0, nxpk= 0, iat=3131,3146, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 204 GLU HA 204 GLU HG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=3133,3138, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 204 GLU HA 204 GLU HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat=3133,3139, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 204 GLU HA 206 LEU H 5.12
&rst
ixpk= 0, nxpk= 0, iat=3133,3163, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 204 GLU HA 206 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat=3133,3167, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 204 GLU HA 207 ASP H 4.49
&rst
ixpk= 0, nxpk= 0, iat=3133,3182, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 204 GLU HA 207 ASP HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat=3133,3186, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 204 GLU HA 207 ASP HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat=3133,3187, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 204 GLU HG2 205 MET H 4.73
&rst
ixpk= 0, nxpk= 0, iat=3138,3146, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 204 GLU HG3 205 MET H 4.51
&rst
ixpk= 0, nxpk= 0, iat=3139,3146, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 204 GLU HG3 205 MET HA 4.58
&rst
ixpk= 0, nxpk= 0, iat=3139,3148, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 204 GLU HG3 205 MET QB 4.82
&rst
ixpk= 0, nxpk= 0, iat=3139, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=3150,3151,
&end
#
# 204 GLU HG3 205 MET QG 4.13
&rst
ixpk= 0, nxpk= 0, iat=3139, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=3153,3154,
&end
#
# 204 GLU HG3 208 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=3139, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3203,3204,3205,
&end
#
# 204 GLU HG3 208 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3139, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3207,3208,3209,
&end
#
# 204 GLU QB 205 MET H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,3146, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=3135,3136,
&end
#
# 205 MET H 205 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=3146, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3157,3158,3159,
&end
#
# 205 MET H 205 MET QG 4.97
&rst
ixpk= 0, nxpk= 0, iat=3146, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=3153,3154,
&end
#
# 205 MET H 206 LEU HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat=3146,3167, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 205 MET H 208 LEU HG 5.30
&rst
ixpk= 0, nxpk= 0, iat=3146,3201, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 205 MET HA 205 MET QE 5.21
&rst
ixpk= 0, nxpk= 0, iat=3148, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=3157,3158,3159,
&end
#
# 205 MET HA 208 LEU H 5.01
&rst
ixpk= 0, nxpk= 0, iat=3148,3194, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 205 MET HA 208 LEU HG 5.38
&rst
ixpk= 0, nxpk= 0, iat=3148,3201, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 205 MET HA 208 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=3148, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=3203,3204,3205,
&end
#
# 205 MET HA 208 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat=3148, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=3207,3208,3209,
&end
#
# 205 MET QE 206 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3170, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3157,3158,3159,
&end
#
# 205 MET QG 205 MET QE 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=3153,3154,
igr2=3157,3158,3159,
&end
#
# 206 LEU H 206 LEU HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=3163,3168, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 206 LEU H 206 LEU HG 3.85
&rst
ixpk= 0, nxpk= 0, iat=3163,3170, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 206 LEU H 207 ASP H 4.02
&rst
ixpk= 0, nxpk= 0, iat=3163,3182, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 206 LEU H 208 LEU H 4.99
&rst
ixpk= 0, nxpk= 0, iat=3163,3194, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 206 LEU H 209 LEU HG 5.80
&rst
ixpk= 0, nxpk= 0, iat=3163,3220, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 206 LEU HA 206 LEU HG 3.55
&rst
ixpk= 0, nxpk= 0, iat=3165,3170, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 206 LEU HA 207 ASP HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=3165,3184, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 206 LEU HB2 207 ASP H 4.72
&rst
ixpk= 0, nxpk= 0, iat=3167,3182, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 206 LEU HB3 207 ASP H 4.54
&rst
ixpk= 0, nxpk= 0, iat=3168,3182, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 206 LEU HB3 210 ASN HD21 5.84
&rst
ixpk= 0, nxpk= 0, iat=3168,3242, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 206 LEU HG 207 ASP H 5.20
&rst
ixpk= 0, nxpk= 0, iat=3170,3182, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 206 LEU QD1 207 ASP H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,3182, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=3172,3173,3174,
&end
#
# 206 LEU QD2 207 ASP H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,3182, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=3176,3177,3178,
&end
#
# 207 ASP H 207 ASP HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat=3182,3186, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 207 ASP H 207 ASP HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat=3182,3187, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 207 ASP H 209 LEU H 5.08
&rst
ixpk= 0, nxpk= 0, iat=3182,3213, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 207 ASP HA 209 LEU H 5.22
&rst
ixpk= 0, nxpk= 0, iat=3184,3213, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 207 ASP HA 210 ASN H 4.51
&rst
ixpk= 0, nxpk= 0, iat=3184,3232, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 207 ASP HA 210 ASN HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat=3184,3236, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 207 ASP HA 210 ASN HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=3184,3237, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 207 ASP HA 210 ASN HD22 5.20
&rst
ixpk= 0, nxpk= 0, iat=3184,3241, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 207 ASP HA 210 ASN HD21 4.42
&rst
ixpk= 0, nxpk= 0, iat=3184,3242, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 207 ASP HB2 208 LEU H 3.99
&rst
ixpk= 0, nxpk= 0, iat=3186,3194, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 207 ASP HB3 208 LEU H 3.99
&rst
ixpk= 0, nxpk= 0, iat=3187,3194, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 208 LEU H 208 LEU HG 4.00
&rst
ixpk= 0, nxpk= 0, iat=3194,3201, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 208 LEU H 208 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=3194, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=3203,3204,3205,
&end
#
# 208 LEU H 208 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=3194, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=3207,3208,3209,
&end
#
# 208 LEU H 209 LEU HG 5.70
&rst
ixpk= 0, nxpk= 0, iat=3194,3220, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 208 LEU H 210 ASN H 5.25
&rst
ixpk= 0, nxpk= 0, iat=3194,3232, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 208 LEU HA 208 LEU QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat=3196, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=3203,3204,3205,
&end
#
# 208 LEU HA 208 LEU QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat=3196, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=3207,3208,3209,
&end
#
# 208 LEU HA 211 LYS H 4.92
&rst
ixpk= 0, nxpk= 0, iat=3196,3246, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 208 LEU HA 211 LYS HG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=3196,3253, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 208 LEU HA 211 LYS HG3 5.07
&rst
ixpk= 0, nxpk= 0, iat=3196,3254, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 208 LEU HA 211 LYS QE 5.04
&rst
ixpk= 0, nxpk= 0, iat=3196, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=3259,3260,
&end
#
# 208 LEU HG 209 LEU H 4.18
&rst
ixpk= 0, nxpk= 0, iat=3201,3213, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 208 LEU HG 210 ASN H 5.70
&rst
ixpk= 0, nxpk= 0, iat=3201,3232, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 208 LEU QD1 211 LYS QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=3203,3204,3205,
igr2=3259,3260,
&end
#
# 208 LEU QD2 211 LYS QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=3207,3208,3209,
igr2=3259,3260,
&end
#
# 209 LEU H 209 LEU HG 4.24
&rst
ixpk= 0, nxpk= 0, iat=3213,3220, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 209 LEU H 209 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat=3213, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=3222,3223,3224,
&end
#
# 209 LEU H 209 LEU QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat=3213, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=3226,3227,3228,
&end
#
# 209 LEU H 210 ASN H 4.41
&rst
ixpk= 0, nxpk= 0, iat=3213,3232, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 209 LEU HA 209 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=3215, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=3222,3223,3224,
&end
#
# 209 LEU HA 209 LEU QD2 4.83
&rst
ixpk= 0, nxpk= 0, iat=3215, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=3226,3227,3228,
&end
#
# 209 LEU HA 212 LEU H 5.14
&rst
ixpk= 0, nxpk= 0, iat=3215,3268, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 209 LEU HA 212 LEU HG 4.97
&rst
ixpk= 0, nxpk= 0, iat=3215,3275, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 209 LEU HA 213 ALA H 5.08
&rst
ixpk= 0, nxpk= 0, iat=3215,3287, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 209 LEU HB2 210 ASN H 4.86
&rst
ixpk= 0, nxpk= 0, iat=3217,3232, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 209 LEU HB3 210 ASN H 5.06
&rst
ixpk= 0, nxpk= 0, iat=3218,3232, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 209 LEU HB3 213 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=3218,3289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 209 LEU QD1 210 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3222,3223,3224,
&end
#
# 209 LEU QD1 213 ALA H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,3287, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=3222,3223,3224,
&end
#
# 209 LEU QD2 210 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3226,3227,3228,
&end
#
# 209 LEU QD2 213 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3287, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3226,3227,3228,
&end
#
# 210 ASN H 210 ASN HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat=3232,3236, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 210 ASN H 210 ASN HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat=3232,3237, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 210 ASN H 210 ASN HD21 5.42
&rst
ixpk= 0, nxpk= 0, iat=3232,3242, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 210 ASN H 211 LYS H 3.90
&rst
ixpk= 0, nxpk= 0, iat=3232,3246, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 210 ASN H 212 LEU H 5.17
&rst
ixpk= 0, nxpk= 0, iat=3232,3268, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 210 ASN HA 211 LYS HA 5.10
&rst
ixpk= 0, nxpk= 0, iat=3234,3248, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 210 ASN HA 212 LEU H 4.90
&rst
ixpk= 0, nxpk= 0, iat=3234,3268, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 210 ASN HB2 211 LYS H 4.37
&rst
ixpk= 0, nxpk= 0, iat=3236,3246, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 210 ASN HB3 211 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat=3237,3246, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 210 ASN HB3 211 LYS HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=3237,3248, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 211 LYS H 211 LYS HG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=3246,3253, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 211 LYS H 211 LYS HG3 4.48
&rst
ixpk= 0, nxpk= 0, iat=3246,3254, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 212 LEU H 212 LEU HG 4.56
&rst
ixpk= 0, nxpk= 0, iat=3268,3275, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 212 LEU H 212 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=3268, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3277,3278,3279,
&end
#
# 212 LEU H 212 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=3268, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3281,3282,3283,
&end
#
# 212 LEU H 213 ALA HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=3268,3289, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 212 LEU H 213 ALA QB 5.09
&rst
ixpk= 0, nxpk= 0, iat=3268, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=3291,3292,3293,
&end
#
# 212 LEU HA 213 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=3270,3289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 212 LEU HA 213 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat=3270, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=3291,3292,3293,
&end
#
# 213 ALA H 213 ALA QB 3.14
&rst
ixpk= 0, nxpk= 0, iat=3287, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=3291,3292,3293,
&end
#
# 214 LEU H 214 LEU HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat=3297,3301, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 214 LEU H 214 LEU HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat=3297,3302, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 214 LEU H 215 GLU H 4.39
&rst
ixpk= 0, nxpk= 0, iat=3297,3316, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 214 LEU HA 215 GLU H 3.07
&rst
ixpk= 0, nxpk= 0, iat=3299,3316, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 215 GLU H 215 GLU HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat=3316,3320, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 215 GLU H 215 GLU HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=3316,3321, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 215 GLU H 215 GLU HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat=3316,3323, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 215 GLU H 215 GLU HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat=3316,3324, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 215 GLU HA 216 LEU H 3.11
&rst
ixpk= 0, nxpk= 0, iat=3318,3331, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 215 GLU HG2 216 LEU H 5.14
&rst
ixpk= 0, nxpk= 0, iat=3323,3331, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 215 GLU HG3 216 LEU H 5.14
&rst
ixpk= 0, nxpk= 0, iat=3324,3331, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 216 LEU H 216 LEU HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat=3331,3335, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 216 LEU H 216 LEU HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=3331,3336, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 216 LEU H 217 VAL H 4.49
&rst
ixpk= 0, nxpk= 0, iat=3331,3350, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 216 LEU HB2 217 VAL H 4.35
&rst
ixpk= 0, nxpk= 0, iat=3335,3350, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 216 LEU HB3 217 VAL H 4.35
&rst
ixpk= 0, nxpk= 0, iat=3336,3350, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 217 VAL H 217 VAL HB 3.31
&rst
ixpk= 0, nxpk= 0, iat=3350,3354, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 217 VAL H 217 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat=3350, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=3356,3357,3358,
&end
#
# 217 VAL H 217 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=3350, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=3360,3361,3362,
&end
#
# 217 VAL HA 217 VAL QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat=3352, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=3356,3357,3358,
&end
#
# 217 VAL HA 217 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=3352, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=3360,3361,3362,
&end
#
# 217 VAL HA 218 PRO HD3 2.90
&rst
ixpk= 0, nxpk= 0, iat=3352,3368, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 217 VAL HA 218 PRO HD2 2.95
&rst
ixpk= 0, nxpk= 0, iat=3352,3367, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 217 VAL HB 218 PRO HD2 4.04
&rst
ixpk= 0, nxpk= 0, iat=3354,3367, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 217 VAL QG1 218 PRO HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,3368, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=3356,3357,3358,
&end
#
# 217 VAL QG1 218 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3367, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=3356,3357,3358,
&end
#
# 217 VAL QG2 218 PRO HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,3368, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=3360,3361,3362,
&end
#
# 217 VAL QG2 218 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3367, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=3360,3361,3362,
&end
#
# 218 PRO HA 219 ARG H 2.60
&rst
ixpk= 0, nxpk= 0, iat=3376,3380, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 218 PRO HA 219 ARG HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=3376,3382, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 218 PRO QB 219 ARG H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,3380, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=3373,3374,
&end
#
# 218 PRO QB 219 ARG QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=3373,3374,
igr2=3384,3385,
&end
#
# 219 ARG H 219 ARG QB 3.94
&rst
ixpk= 0, nxpk= 0, iat=3380, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=3384,3385,
&end
#
# 219 ARG H 219 ARG QG 4.19
&rst
ixpk= 0, nxpk= 0, iat=3380, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=3387,3388,
&end
#
# 219 ARG HA 219 ARG QD 4.47
&rst
ixpk= 0, nxpk= 0, iat=3382, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=3390,3391,
&end
#
# 219 ARG HA 219 ARG QG 3.87
&rst
ixpk= 0, nxpk= 0, iat=3382, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=3387,3388,
&end
#
# 219 ARG QB 219 ARG QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=3384,3385,
igr2=3390,3391,
&end
#
# 219 ARG QB 219 ARG QG 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=3384,3385,
igr2=3387,3388,
&end
#
# 137 ILE QD1 185 MET HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2076,2077,2078,
&end
#
# 137 ILE QD1 185 MET HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2076,2077,2078,
&end
#
# 137 ILE QD1 185 MET HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2848, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2076,2077,2078,
&end
#
# 137 ILE QG2 185 MET HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2848, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2069,2070,2071,
&end
#
# 137 ILE QG2 185 MET HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2849, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2069,2070,2071,
&end
#
# 137 ILE QD1 185 MET HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2849, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2076,2077,2078,
&end
#
# 86 VAL QG2 185 MET QE 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=1293,1294,1295,
igr2=2852,2853,2854,
&end
#
# 86 VAL QG1 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1289,1290,1291,
igr2=2852,2853,2854,
&end
#
# 87 ALA QB 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1303,1304,1305,
igr2=2852,2853,2854,
&end
#
# 87 ALA HA 185 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2852,2853,2854,
&end
#
# 102 LEU QD1 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1555,1556,1557,
igr2=2852,2853,2854,
&end
#
# 102 LEU QD2 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1559,1560,1561,
igr2=2852,2853,2854,
&end
#
# 106 ALA QB 185 MET QE 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1621,1622,1623,
igr2=2852,2853,2854,
&end
#
# 137 ILE HA 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2852,2853,2854,
&end
#
# 137 ILE HG12 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2852,2853,2854,
&end
#
# 137 ILE HG13 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2852,2853,2854,
&end
#
# 137 ILE QG2 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2069,2070,2071,
igr2=2852,2853,2854,
&end
#
# 137 ILE QD1 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2076,2077,2078,
igr2=2852,2853,2854,
&end
#
# 141 THR QG2 185 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2142,2143,2144,
igr2=2852,2853,2854,
&end
#
# 106 ALA QB 186 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2860, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1621,1622,1623,
&end
#
# 106 ALA QB 186 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1621,1622,1623,
&end
#
# 107 MET QE 186 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2858, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1638,1639,1640,
&end
#
# 86 VAL QG2 188 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1293,1294,1295,
igr2=2879,2880,2881,
&end
#
# 86 VAL QG1 188 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1289,1290,1291,
igr2=2879,2880,2881,
&end
#
# 106 ALA QB 188 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1621,1622,1623,
igr2=2879,2880,2881,
&end
#
# 107 MET QE 188 ALA H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2875, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1638,1639,1640,
&end
#
# 87 ALA QB 189 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1303,1304,1305,
igr2=2894,2895,2896,
&end
#
# 102 LEU HG 189 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2894,2895,2896,
&end
#
# 102 LEU QD1 189 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1555,1556,1557,
igr2=2894,2895,2896,
&end
#
# 102 LEU QD2 189 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1559,1560,1561,
igr2=2894,2895,2896,
&end
#
# 103 LEU HA 189 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2894,2895,2896,
&end
#
# 107 MET QE 189 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
igr2=2894,2895,2896,
&end
#
# 87 ALA QB 189 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1303,1304,1305,
igr2=2898,2899,2900,
&end
#
# 102 LEU HG 189 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2898,2899,2900,
&end
#
# 102 LEU QD1 189 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1555,1556,1557,
igr2=2898,2899,2900,
&end
#
# 102 LEU QD2 189 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1559,1560,1561,
igr2=2898,2899,2900,
&end
#
# 103 LEU HA 189 LEU QD2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=2898,2899,2900,
&end
#
# 107 MET QE 189 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
igr2=2898,2899,2900,
&end
#
# 83 THR HB 192 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2943,2944,2945,
&end
#
# 83 THR QG2 192 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1250,1251,1252,
igr2=2943,2944,2945,
&end
#
# 84 GLU HA 192 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2943,2944,2945,
&end
#
# 86 VAL QG2 192 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1293,1294,1295,
igr2=2943,2944,2945,
&end
#
# 86 VAL QG1 192 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1289,1290,1291,
igr2=2943,2944,2945,
&end
#
# 87 ALA QB 192 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1303,1304,1305,
igr2=2943,2944,2945,
&end
#
# 17 TYR HB2 193 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2957,2966,
&end
#
# 17 TYR HB3 193 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2957,2966,
&end
#
# 20 ALA QB 193 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 328, 329, 330,
igr2=2957,2966,
&end
#
# 87 ALA QB 193 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1303,1304,1305,
igr2=2957,2966,
&end
#
# 17 TYR HB2 193 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2959,2964,
&end
#
# 17 TYR HB3 193 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2959,2964,
&end
#
# 20 ALA QB 193 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 328, 329, 330,
igr2=2959,2964,
&end
#
# 80 ALA QB 193 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1216,1217,1218,
igr2=2959,2964,
&end
#
# 83 THR QG2 193 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1250,1251,1252,
igr2=2959,2964,
&end
#
# 84 GLU QG 193 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1265,1266,
igr2=2959,2964,
&end
#
# 87 ALA QB 193 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1303,1304,1305,
igr2=2959,2964,
&end
#
# 16 ARG HA 196 THR HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 250,3013, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ARG HA 196 THR QG2 6.40
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2=3015,3016,3017,
&end
#
# 15 ARG QG 196 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 231, 232,
igr2=3015,3016,3017,
&end
#
# 16 ARG HA 196 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3015,3016,3017,
&end
#
# 16 ARG QG 196 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 255, 256,
igr2=3015,3016,3017,
&end
#
# 13 PHE QD 197 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3027, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 193, 201,
&end
#
# 13 PHE QE 197 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3027, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 195, 199,
&end
#
# 13 PHE HZ 197 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 197,3027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 PHE HA 197 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3029,3030,3031,
&end
#
# 13 PHE QD 197 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 193, 201,
igr2=3029,3030,3031,
&end
#
# 13 PHE QE 197 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 195, 199,
igr2=3029,3030,3031,
&end
#
# 13 PHE HZ 197 ILE QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3029,3030,3031,
&end
#
# 16 ARG QB 197 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 252, 253,
igr2=3029,3030,3031,
&end
#
# 13 PHE HA 197 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3036,3037,3038,
&end
#
# 13 PHE QD 197 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 193, 201,
igr2=3036,3037,3038,
&end
#
# 13 PHE QE 197 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 195, 199,
igr2=3036,3037,3038,
&end
#
# 16 ARG QD 197 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 258, 259,
igr2=3036,3037,3038,
&end
#
# 8 ALA HA 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3095,3096,3097,
&end
#
# 8 ALA QB 201 VAL QG1 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 115, 116, 117,
igr2=3095,3096,3097,
&end
#
# 11 LEU HG 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3095,3096,3097,
&end
#
# 11 LEU QD1 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 161, 162, 163,
igr2=3095,3096,3097,
&end
#
# 11 LEU QD2 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 165, 166, 167,
igr2=3095,3096,3097,
&end
#
# 12 PRO HD3 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3095,3096,3097,
&end
#
# 12 PRO HG2 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3095,3096,3097,
&end
#
# 12 PRO HG3 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3095,3096,3097,
&end
#
# 12 PRO QB 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 178, 179,
igr2=3095,3096,3097,
&end
#
# 12 PRO HD2 201 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3095,3096,3097,
&end
#
# 13 PHE QE 201 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 195, 199,
igr2=3095,3096,3097,
&end
#
# 8 ALA HA 201 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3099,3100,3101,
&end
#
# 8 ALA QB 201 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 115, 116, 117,
igr2=3099,3100,3101,
&end
#
# 11 LEU HG 201 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3099,3100,3101,
&end
#
# 11 LEU QD1 201 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 161, 162, 163,
igr2=3099,3100,3101,
&end
#
# 11 LEU QD2 201 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 165, 166, 167,
igr2=3099,3100,3101,
&end
#
# 11 LEU QD1 202 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 161, 162, 163,
&end
#
# 11 LEU QD2 202 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 165, 166, 167,
&end
#
# 11 LEU QD1 202 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3106, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 161, 162, 163,
&end
#
# 11 LEU QD2 202 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3106, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 165, 166, 167,
&end
#
# 11 LEU QD1 202 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3107, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 161, 162, 163,
&end
#
# 11 LEU QD2 202 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3107, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 165, 166, 167,
&end
#
# 33 ARG HD2 204 GLU QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=3135,3136,
&end
#
# 33 ARG HD3 204 GLU QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=3135,3136,
&end
#
# 11 LEU QD1 204 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 161, 162, 163,
igr2=3138,3139,
&end
#
# 11 LEU QD2 204 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 165, 166, 167,
igr2=3138,3139,
&end
#
# 33 ARG HB2 204 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3138,3139,
&end
#
# 33 ARG HB3 204 GLU QG 5.40
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=3138,3139,
&end
#
# 33 ARG HG3 204 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3138,3139,
&end
#
# 33 ARG HG2 204 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3138,3139,
&end
#
# 33 ARG HD2 204 GLU QG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=3138,3139,
&end
#
# 33 ARG HD3 204 GLU QG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=3138,3139,
&end
#
# 36 LEU QD1 205 MET HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 568, 569, 570,
&end
#
# 36 LEU QD2 205 MET HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 572, 573, 574,
&end
#
# 11 LEU QD1 205 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 161, 162, 163,
igr2=3157,3158,3159,
&end
#
# 11 LEU QD2 205 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 165, 166, 167,
igr2=3157,3158,3159,
&end
#
# 36 LEU QD1 205 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 568, 569, 570,
igr2=3157,3158,3159,
&end
#
# 36 LEU QD2 205 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 572, 573, 574,
igr2=3157,3158,3159,
&end
#
# 29 ASP HA 205 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3157,3158,3159,
&end
#
# 32 VAL HB 205 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3157,3158,3159,
&end
#
# 32 VAL QG1 205 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 501, 502, 503,
igr2=3157,3158,3159,
&end
#
# 32 VAL QG2 205 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 505, 506, 507,
igr2=3157,3158,3159,
&end
#
# 33 ARG H 205 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3157,3158,3159,
&end
#
# 33 ARG HG3 205 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3157,3158,3159,
&end
#
# 33 ARG HG2 205 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3157,3158,3159,
&end
#
# 33 ARG HD2 205 MET QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=3157,3158,3159,
&end
#
# 33 ARG HD3 205 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3157,3158,3159,
&end
#
# 11 LEU QD1 206 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3163, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 161, 162, 163,
&end
#
# 11 LEU QD2 206 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3163, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 165, 166, 167,
&end
#
# 11 LEU QD1 206 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3165, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 161, 162, 163,
&end
#
# 11 LEU QD2 206 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3165, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 165, 166, 167,
&end
#
# 3 LEU HG 206 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 39,3170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 LEU QD1 206 LEU HG 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,3170, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 41, 42, 43,
&end
#
# 3 LEU QD2 206 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3170, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 45, 46, 47,
&end
#
# 8 ALA HA 206 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 113,3170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 ALA QB 206 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 115, 116, 117,
&end
#
# 8 ALA QB 206 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 115, 116, 117,
igr2=3172,3173,3174,
&end
#
# 8 ALA QB 206 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 115, 116, 117,
igr2=3176,3177,3178,
&end
#
# 40 VAL QG1 208 LEU HG 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,3201, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 628, 629, 630,
&end
#
# 40 VAL QG2 208 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3201, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 632, 633, 634,
&end
#
# 33 ARG HG3 208 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3203,3204,3205,
&end
#
# 33 ARG HG2 208 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3203,3204,3205,
&end
#
# 33 ARG HG3 208 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3207,3208,3209,
&end
#
# 33 ARG HG2 208 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3207,3208,3209,
&end
#
# 4 GLY H 209 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 51,3217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 GLY HA2 209 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 53,3217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 GLY HA3 209 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 54,3217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 GLY H 209 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3226,3227,3228,
&end
#
# 4 GLY HA2 209 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3226,3227,3228,
&end
#
# 4 GLY HA3 209 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3226,3227,3228,
&end
#
# 4 GLY H 209 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3222,3223,3224,
&end
#
# 4 GLY HA2 209 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3222,3223,3224,
&end
#
# 4 GLY HA3 209 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3222,3223,3224,
&end
#
# 40 VAL QG1 211 LYS QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 628, 629, 630,
igr2=3253,3254,
&end
#
# 40 VAL QG2 211 LYS QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 632, 633, 634,
igr2=3253,3254,
&end
#
# 43 PRO HB2 212 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3277,3278,3279,
&end
#
# 43 PRO HB3 212 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3277,3278,3279,
&end
#
# 43 PRO HB2 212 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3281,3282,3283,
&end
#
# 43 PRO HB3 212 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=3281,3282,3283,
&end
#
# 3 LEU HA 3 LEU QQD 3.56
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 41, 42, 43, 45, 46, 47,
&end
#
# 3 LEU QB 206 LEU QQD 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 36, 37,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 3 LEU HG 36 LEU QQD 5.12
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 3 LEU HG 209 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 3 LEU QQD 4 GLY H 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 41, 42, 43, 45, 46, 47,
&end
#
# 3 LEU QQD 6 GLN H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 41, 42, 43, 45, 46, 47,
&end
#
# 3 LEU QQD 6 GLN QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 41, 42, 43, 45, 46, 47,
igr2= 79, 80,
&end
#
# 3 LEU QQD 7 LEU H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 41, 42, 43, 45, 46, 47,
&end
#
# 3 LEU QQD 7 LEU QQD 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 41, 42, 43, 45, 46, 47,
igr2= 101, 102, 103, 105, 106, 107,
&end
#
# 3 LEU QQD 36 LEU QQD 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 41, 42, 43, 45, 46, 47,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 3 LEU QQD 43 PRO HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 41, 42, 43, 45, 46, 47,
&end
#
# 3 LEU QQD 43 PRO QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 41, 42, 43, 45, 46, 47,
igr2= 665, 666,
&end
#
# 3 LEU QQD 43 PRO HG3 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 41, 42, 43, 45, 46, 47,
&end
#
# 3 LEU QQD 46 PHE QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 41, 42, 43, 45, 46, 47,
igr2= 705, 706,
&end
#
# 3 LEU QQD 46 PHE QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 41, 42, 43, 45, 46, 47,
igr2= 709, 717,
&end
#
# 3 LEU QQD 46 PHE QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 41, 42, 43, 45, 46, 47,
igr2= 711, 715,
&end
#
# 3 LEU QQD 206 LEU QQD 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.29, r4= 9.79,
igr1= 41, 42, 43, 45, 46, 47,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 3 LEU QQD 209 LEU QQD 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
igr1= 41, 42, 43, 45, 46, 47,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 4 GLY H 5 GLN QE2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 70, 71,
&end
#
# 4 GLY QA 7 LEU H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 53, 54,
&end
#
# 4 GLY QA 209 LEU QQD 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 53, 54,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 5 GLN H 5 GLN QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 62, 63,
&end
#
# 5 GLN H 5 GLN QG 3.18
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 65, 66,
&end
#
# 5 GLN HA 5 GLN QG 3.19
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 65, 66,
&end
#
# 5 GLN QB 5 GLN QE2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 62, 63,
igr2= 70, 71,
&end
#
# 5 GLN QB 6 GLN H 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 62, 63,
&end
#
# 5 GLN QG 5 GLN QE2 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 65, 66,
igr2= 70, 71,
&end
#
# 5 GLN QG 6 GLN H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 65, 66,
&end
#
# 6 GLN H 6 GLN QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 79, 80,
&end
#
# 6 GLN H 6 GLN QG 3.51
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 82, 83,
&end
#
# 6 GLN H 206 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 6 GLN HA 6 GLN QE2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 87, 88,
&end
#
# 6 GLN QB 7 LEU H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 79, 80,
&end
#
# 7 LEU H 206 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 7 LEU HA 7 LEU QQD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 101, 102, 103, 105, 106, 107,
&end
#
# 7 LEU HA 206 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 7 LEU HB3 11 LEU QQD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 161, 162, 163, 165, 166, 167,
&end
#
# 7 LEU HG 206 LEU QQD 5.20
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 7 LEU QQD 11 LEU QQD 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 101, 102, 103, 105, 106, 107,
igr2= 161, 162, 163, 165, 166, 167,
&end
#
# 7 LEU QQD 35 THR QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 101, 102, 103, 105, 106, 107,
igr2= 551, 552, 553,
&end
#
# 7 LEU QQD 56 LEU HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 101, 102, 103, 105, 106, 107,
&end
#
# 7 LEU QQD 56 LEU QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 101, 102, 103, 105, 106, 107,
igr2= 872, 873, 874,
&end
#
# 7 LEU QQD 56 LEU QD2 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 101, 102, 103, 105, 106, 107,
igr2= 876, 877, 878,
&end
#
# 7 LEU QQD 206 LEU QQD 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 101, 102, 103, 105, 106, 107,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 7 LEU QQD 209 LEU QQD 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
igr1= 101, 102, 103, 105, 106, 107,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 8 ALA H 9 PRO QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 122, 123,
&end
#
# 8 ALA HA 11 LEU QQD 3.44
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 161, 162, 163, 165, 166, 167,
&end
#
# 8 ALA HA 206 LEU QQD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 8 ALA QB 9 PRO QB 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 115, 116, 117,
igr2= 128, 129,
&end
#
# 8 ALA QB 9 PRO QD 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 115, 116, 117,
igr2= 122, 123,
&end
#
# 8 ALA QB 11 LEU QQD 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 115, 116, 117,
igr2= 161, 162, 163, 165, 166, 167,
&end
#
# 8 ALA QB 206 LEU QQD 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 115, 116, 117,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 9 PRO QB 10 HIS H 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 128, 129,
&end
#
# 9 PRO QD 10 HIS H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 122, 123,
&end
#
# 10 HIS H 11 LEU QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 156, 157,
&end
#
# 10 HIS H 11 LEU QQD 4.73
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 161, 162, 163, 165, 166, 167,
&end
#
# 10 HIS QB 56 LEU QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 139, 140,
igr2= 867, 868,
&end
#
# 10 HIS QB 56 LEU HG 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 139, 140,
&end
#
# 10 HIS QB 56 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 139, 140,
igr2= 876, 877, 878,
&end
#
# 10 HIS HE1 53 ARG QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 823, 824,
&end
#
# 11 LEU H 11 LEU QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 156, 157,
&end
#
# 11 LEU H 11 LEU QQD 3.80
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 161, 162, 163, 165, 166, 167,
&end
#
# 11 LEU H 12 PRO QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 172, 173,
&end
#
# 11 LEU HA 11 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 161, 162, 163, 165, 166, 167,
&end
#
# 11 LEU QB 11 LEU QQD 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 156, 157,
igr2= 161, 162, 163, 165, 166, 167,
&end
#
# 11 LEU QB 12 PRO QG 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 156, 157,
igr2= 175, 176,
&end
#
# 11 LEU QB 12 PRO QD 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 156, 157,
igr2= 172, 173,
&end
#
# 11 LEU QB 13 PHE H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 156, 157,
&end
#
# 11 LEU QQD 12 PRO QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 161, 162, 163, 165, 166, 167,
igr2= 172, 173,
&end
#
# 11 LEU QQD 202 PRO HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,3115, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 161, 162, 163, 165, 166, 167,
&end
#
# 11 LEU QQD 205 MET HA 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1,3148, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 161, 162, 163, 165, 166, 167,
&end
#
# 11 LEU QQD 205 MET QB 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr1= 161, 162, 163, 165, 166, 167,
igr2=3150,3151,
&end
#
# 11 LEU QQD 205 MET QG 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 161, 162, 163, 165, 166, 167,
igr2=3153,3154,
&end
#
# 12 PRO QG 13 PHE H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 175, 176,
&end
#
# 12 PRO QG 197 ILE QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 175, 176,
igr2=3029,3030,3031,
&end
#
# 12 PRO QG 197 ILE QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 175, 176,
igr2=3036,3037,3038,
&end
#
# 12 PRO QD 13 PHE H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 172, 173,
&end
#
# 13 PHE H 13 PHE QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 189, 190,
&end
#
# 14 LEU H 14 LEU QQD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 214, 215, 216, 218, 219, 220,
&end
#
# 14 LEU HA 14 LEU QQD 3.47
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 214, 215, 216, 218, 219, 220,
&end
#
# 14 LEU HB2 32 VAL QQG 5.05
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 501, 502, 503, 505, 506, 507,
&end
#
# 14 LEU HB3 14 LEU QQD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 214, 215, 216, 218, 219, 220,
&end
#
# 14 LEU QQD 17 TYR QD 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 280, 289,
&end
#
# 14 LEU QQD 17 TYR QE 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 282, 287,
&end
#
# 14 LEU QQD 32 VAL HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 214, 215, 216, 218, 219, 220,
&end
#
# 14 LEU QQD 32 VAL QQG 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 501, 502, 503, 505, 506, 507,
&end
#
# 14 LEU QQD 35 THR HB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 214, 215, 216, 218, 219, 220,
&end
#
# 14 LEU QQD 35 THR QG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 551, 552, 553,
&end
#
# 14 LEU QQD 56 LEU QB 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 867, 868,
&end
#
# 14 LEU QQD 56 LEU HG 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 214, 215, 216, 218, 219, 220,
&end
#
# 14 LEU QQD 56 LEU QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 872, 873, 874,
&end
#
# 14 LEU QQD 60 PHE H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 214, 215, 216, 218, 219, 220,
&end
#
# 14 LEU QQD 60 PHE HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 214, 215, 216, 218, 219, 220,
&end
#
# 14 LEU QQD 60 PHE QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 948, 949,
&end
#
# 14 LEU QQD 60 PHE QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 952, 960,
&end
#
# 14 LEU QQD 60 PHE QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 214, 215, 216, 218, 219, 220,
igr2= 954, 958,
&end
#
# 14 LEU QQD 60 PHE HZ 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 214, 215, 216, 218, 219, 220,
&end
#
# 15 ARG H 32 VAL QQG 4.83
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 501, 502, 503, 505, 506, 507,
&end
#
# 15 ARG HA 32 VAL QQG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 501, 502, 503, 505, 506, 507,
&end
#
# 17 TYR H 17 TYR QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 276, 277,
&end
#
# 17 TYR QD 21 LEU QQD 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 280, 289,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 17 TYR QE 18 GLY QA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 282, 287,
igr2= 295, 296,
&end
#
# 17 TYR QE 21 LEU QQD 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 282, 287,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 21 LEU H 21 LEU QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 338, 339,
&end
#
# 21 LEU HA 21 LEU QQD 3.66
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 343, 344, 345, 347, 348, 349,
&end
#
# 21 LEU QB 60 PHE QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 338, 339,
igr2= 954, 958,
&end
#
# 21 LEU QQD 22 THR H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 21 LEU QQD 22 THR QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 359, 360, 361,
&end
#
# 21 LEU QQD 60 PHE QE 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 343, 344, 345, 347, 348, 349,
igr2= 954, 958,
&end
#
# 21 LEU QQD 64 TRP HD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 21 LEU QQD 64 TRP HE1 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 21 LEU QQD 64 TRP HZ3 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 21 LEU QQD 100 GLN H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 21 LEU QQD 100 GLN HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 343, 344, 345, 347, 348, 349,
&end
#
# 21 LEU QQD 100 GLN QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 343, 344, 345, 347, 348, 349,
igr2=1526,1527,
&end
#
# 21 LEU QQD 100 GLN QE2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 343, 344, 345, 347, 348, 349,
igr2=1531,1532,
&end
#
# 21 LEU QQD 103 LEU QQD 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 343, 344, 345, 347, 348, 349,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 22 THR H 76 SER QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1165,1166,
&end
#
# 22 THR HA 76 SER QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1165,1166,
&end
#
# 22 THR HB 76 SER QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1165,1166,
&end
#
# 22 THR QG2 23 GLY QA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 359, 360, 361,
igr2= 369, 370,
&end
#
# 22 THR QG2 27 GLN QG 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 359, 360, 361,
igr2= 423, 424,
&end
#
# 24 SER QB 26 ASN H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 378, 379,
&end
#
# 24 SER QB 26 ASN QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 378, 379,
igr2= 406, 407,
&end
#
# 24 SER QB 27 GLN H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 378, 379,
&end
#
# 24 SER QB 27 GLN QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 378, 379,
igr2= 420, 421,
&end
#
# 24 SER QB 27 GLN QG 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 378, 379,
igr2= 423, 424,
&end
#
# 25 GLN H 25 GLN QB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 389, 390,
&end
#
# 25 GLN H 25 GLN QG 3.40
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 392, 393,
&end
#
# 25 GLN HA 25 GLN QG 3.22
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 392, 393,
&end
#
# 25 GLN QB 26 ASN H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 389, 390,
&end
#
# 26 ASN HA 26 ASN QD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 411, 412,
&end
#
# 26 ASN QB 27 GLN QG 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 406, 407,
igr2= 423, 424,
&end
#
# 27 GLN H 27 GLN QG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 423, 424,
&end
#
# 27 GLN HA 27 GLN QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 423, 424,
&end
#
# 27 GLN HA 27 GLN QE2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 428, 429,
&end
#
# 27 GLN HA 30 LYS QG 4.62
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 459, 460,
&end
#
# 27 GLN HB3 27 GLN QE2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 428, 429,
&end
#
# 27 GLN QG 30 LYS HE2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 423, 424,
&end
#
# 27 GLN QE2 30 LYS QG 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 428, 429,
igr2= 459, 460,
&end
#
# 27 GLN QE2 30 LYS HD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 428, 429,
&end
#
# 27 GLN QE2 30 LYS HE2 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 428, 429,
&end
#
# 27 GLN QE2 31 TYR QD 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 428, 429,
igr2= 482, 491,
&end
#
# 27 GLN QE2 31 TYR QE 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 428, 429,
igr2= 484, 489,
&end
#
# 28 GLY QA 30 LYS H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 435, 436,
&end
#
# 29 ASP H 29 ASP QB 3.26
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 444, 445,
&end
#
# 29 ASP QB 30 LYS H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 444, 445,
&end
#
# 30 LYS HA 30 LYS QG 3.70
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 459, 460,
&end
#
# 30 LYS QG 30 LYS HE2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 459, 460,
&end
#
# 30 LYS QG 30 LYS HE3 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 459, 460,
&end
#
# 30 LYS QG 31 TYR H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 459, 460,
&end
#
# 30 LYS QG 31 TYR QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 459, 460,
igr2= 482, 491,
&end
#
# 31 TYR H 32 VAL QQG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 501, 502, 503, 505, 506, 507,
&end
#
# 32 VAL H 32 VAL QQG 3.61
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 501, 502, 503, 505, 506, 507,
&end
#
# 32 VAL HA 32 VAL QQG 3.09
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 501, 502, 503, 505, 506, 507,
&end
#
# 32 VAL QQG 33 ARG H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 501, 502, 503, 505, 506, 507,
&end
#
# 32 VAL QQG 33 ARG HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 501, 502, 503, 505, 506, 507,
&end
#
# 32 VAL QQG 33 ARG HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 501, 502, 503, 505, 506, 507,
&end
#
# 32 VAL QQG 33 ARG HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 501, 502, 503, 505, 506, 507,
&end
#
# 32 VAL QQG 33 ARG QD 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 501, 502, 503, 505, 506, 507,
igr2= 521, 522,
&end
#
# 32 VAL QQG 35 THR QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 501, 502, 503, 505, 506, 507,
igr2= 551, 552, 553,
&end
#
# 32 VAL QQG 60 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 501, 502, 503, 505, 506, 507,
igr2= 952, 960,
&end
#
# 32 VAL QQG 60 PHE QE 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 501, 502, 503, 505, 506, 507,
igr2= 954, 958,
&end
#
# 33 ARG HA 208 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 33 ARG HG2 208 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 33 ARG HG3 208 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 33 ARG QD 208 LEU QQD 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17,
igr1= 521, 522,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 35 THR QG2 59 MET QG 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 551, 552, 553,
igr2= 934, 935,
&end
#
# 35 THR QG2 60 PHE QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 551, 552, 553,
igr2= 948, 949,
&end
#
# 36 LEU HA 36 LEU QQD 3.33
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 36 LEU HA 40 VAL QQG 4.83
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 628, 629, 630, 632, 633, 634,
&end
#
# 36 LEU QB 37 GLU H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 563, 564,
&end
#
# 36 LEU HG 208 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 36 LEU QQD 37 GLU H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 36 LEU QQD 37 GLU HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 36 LEU QQD 38 ALA H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 36 LEU QQD 39 ILE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 36 LEU QQD 40 VAL H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 36 LEU QQD 40 VAL HB 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 568, 569, 570, 572, 573, 574,
&end
#
# 36 LEU QQD 40 VAL QQG 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 568, 569, 570, 572, 573, 574,
igr2= 628, 629, 630, 632, 633, 634,
&end
#
# 36 LEU QQD 205 MET QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 568, 569, 570, 572, 573, 574,
igr2=3150,3151,
&end
#
# 36 LEU QQD 205 MET QG 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 568, 569, 570, 572, 573, 574,
igr2=3153,3154,
&end
#
# 36 LEU QQD 205 MET QE 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1= 568, 569, 570, 572, 573, 574,
igr2=3157,3158,3159,
&end
#
# 36 LEU QQD 206 LEU QQD 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.92, r4= 9.42,
igr1= 568, 569, 570, 572, 573, 574,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 36 LEU QQD 208 LEU QQD 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
igr1= 568, 569, 570, 572, 573, 574,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 36 LEU QQD 209 LEU QQD 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.61, r4=11.11,
igr1= 568, 569, 570, 572, 573, 574,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 37 GLU HA 40 VAL QQG 3.79
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 628, 629, 630, 632, 633, 634,
&end
#
# 37 GLU QG 40 VAL QQG 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 585, 586,
igr2= 628, 629, 630, 632, 633, 634,
&end
#
# 37 GLU HG3 40 VAL QG1 6.04
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 628, 629, 630,
&end
#
# 37 GLU HG3 40 VAL QG2 6.04
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 632, 633, 634,
&end
#
# 39 ILE H 40 VAL QQG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 628, 629, 630, 632, 633, 634,
&end
#
# 39 ILE HA 45 GLN QG 4.89
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 691, 692,
&end
#
# 39 ILE HB 209 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 39 ILE QG2 43 PRO QB 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 609, 610, 611,
igr2= 665, 666,
&end
#
# 39 ILE QG2 43 PRO QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 609, 610, 611,
igr2= 659, 660,
&end
#
# 39 ILE QG2 45 GLN QG 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 609, 610, 611,
igr2= 691, 692,
&end
#
# 39 ILE QG2 46 PHE QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 609, 610, 611,
igr2= 705, 706,
&end
#
# 39 ILE QG2 209 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1= 609, 610, 611,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 40 VAL H 40 VAL QQG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 628, 629, 630, 632, 633, 634,
&end
#
# 40 VAL HA 43 PRO QD 4.84
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 659, 660,
&end
#
# 40 VAL HA 209 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 40 VAL HB 209 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 40 VAL QQG 41 ALA H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 628, 629, 630, 632, 633, 634,
&end
#
# 40 VAL QQG 41 ALA HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 628, 629, 630, 632, 633, 634,
&end
#
# 40 VAL QQG 41 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 628, 629, 630, 632, 633, 634,
igr2= 642, 643, 644,
&end
#
# 40 VAL QQG 42 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 628, 629, 630, 632, 633, 634,
&end
#
# 40 VAL QQG 208 LEU QQD 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.03, r4= 9.53,
igr1= 628, 629, 630, 632, 633, 634,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 40 VAL QQG 209 LEU HG 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1,3220, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 628, 629, 630, 632, 633, 634,
&end
#
# 40 VAL QQG 209 LEU QQD 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
igr1= 628, 629, 630, 632, 633, 634,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 40 VAL QQG 211 LYS H 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1,3246, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 628, 629, 630, 632, 633, 634,
&end
#
# 40 VAL QQG 211 LYS QE 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr1= 628, 629, 630, 632, 633, 634,
igr2=3259,3260,
&end
#
# 40 VAL QQG 212 LEU H 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1,3268, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 628, 629, 630, 632, 633, 634,
&end
#
# 40 VAL QQG 212 LEU QQD 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
igr1= 628, 629, 630, 632, 633, 634,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 42 ALA H 43 PRO QD 3.38
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 659, 660,
&end
#
# 42 ALA HA 43 PRO QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 659, 660,
&end
#
# 42 ALA QB 45 GLN QB 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 652, 653, 654,
igr2= 688, 689,
&end
#
# 42 ALA QB 45 GLN QG 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 652, 653, 654,
igr2= 691, 692,
&end
#
# 43 PRO HA 212 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 43 PRO QB 212 LEU QQD 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 665, 666,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 43 PRO QD 44 ASP H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 659, 660,
&end
#
# 45 GLN H 45 GLN QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 688, 689,
&end
#
# 45 GLN HA 45 GLN QG 3.46
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 691, 692,
&end
#
# 45 GLN QB 45 GLN HE21 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 688, 689,
&end
#
# 45 GLN QB 45 GLN HE22 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 688, 689,
&end
#
# 45 GLN QB 46 PHE H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 688, 689,
&end
#
# 46 PHE HA 47 PRO QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 725, 726,
&end
#
# 46 PHE QD 59 MET QG 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 709, 717,
igr2= 934, 935,
&end
#
# 46 PHE QD 206 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr1= 709, 717,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 46 PHE QE 206 LEU QQD 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 711, 715,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 46 PHE HZ 59 MET QG 5.08
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 934, 935,
&end
#
# 46 PHE HZ 206 LEU QQD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 47 PRO HA 48 ARG QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 739, 740,
&end
#
# 47 PRO QB 48 ARG H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 728, 729,
&end
#
# 47 PRO QB 49 ASP H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 728, 729,
&end
#
# 47 PRO QB 50 VAL H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 728, 729,
&end
#
# 47 PRO QB 50 VAL QQG 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 728, 729,
igr2= 777, 778, 779, 781, 782, 783,
&end
#
# 47 PRO QG 50 VAL QQG 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 725, 726,
igr2= 777, 778, 779, 781, 782, 783,
&end
#
# 48 ARG H 48 ARG QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 739, 740,
&end
#
# 48 ARG QB 48 ARG QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 739, 740,
igr2= 745, 746,
&end
#
# 48 ARG QB 49 ASP H 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 739, 740,
&end
#
# 48 ARG QB 50 VAL H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 739, 740,
&end
#
# 48 ARG QD 206 LEU QQD 6.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71,
igr1= 745, 746,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 49 ASP QB 50 VAL H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 763, 764,
&end
#
# 49 ASP QB 50 VAL QQG 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 763, 764,
igr2= 777, 778, 779, 781, 782, 783,
&end
#
# 50 VAL HA 54 LEU QQD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 50 VAL HB 54 LEU QQD 3.94
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 50 VAL QQG 54 LEU QQD 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 777, 778, 779, 781, 782, 783,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 51 ASP H 54 LEU QQD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 51 ASP HB2 52 PRO QD 4.68
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 800, 801,
&end
#
# 51 ASP HB2 54 LEU QQD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 51 ASP HB3 52 PRO QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 800, 801,
&end
#
# 51 ASP HB3 53 ARG QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 823, 824,
&end
#
# 51 ASP HB3 54 LEU QQD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 52 PRO QG 53 ARG H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 803, 804,
&end
#
# 54 LEU HA 54 LEU QQD 3.26
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 54 LEU QQD 55 GLY H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 846, 847, 848, 850, 851, 852,
&end
#
# 54 LEU QQD 110 PHE QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 846, 847, 848, 850, 851, 852,
igr2=1674,1682,
&end
#
# 54 LEU QQD 110 PHE QE 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 846, 847, 848, 850, 851, 852,
igr2=1676,1680,
&end
#
# 54 LEU QQD 114 ASP H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 846, 847, 848, 850, 851, 852,
&end
#
# 54 LEU QQD 114 ASP HA 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 846, 847, 848, 850, 851, 852,
&end
#
# 54 LEU QQD 114 ASP QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 846, 847, 848, 850, 851, 852,
igr2=1730,1731,
&end
#
# 54 LEU QD1 114 ASP HB3 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 846, 847, 848,
&end
#
# 54 LEU QQD 117 TYR H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 846, 847, 848, 850, 851, 852,
&end
#
# 54 LEU QQD 117 TYR QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 846, 847, 848, 850, 851, 852,
igr2=1762,1763,
&end
#
# 54 LEU QQD 117 TYR QD 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 846, 847, 848, 850, 851, 852,
igr2=1766,1775,
&end
#
# 54 LEU QQD 117 TYR QE 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 846, 847, 848, 850, 851, 852,
igr2=1768,1773,
&end
#
# 54 LEU QQD 118 LEU H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 846, 847, 848, 850, 851, 852,
&end
#
# 54 LEU QQD 118 LEU HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 846, 847, 848, 850, 851, 852,
&end
#
# 54 LEU QQD 118 LEU QQD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 846, 847, 848, 850, 851, 852,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 56 LEU QB 56 LEU QD2 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 867, 868,
igr2= 876, 877, 878,
&end
#
# 56 LEU QB 57 TYR H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 867, 868,
&end
#
# 56 LEU QB 57 TYR QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 867, 868,
igr2= 892, 897,
&end
#
# 57 TYR H 118 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 57 TYR HA 60 PHE QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 948, 949,
&end
#
# 57 TYR QB 58 ARG H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 886, 887,
&end
#
# 57 TYR QB 118 LEU QQD 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 886, 887,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 57 TYR HB2 118 LEU QD2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1792,1793,1794,
&end
#
# 57 TYR QD 118 LEU QQD 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 890, 899,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 58 ARG H 58 ARG QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 907, 908,
&end
#
# 58 ARG H 58 ARG QG 5.19
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 910, 911,
&end
#
# 58 ARG H 118 LEU QQD 4.06
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 58 ARG HA 58 ARG QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 913, 914,
&end
#
# 58 ARG HA 61 GLN QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 968, 969,
&end
#
# 58 ARG HA 118 LEU QQD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 58 ARG QB 59 MET H 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 907, 908,
&end
#
# 58 ARG QB 117 TYR QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 907, 908,
igr2=1768,1773,
&end
#
# 58 ARG QG 117 TYR QE 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 910, 911,
igr2=1768,1773,
&end
#
# 58 ARG QG 118 LEU QQD 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 910, 911,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 58 ARG QD 117 TYR QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 913, 914,
igr2=1766,1775,
&end
#
# 58 ARG QD 117 TYR QE 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 913, 914,
igr2=1768,1773,
&end
#
# 58 ARG QD 118 LEU HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 913, 914,
&end
#
# 58 ARG QD 118 LEU QQD 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 913, 914,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 59 MET H 59 MET QG 3.42
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 934, 935,
&end
#
# 59 MET H 118 LEU QQD 5.37
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 59 MET HB2 60 PHE QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 948, 949,
&end
#
# 59 MET QG 59 MET QE 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 934, 935,
igr2= 938, 939, 940,
&end
#
# 60 PHE H 60 PHE QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 948, 949,
&end
#
# 61 GLN H 61 GLN QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 968, 969,
&end
#
# 61 GLN H 61 GLN QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 971, 972,
&end
#
# 61 GLN HA 61 GLN QE2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 976, 977,
&end
#
# 61 GLN QB 62 GLY H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 968, 969,
&end
#
# 64 TRP H 64 TRP QB 3.33
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1011,1012,
&end
#
# 64 TRP HA 68 ASN QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1071,1072,
&end
#
# 64 TRP QB 65 ALA H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1011,1012,
&end
#
# 64 TRP QB 65 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1011,1012,
igr2=1035,1036,1037,
&end
#
# 64 TRP QB 68 ASN QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1011,1012,
igr2=1071,1072,
&end
#
# 64 TRP HE3 68 ASN QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1071,1072,
&end
#
# 64 TRP HE1 68 ASN QD2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1071,1072,
&end
#
# 64 TRP HZ2 68 ASN QD2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1071,1072,
&end
#
# 65 ALA H 66 SER QB 4.59
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1045,1046,
&end
#
# 65 ALA HA 68 ASN QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1071,1072,
&end
#
# 65 ALA QB 66 SER QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1035,1036,1037,
igr2=1045,1046,
&end
#
# 65 ALA QB 68 ASN QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1035,1036,1037,
igr2=1071,1072,
&end
#
# 66 SER H 66 SER QB 2.77
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1045,1046,
&end
#
# 66 SER QB 67 ALA H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1045,1046,
&end
#
# 66 SER QB 67 ALA QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1045,1046,
igr2=1056,1057,1058,
&end
#
# 66 SER QB 69 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1045,1046,
igr2=1080,1081,1082,
&end
#
# 67 ALA QB 68 ASN QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1056,1057,1058,
igr2=1066,1067,
&end
#
# 67 ALA QB 68 ASN QD2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1056,1057,1058,
igr2=1071,1072,
&end
#
# 68 ASN H 68 ASN QB 3.16
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1066,1067,
&end
#
# 68 ASN H 68 ASN QD2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1071,1072,
&end
#
# 68 ASN HA 68 ASN QD2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1071,1072,
&end
#
# 68 ASN QB 68 ASN QD2 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1066,1067,
igr2=1071,1072,
&end
#
# 68 ASN QB 69 ALA H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1066,1067,
&end
#
# 68 ASN QB 69 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1066,1067,
igr2=1080,1081,1082,
&end
#
# 68 ASN QB 71 GLY H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1066,1067,
&end
#
# 68 ASN QD2 69 ALA H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1071,1072,
&end
#
# 68 ASN QD2 73 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1071,1072,
igr2=1124,1125,1126,
&end
#
# 69 ALA H 70 ASP QB 4.57
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1090,1091,
&end
#
# 69 ALA QB 70 ASP QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1080,1081,1082,
igr2=1090,1091,
&end
#
# 70 ASP H 70 ASP QB 2.77
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1090,1091,
&end
#
# 70 ASP QB 71 GLY H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1090,1091,
&end
#
# 71 GLY QA 72 GLU H 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr1=1100,1101,
&end
#
# 72 GLU H 72 GLU QB 2.90
&rst
ixpk= 0, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1109,1110,
&end
#
# 72 GLU QB 73 ALA H 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1109,1110,
&end
#
# 74 GLN H 74 GLN QB 3.13
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1134,1135,
&end
#
# 74 GLN HA 74 GLN QB 2.56
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2=1134,1135,
&end
#
# 74 GLN HA 74 GLN QE2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1142,1143,
&end
#
# 74 GLN QB 74 GLN QG 2.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr1=1134,1135,
igr2=1137,1138,
&end
#
# 74 GLN QB 74 GLN QE2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1134,1135,
igr2=1142,1143,
&end
#
# 74 GLN QB 75 THR H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1134,1135,
&end
#
# 74 GLN QB 75 THR HB 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1134,1135,
&end
#
# 74 GLN QB 75 THR QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1134,1135,
igr2=1153,1154,1155,
&end
#
# 74 GLN QG 74 GLN QE2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1137,1138,
igr2=1142,1143,
&end
#
# 76 SER HA 76 SER QB 2.53
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
igr2=1165,1166,
&end
#
# 77 GLN HA 77 GLN QB 2.62
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2=1176,1177,
&end
#
# 77 GLN QG 77 GLN QE2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1179,1180,
igr2=1184,1185,
&end
#
# 78 SER HA 78 SER QB 2.54
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,
igr2=1193,1194,
&end
#
# 78 SER QB 80 ALA H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1193,1194,
&end
#
# 80 ALA H 84 GLU QB 5.01
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1262,1263,
&end
#
# 80 ALA QB 81 GLU QB 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1216,1217,1218,
igr2=1226,1227,
&end
#
# 80 ALA QB 84 GLU QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1216,1217,1218,
igr2=1262,1263,
&end
#
# 81 GLU H 81 GLU QB 3.31
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1226,1227,
&end
#
# 81 GLU QB 81 GLU QG 2.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr1=1226,1227,
igr2=1229,1230,
&end
#
# 81 GLU QB 82 GLY H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1226,1227,
&end
#
# 84 GLU H 84 GLU QB 3.30
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1262,1263,
&end
#
# 85 ALA HA 88 ARG QB 4.12
&rst
ixpk= 0, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1313,1314,
&end
#
# 88 ARG H 88 ARG QB 3.47
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1313,1314,
&end
#
# 88 ARG H 88 ARG QG 3.95
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1316,1317,
&end
#
# 88 ARG H 88 ARG QD 4.88
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1319,1320,
&end
#
# 88 ARG HA 88 ARG QD 3.81
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1319,1320,
&end
#
# 88 ARG HA 91 LEU QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1371,1372,
&end
#
# 88 ARG HA 91 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 88 ARG QB 89 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1313,1314,
&end
#
# 88 ARG QG 89 ALA QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1316,1317,
igr2=1337,1338,1339,
&end
#
# 88 ARG QD 89 ALA H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1319,1320,
&end
#
# 88 ARG QD 89 ALA HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1319,1320,
&end
#
# 90 ARG H 90 ARG QB 3.21
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1347,1348,
&end
#
# 90 ARG QB 91 LEU QQD 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1347,1348,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 90 ARG QB 141 THR HA 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2138, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1347,1348,
&end
#
# 90 ARG QB 141 THR HB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1347,1348,
&end
#
# 91 LEU H 91 LEU QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1371,1372,
&end
#
# 91 LEU H 91 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1376,1377,1378,1380,1381,1382,
&end
#
# 91 LEU QB 92 ALA H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1371,1372,
&end
#
# 91 LEU QB 94 MET QE 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1371,1372,
igr2=1431,1432,1433,
&end
#
# 91 LEU QQD 94 MET QE 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1376,1377,1378,1380,1381,1382,
igr2=1431,1432,1433,
&end
#
# 91 LEU QQD 140 GLN QG 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1376,1377,1378,1380,1381,1382,
igr2=2126,2127,
&end
#
# 91 LEU QQD 141 THR H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 91 LEU QQD 141 THR HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2138, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 91 LEU QQD 141 THR HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1376,1377,1378,1380,1381,1382,
&end
#
# 91 LEU QQD 141 THR QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1=1376,1377,1378,1380,1381,1382,
igr2=2142,2143,2144,
&end
#
# 92 ALA QB 93 ARG QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1390,1391,1392,
igr2=1400,1401,
&end
#
# 93 ARG QB 93 ARG QD 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1400,1401,
igr2=1406,1407,
&end
#
# 93 ARG QB 94 MET H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1400,1401,
&end
#
# 94 MET H 94 MET QB 3.39
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1424,1425,
&end
#
# 94 MET H 94 MET QG 3.91
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1427,1428,
&end
#
# 94 MET QB 94 MET QE 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1424,1425,
igr2=1431,1432,1433,
&end
#
# 94 MET QG 95 THR H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1427,1428,
&end
#
# 94 MET QE 137 ILE QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1431,1432,1433,
igr2=2073,2074,
&end
#
# 95 THR HA 96 PRO QG 4.58
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1455,1456,
&end
#
# 95 THR QG2 97 LEU QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1443,1444,1445,
igr2=1469,1470,
&end
#
# 97 LEU H 97 LEU QB 3.24
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1469,1470,
&end
#
# 97 LEU H 97 LEU QQD 4.28
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1474,1475,1476,1478,1479,1480,
&end
#
# 97 LEU H 100 GLN QE2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1531,1532,
&end
#
# 97 LEU HA 97 LEU QQD 3.17
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1474,1475,1476,1478,1479,1480,
&end
#
# 97 LEU HA 100 GLN QE2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1531,1532,
&end
#
# 97 LEU QB 97 LEU QQD 2.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1469,1470,
igr2=1474,1475,1476,1478,1479,1480,
&end
#
# 97 LEU QB 98 SER H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1469,1470,
&end
#
# 97 LEU QQD 100 GLN QE2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1474,1475,1476,1478,1479,1480,
igr2=1531,1532,
&end
#
# 97 LEU QQD 101 ALA H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1474,1475,1476,1478,1479,1480,
&end
#
# 97 LEU QQD 119 ILE HB 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1474,1475,1476,1478,1479,1480,
&end
#
# 97 LEU QQD 119 ILE QG2 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1474,1475,1476,1478,1479,1480,
igr2=1804,1805,1806,
&end
#
# 97 LEU QQD 119 ILE HG13 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1474,1475,1476,1478,1479,1480,
&end
#
# 97 LEU QQD 119 ILE QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1474,1475,1476,1478,1479,1480,
igr2=1811,1812,1813,
&end
#
# 100 GLN H 100 GLN QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1523,1524,
&end
#
# 100 GLN H 100 GLN QG 4.61
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1526,1527,
&end
#
# 101 ALA HA 104 LEU QQD 4.14
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1593,1594,1595,1597,1598,1599,
&end
#
# 101 ALA QB 104 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1540,1541,1542,
igr2=1593,1594,1595,1597,1598,1599,
&end
#
# 101 ALA QB 126 VAL QQG 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1540,1541,1542,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 101 ALA QB 129 LEU QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1540,1541,1542,
igr2=1949,1950,
&end
#
# 101 ALA QB 129 LEU QQD 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1540,1541,1542,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 102 LEU H 102 LEU QQD 4.16
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1555,1556,1557,1559,1560,1561,
&end
#
# 102 LEU HA 102 LEU QQD 3.08
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1555,1556,1557,1559,1560,1561,
&end
#
# 102 LEU QQD 103 LEU H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1565, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1555,1556,1557,1559,1560,1561,
&end
#
# 102 LEU QQD 105 THR H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1555,1556,1557,1559,1560,1561,
&end
#
# 102 LEU QQD 106 ALA H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1555,1556,1557,1559,1560,1561,
&end
#
# 102 LEU QQD 106 ALA HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1555,1556,1557,1559,1560,1561,
&end
#
# 102 LEU QQD 106 ALA QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1555,1556,1557,1559,1560,1561,
igr2=1621,1622,1623,
&end
#
# 102 LEU QQD 107 MET QE 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1555,1556,1557,1559,1560,1561,
igr2=1638,1639,1640,
&end
#
# 102 LEU QQD 133 ALA HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1555,1556,1557,1559,1560,1561,
&end
#
# 102 LEU QQD 133 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1555,1556,1557,1559,1560,1561,
igr2=2013,2014,2015,
&end
#
# 102 LEU QQD 185 MET QG 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=1555,1556,1557,1559,1560,1561,
igr2=2848,2849,
&end
#
# 103 LEU H 103 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1574,1575,1576,1578,1579,1580,
&end
#
# 103 LEU QB 107 MET QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1569,1570,
igr2=1631,1632,
&end
#
# 103 LEU QQD 107 MET QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=1574,1575,1576,1578,1579,1580,
igr2=1638,1639,1640,
&end
#
# 104 LEU H 104 LEU QB 3.48
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1588,1589,
&end
#
# 104 LEU HA 104 LEU QQD 3.56
&rst
ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1593,1594,1595,1597,1598,1599,
&end
#
# 104 LEU QB 105 THR H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1588,1589,
&end
#
# 104 LEU QB 126 VAL QQG 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1588,1589,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 104 LEU QQD 105 THR H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1593,1594,1595,1597,1598,1599,
&end
#
# 104 LEU QQD 105 THR QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1593,1594,1595,1597,1598,1599,
igr2=1609,1610,1611,
&end
#
# 104 LEU QQD 108 GLU H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1593,1594,1595,1597,1598,1599,
&end
#
# 104 LEU QQD 110 PHE QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1593,1594,1595,1597,1598,1599,
igr2=1674,1682,
&end
#
# 104 LEU QQD 110 PHE QE 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1593,1594,1595,1597,1598,1599,
igr2=1676,1680,
&end
#
# 104 LEU QQD 115 ALA H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1593,1594,1595,1597,1598,1599,
&end
#
# 104 LEU QQD 115 ALA HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1740, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1593,1594,1595,1597,1598,1599,
&end
#
# 104 LEU QQD 115 ALA QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1593,1594,1595,1597,1598,1599,
igr2=1742,1743,1744,
&end
#
# 104 LEU QQD 118 LEU H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1593,1594,1595,1597,1598,1599,
&end
#
# 104 LEU QQD 118 LEU QQD 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1593,1594,1595,1597,1598,1599,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 105 THR QG2 109 GLY QA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1609,1610,1611,
igr2=1661,1662,
&end
#
# 105 THR QG2 126 VAL QQG 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1609,1610,1611,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 106 ALA QB 185 MET QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1=1621,1622,1623,
igr2=2848,2849,
&end
#
# 107 MET HA 189 LEU QQD 6.06
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2=2894,2895,2896,2898,2899,2900,
&end
#
# 107 MET QB 107 MET QE 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1631,1632,
igr2=1638,1639,1640,
&end
#
# 110 PHE QD 118 LEU QQD 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1674,1682,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 110 PHE QE 118 LEU QQD 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1676,1680,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 111 SER QB 114 ASP QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1690,1691,
igr2=1730,1731,
&end
#
# 112 PRO QB 113 GLU H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1704,1705,
&end
#
# 112 PRO QB 123 THR QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1704,1705,
igr2=1866,1867,1868,
&end
#
# 113 GLU H 113 GLU QG 3.35
&rst
ixpk= 0, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1718,1719,
&end
#
# 113 GLU H 114 ASP QB 4.83
&rst
ixpk= 0, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1730,1731,
&end
#
# 113 GLU HA 113 GLU QG 3.36
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1718,1719,
&end
#
# 113 GLU HA 126 VAL QQG 5.31
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 113 GLU QB 116 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1715,1716,
igr2=1752,1753,1754,
&end
#
# 113 GLU QB 123 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=1715,1716,
igr2=1866,1867,1868,
&end
#
# 113 GLU QG 116 ALA QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1718,1719,
igr2=1752,1753,1754,
&end
#
# 113 GLU QG 123 THR QG2 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1718,1719,
igr2=1866,1867,1868,
&end
#
# 114 ASP HA 117 TYR QB 4.37
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1762,1763,
&end
#
# 114 ASP QB 115 ALA H 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1730,1731,
&end
#
# 115 ALA H 118 LEU QQD 5.40
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 115 ALA H 126 VAL QQG 4.96
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 115 ALA HA 118 LEU QQD 4.04
&rst
ixpk= 0, nxpk= 0, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 115 ALA HA 126 VAL QQG 4.78
&rst
ixpk= 0, nxpk= 0, iat=1740, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 115 ALA QB 118 LEU QQD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1=1742,1743,1744,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 115 ALA QB 126 VAL QQG 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1742,1743,1744,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 116 ALA H 126 VAL QQG 3.78
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 116 ALA HA 121 VAL QQG 3.60
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 116 ALA HA 126 VAL QQG 3.35
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 116 ALA QB 121 VAL QQG 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1752,1753,1754,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 116 ALA QB 122 ASP QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1752,1753,1754,
igr2=1852,1853,
&end
#
# 116 ALA QB 126 VAL QQG 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1752,1753,1754,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 117 TYR H 117 TYR QB 3.32
&rst
ixpk= 0, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1762,1763,
&end
#
# 117 TYR H 121 VAL QQG 4.86
&rst
ixpk= 0, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 117 TYR H 126 VAL QQG 4.93
&rst
ixpk= 0, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 117 TYR QB 118 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1762,1763,
&end
#
# 117 TYR QD 118 LEU QQD 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1766,1775,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 117 TYR QE 118 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1768,1773,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 118 LEU H 118 LEU QQD 3.73
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 118 LEU HA 118 LEU QQD 3.67
&rst
ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1788,1789,1790,1792,1793,1794,
&end
#
# 118 LEU QQD 119 ILE QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1788,1789,1790,1792,1793,1794,
igr2=1804,1805,1806,
&end
#
# 119 ILE H 121 VAL QQG 4.64
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 119 ILE HA 120 GLU QG 4.83
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1824,1825,
&end
#
# 119 ILE HB 121 VAL QQG 3.68
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 119 ILE HG12 121 VAL QQG 3.67
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 119 ILE HG13 121 VAL QQG 3.85
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 119 ILE QD1 126 VAL QQG 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1811,1812,1813,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 120 GLU H 120 GLU QG 3.57
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1824,1825,
&end
#
# 120 GLU H 121 VAL QQG 4.63
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 120 GLU HA 120 GLU QG 3.48
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1824,1825,
&end
#
# 120 GLU HA 121 VAL QQG 4.76
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 120 GLU QB 121 VAL QQG 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=1821,1822,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL H 121 VAL QQG 2.98
&rst
ixpk= 0, nxpk= 0, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL HA 121 VAL QQG 2.93
&rst
ixpk= 0, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL HB 126 VAL QQG 5.08
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 121 VAL HB 129 LEU QQD 4.81
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 121 VAL QQG 122 ASP QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1838,1839,1840,1842,1843,1844,
igr2=1852,1853,
&end
#
# 121 VAL QQG 123 THR QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr1=1838,1839,1840,1842,1843,1844,
igr2=1866,1867,1868,
&end
#
# 121 VAL QQG 125 GLU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL QQG 125 GLU HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL QQG 125 GLU QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1838,1839,1840,1842,1843,1844,
igr2=1889,1890,
&end
#
# 121 VAL QQG 125 GLU QG 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1838,1839,1840,1842,1843,1844,
igr2=1892,1893,
&end
#
# 121 VAL QQG 126 VAL H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL QQG 126 VAL HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL QQG 126 VAL HB 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL QQG 126 VAL QQG 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1838,1839,1840,1842,1843,1844,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 121 VAL QQG 127 GLU H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1838,1839,1840,1842,1843,1844,
&end
#
# 121 VAL QQG 129 LEU QQD 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1838,1839,1840,1842,1843,1844,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 122 ASP H 122 ASP QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1852,1853,
&end
#
# 122 ASP H 125 GLU QB 3.82
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1889,1890,
&end
#
# 122 ASP H 125 GLU QG 3.65
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1892,1893,
&end
#
# 122 ASP QB 124 SER H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1852,1853,
&end
#
# 122 ASP QB 125 GLU QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1852,1853,
igr2=1889,1890,
&end
#
# 122 ASP QB 125 GLU QG 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1852,1853,
igr2=1892,1893,
&end
#
# 123 THR HA 126 VAL QQG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 124 SER H 126 VAL QQG 5.21
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 124 SER HA 127 GLU QB 3.55
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1920,1921,
&end
#
# 125 GLU H 125 GLU QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1889,1890,
&end
#
# 125 GLU H 125 GLU QG 3.52
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1892,1893,
&end
#
# 125 GLU H 126 VAL QQG 5.14
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 125 GLU HA 125 GLU QG 3.08
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1892,1893,
&end
#
# 125 GLU HA 129 LEU QQD 4.47
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 125 GLU QB 126 VAL H 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1889,1890,
&end
#
# 125 GLU QB 129 LEU QQD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1889,1890,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 125 GLU QG 129 LEU QQD 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1892,1893,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 126 VAL H 126 VAL QQG 3.14
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1906,1907,1908,1910,1911,1912,
&end
#
# 126 VAL H 129 LEU QQD 4.64
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 126 VAL HA 129 LEU QQD 3.78
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 126 VAL QQG 127 GLU H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1906,1907,1908,1910,1911,1912,
&end
#
# 126 VAL QQG 127 GLU HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1906,1907,1908,1910,1911,1912,
&end
#
# 126 VAL QQG 129 LEU QQD 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1906,1907,1908,1910,1911,1912,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 127 GLU H 127 GLU QB 2.94
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1920,1921,
&end
#
# 127 GLU H 129 LEU QQD 5.36
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 127 GLU QB 128 THR H 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1920,1921,
&end
#
# 128 THR H 129 LEU QQD 4.92
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 128 THR HA 132 GLU QG 4.90
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2001,2002,
&end
#
# 128 THR HB 129 LEU QQD 4.85
&rst
ixpk= 0, nxpk= 0, iat=1935, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 128 THR QG2 129 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1937,1938,1939,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 128 THR QG2 132 GLU QG 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1937,1938,1939,
igr2=2001,2002,
&end
#
# 129 LEU H 129 LEU QB 3.49
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1949,1950,
&end
#
# 129 LEU H 129 LEU QQD 3.28
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 129 LEU HA 129 LEU QQD 2.88
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1954,1955,1956,1958,1959,1960,
&end
#
# 129 LEU QQD 132 GLU H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1954,1955,1956,1958,1959,1960,
&end
#
# 131 THR H 132 GLU QG 4.85
&rst
ixpk= 0, nxpk= 0, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2001,2002,
&end
#
# 131 THR HB 132 GLU QB 4.57
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1998,1999,
&end
#
# 131 THR QG2 132 GLU QG 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1986,1987,1988,
igr2=2001,2002,
&end
#
# 132 GLU H 132 GLU QB 3.11
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1998,1999,
&end
#
# 132 GLU H 132 GLU QG 3.62
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2001,2002,
&end
#
# 132 GLU HA 132 GLU QG 3.47
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2001,2002,
&end
#
# 132 GLU QB 133 ALA H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1998,1999,
&end
#
# 132 GLU QG 133 ALA H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2001,2002,
&end
#
# 132 GLU QG 133 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=2001,2002,
igr2=2013,2014,2015,
&end
#
# 134 LEU H 134 LEU QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2023,2024,
&end
#
# 134 LEU QB 134 LEU QD1 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2023,2024,
igr2=2028,2029,2030,
&end
#
# 134 LEU QB 134 LEU QD2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=2023,2024,
igr2=2032,2033,2034,
&end
#
# 135 ALA QB 136 GLU QG 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2042,2043,2044,
igr2=2055,2056,
&end
#
# 136 GLU H 136 GLU QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2052,2053,
&end
#
# 136 GLU H 136 GLU QG 3.60
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2055,2056,
&end
#
# 136 GLU QB 137 ILE HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2052,2053,
&end
#
# 136 GLU QG 140 GLN HE21 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2055,2056,
&end
#
# 137 ILE H 137 ILE QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2073,2074,
&end
#
# 137 ILE HA 137 ILE QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2073,2074,
&end
#
# 137 ILE HA 140 GLN QG 4.56
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2126,2127,
&end
#
# 137 ILE QG2 137 ILE QG1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=2069,2070,2071,
igr2=2073,2074,
&end
#
# 137 ILE QG2 140 GLN QG 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2069,2070,2071,
igr2=2126,2127,
&end
#
# 137 ILE QG2 185 MET QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2069,2070,2071,
igr2=2845,2846,
&end
#
# 139 LYS H 139 LYS QG 3.90
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2104,2105,
&end
#
# 139 LYS HA 139 LYS QG 3.51
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2104,2105,
&end
#
# 139 LYS QG 140 GLN HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2104,2105,
&end
#
# 139 LYS QG 140 GLN QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=2104,2105,
igr2=2123,2124,
&end
#
# 139 LYS QG 140 GLN QG 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=2104,2105,
igr2=2126,2127,
&end
#
# 140 GLN H 140 GLN QB 3.30
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2123,2124,
&end
#
# 140 GLN H 140 GLN QG 3.66
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2126,2127,
&end
#
# 140 GLN HA 140 GLN QG 3.37
&rst
ixpk= 0, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2126,2127,
&end
#
# 140 GLN QB 141 THR H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2123,2124,
&end
#
# 140 GLN QB 142 ARG QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=2123,2124,
igr2=2160,2161,
&end
#
# 140 GLN QG 141 THR QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=2126,2127,
igr2=2142,2143,2144,
&end
#
# 140 GLN QG 142 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=2126,2127,
igr2=2160,2161,
&end
#
# 142 ARG H 142 ARG QG 3.69
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2157,2158,
&end
#
# 142 ARG QG 143 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2157,2158,
&end
#
# 143 ALA HA 144 LEU QQD 4.26
&rst
ixpk= 0, nxpk= 0, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2193,2194,2195,2197,2198,2199,
&end
#
# 146 LEU HA 146 LEU QQD 3.62
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2227,2228,2229,2231,2232,2233,
&end
#
# 147 VAL H 147 VAL QQG 3.15
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2243,2244,2245,2247,2248,2249,
&end
#
# 161 LEU H 161 LEU QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=2462, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2466,2467,
&end
#
# 161 LEU HA 161 LEU QQD 3.86
&rst
ixpk= 0, nxpk= 0, iat=2464, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2471,2472,2473,2475,2476,2477,
&end
#
# 161 LEU HA 162 PRO QD 2.85
&rst
ixpk= 0, nxpk= 0, iat=2464, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2482,2483,
&end
#
# 161 LEU QB 162 PRO QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2466,2467,
igr2=2482,2483,
&end
#
# 161 LEU QQD 162 PRO QD 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2471,2472,2473,2475,2476,2477,
igr2=2482,2483,
&end
#
# 164 ASN HA 164 ASN QD2 4.25
&rst
ixpk= 0, nxpk= 0, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2511,2512,
&end
#
# 166 ASP QB 167 LYS HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2552, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2542,2543,
&end
#
# 169 ALA HA 170 SER QB 4.85
&rst
ixpk= 0, nxpk= 0, iat=2596, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2608,2609,
&end
#
# 169 ALA QB 170 SER QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2598,2599,2600,
igr2=2608,2609,
&end
#
# 172 LYS HA 172 LYS QG 3.43
&rst
ixpk= 0, nxpk= 0, iat=2628, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=2633,2634,
&end
#
# 172 LYS QB 172 LYS QD 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=2630,2631,
igr2=2636,2637,
&end
#
# 172 LYS QG 172 LYS QD 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr1=2633,2634,
igr2=2636,2637,
&end
#
# 176 ALA HA 178 VAL QQG 5.21
&rst
ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=2733,2734,2735,2737,2738,2739,
&end
#
# 177 LYS HA 178 VAL QQG 4.64
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=2733,2734,2735,2737,2738,2739,
&end
#
# 177 LYS QB 177 LYS QE 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2709,2710,
igr2=2718,2719,
&end
#
# 177 LYS QG 177 LYS QD 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr1=2712,2713,
igr2=2715,2716,
&end
#
# 177 LYS QG 177 LYS QE 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2712,2713,
igr2=2718,2719,
&end
#
# 177 LYS QG 178 VAL H 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2727, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2712,2713,
&end
#
# 177 LYS QG 178 VAL HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2729, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2712,2713,
&end
#
# 177 LYS QG 178 VAL QQG 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=2712,2713,
igr2=2733,2734,2735,2737,2738,2739,
&end
#
# 177 LYS QD 178 VAL QQG 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2715,2716,
igr2=2733,2734,2735,2737,2738,2739,
&end
#
# 177 LYS QE 178 VAL QQG 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2718,2719,
igr2=2733,2734,2735,2737,2738,2739,
&end
#
# 178 VAL H 178 VAL QQG 4.03
&rst
ixpk= 0, nxpk= 0, iat=2727, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2733,2734,2735,2737,2738,2739,
&end
#
# 178 VAL HA 178 VAL QQG 2.93
&rst
ixpk= 0, nxpk= 0, iat=2729, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2733,2734,2735,2737,2738,2739,
&end
#
# 178 VAL HB 179 GLN QE2 4.62
&rst
ixpk= 0, nxpk= 0, iat=2731, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2755,2756,
&end
#
# 178 VAL QQG 179 GLN H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2743, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=2733,2734,2735,2737,2738,2739,
&end
#
# 178 VAL QQG 179 GLN HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2733,2734,2735,2737,2738,2739,
&end
#
# 178 VAL QQG 179 GLN QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=2733,2734,2735,2737,2738,2739,
igr2=2747,2748,
&end
#
# 178 VAL QQG 179 GLN QG 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=2733,2734,2735,2737,2738,2739,
igr2=2750,2751,
&end
#
# 180 SER HA 181 LYS QB 5.16
&rst
ixpk= 0, nxpk= 0, iat=2762, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2775,2776,
&end
#
# 180 SER HA 181 LYS QG 5.20
&rst
ixpk= 0, nxpk= 0, iat=2762, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2778,2779,
&end
#
# 181 LYS HA 181 LYS QG 3.53
&rst
ixpk= 0, nxpk= 0, iat=2773, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2778,2779,
&end
#
# 181 LYS QB 183 ARG H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2805, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2775,2776,
&end
#
# 181 LYS QG 181 LYS QD 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=2778,2779,
igr2=2781,2782,
&end
#
# 182 ASP H 182 ASP QB 3.62
&rst
ixpk= 0, nxpk= 0, iat=2793, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2797,2798,
&end
#
# 183 ARG QB 183 ARG QD 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=2809,2810,
igr2=2815,2816,
&end
#
# 183 ARG QB 184 ASP HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2831, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2809,2810,
&end
#
# 183 ARG QG 184 ASP H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2829, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=2812,2813,
&end
#
# 183 ARG QG 184 ASP HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2831, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2812,2813,
&end
#
# 183 ARG QG 184 ASP QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2812,2813,
igr2=2833,2834,
&end
#
# 184 ASP QB 187 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=2833,2834,
igr2=2869,2870,2871,
&end
#
# 185 MET H 185 MET QG 4.92
&rst
ixpk= 0, nxpk= 0, iat=2841, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2848,2849,
&end
#
# 185 MET QB 185 MET QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2845,2846,
igr2=2852,2853,2854,
&end
#
# 185 MET QB 189 LEU QQD 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2845,2846,
igr2=2894,2895,2896,2898,2899,2900,
&end
#
# 185 MET QG 185 MET QE 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2848,2849,
igr2=2852,2853,2854,
&end
#
# 185 MET QG 188 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=2848,2849,
igr2=2879,2880,2881,
&end
#
# 185 MET QG 189 LEU QQD 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2848,2849,
igr2=2894,2895,2896,2898,2899,2900,
&end
#
# 185 MET QE 189 LEU QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2852,2853,2854,
igr2=2889,2890,
&end
#
# 186 GLY H 189 LEU QQD 5.35
&rst
ixpk= 0, nxpk= 0, iat=2858, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2894,2895,2896,2898,2899,2900,
&end
#
# 188 ALA HA 191 SER QB 3.94
&rst
ixpk= 0, nxpk= 0, iat=2877, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2932,2933,
&end
#
# 188 ALA QB 189 LEU QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=2879,2880,2881,
igr2=2889,2890,
&end
#
# 188 ALA QB 189 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=2879,2880,2881,
igr2=2894,2895,2896,2898,2899,2900,
&end
#
# 188 ALA QB 191 SER QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2879,2880,2881,
igr2=2932,2933,
&end
#
# 189 LEU HA 189 LEU QQD 3.42
&rst
ixpk= 0, nxpk= 0, iat=2887, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2894,2895,2896,2898,2899,2900,
&end
#
# 189 LEU QQD 190 ARG H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2904, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=2894,2895,2896,2898,2899,2900,
&end
#
# 190 ARG H 191 SER QB 5.07
&rst
ixpk= 0, nxpk= 0, iat=2904, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2932,2933,
&end
#
# 191 SER HA 194 GLN QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=2930, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2974,2975,
&end
#
# 191 SER HA 194 GLN QG 4.33
&rst
ixpk= 0, nxpk= 0, iat=2930, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2977,2978,
&end
#
# 191 SER QB 192 ALA H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2939, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2932,2933,
&end
#
# 194 GLN H 194 GLN QG 4.87
&rst
ixpk= 0, nxpk= 0, iat=2970, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=2977,2978,
&end
#
# 194 GLN HA 194 GLN QE2 5.32
&rst
ixpk= 0, nxpk= 0, iat=2972, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2982,2983,
&end
#
# 194 GLN QB 195 LYS QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=2974,2975,
igr2=2991,2992,
&end
#
# 194 GLN QG 195 LYS H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2987, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2977,2978,
&end
#
# 194 GLN QG 195 LYS QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2977,2978,
igr2=2991,2992,
&end
#
# 194 GLN QG 198 GLU QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2977,2978,
igr2=3046,3047,
&end
#
# 194 GLN QG 198 GLU QG 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2977,2978,
igr2=3049,3050,
&end
#
# 194 GLN QE2 197 ILE QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=2982,2983,
igr2=3029,3030,3031,
&end
#
# 194 GLN QE2 198 GLU QG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2982,2983,
igr2=3049,3050,
&end
#
# 195 LYS H 195 LYS QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=2987, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2991,2992,
&end
#
# 195 LYS H 195 LYS QG 4.24
&rst
ixpk= 0, nxpk= 0, iat=2987, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2994,2995,
&end
#
# 195 LYS HA 198 GLU QB 4.31
&rst
ixpk= 0, nxpk= 0, iat=2989, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=3046,3047,
&end
#
# 195 LYS QG 195 LYS QD 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr1=2994,2995,
igr2=2997,2998,
&end
#
# 195 LYS QG 196 THR H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,3009, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2994,2995,
&end
#
# 195 LYS QG 196 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3011, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2994,2995,
&end
#
# 195 LYS QG 196 THR HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,3013, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2994,2995,
&end
#
# 195 LYS QG 197 ILE H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,3023, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2994,2995,
&end
#
# 197 ILE H 197 ILE QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=3033,3034,
&end
#
# 197 ILE HA 199 GLU QG 4.66
&rst
ixpk= 0, nxpk= 0, iat=3025, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=3064,3065,
&end
#
# 198 GLU H 199 GLU QG 4.69
&rst
ixpk= 0, nxpk= 0, iat=3042, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=3064,3065,
&end
#
# 199 GLU H 199 GLU QG 4.39
&rst
ixpk= 0, nxpk= 0, iat=3057, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=3064,3065,
&end
#
# 199 GLU HA 199 GLU QG 3.71
&rst
ixpk= 0, nxpk= 0, iat=3059, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=3064,3065,
&end
#
# 200 GLN H 200 GLN QB 3.03
&rst
ixpk= 0, nxpk= 0, iat=3072, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=3076,3077,
&end
#
# 200 GLN HA 200 GLN QE2 5.34
&rst
ixpk= 0, nxpk= 0, iat=3074, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=3084,3085,
&end
#
# 200 GLN QB 201 VAL H 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,3089, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=3076,3077,
&end
#
# 200 GLN QB 201 VAL QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=3076,3077,
igr2=3095,3096,3097,
&end
#
# 201 VAL QG1 202 PRO QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=3095,3096,3097,
igr2=3106,3107,
&end
#
# 202 PRO QB 205 MET H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,3146, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=3112,3113,
&end
#
# 202 PRO QB 203 ASP QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=3112,3113,
igr2=3123,3124,
&end
#
# 202 PRO QG 204 GLU HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,3138, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=3109,3110,
&end
#
# 202 PRO QG 205 MET QE 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=3109,3110,
igr2=3157,3158,3159,
&end
#
# 202 PRO QD 205 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=3106,3107,
igr2=3153,3154,
&end
#
# 202 PRO QD 205 MET QE 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=3106,3107,
igr2=3157,3158,3159,
&end
#
# 203 ASP HA 206 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat=3121, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 203 ASP QB 204 GLU H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,3131, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=3123,3124,
&end
#
# 204 GLU QB 207 ASP QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=3135,3136,
igr2=3186,3187,
&end
#
# 204 GLU QB 208 LEU QQD 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=3135,3136,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 204 GLU HG3 208 LEU QQD 4.84
&rst
ixpk= 0, nxpk= 0, iat=3139, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 205 MET QB 208 LEU QQD 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=3150,3151,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 206 LEU H 206 LEU QQD 4.17
&rst
ixpk= 0, nxpk= 0, iat=3163, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 206 LEU HA 206 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat=3165, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=3172,3173,3174,3176,3177,3178,
&end
#
# 207 ASP QB 208 LEU HG 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,3201, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=3186,3187,
&end
#
# 208 LEU HA 208 LEU QQD 3.64
&rst
ixpk= 0, nxpk= 0, iat=3196, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=3203,3204,3205,3207,3208,3209,
&end
#
# 208 LEU HA 209 LEU QQD 5.73
&rst
ixpk= 0, nxpk= 0, iat=3196, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 208 LEU HA 211 LYS QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=3196, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=3250,3251,
&end
#
# 208 LEU QB 212 LEU QQD 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=3198,3199,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 208 LEU QQD 209 LEU H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,3213, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=3203,3204,3205,3207,3208,3209,
&end
#
# 208 LEU QQD 209 LEU HB2 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,3217, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=3203,3204,3205,3207,3208,3209,
&end
#
# 208 LEU QQD 209 LEU QQD 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=3203,3204,3205,3207,3208,3209,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 208 LEU QQD 211 LYS QE 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=3203,3204,3205,3207,3208,3209,
igr2=3259,3260,
&end
#
# 208 LEU QQD 212 LEU QQD 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=3203,3204,3205,3207,3208,3209,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 209 LEU H 209 LEU QQD 4.12
&rst
ixpk= 0, nxpk= 0, iat=3213, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 209 LEU HA 209 LEU QQD 3.74
&rst
ixpk= 0, nxpk= 0, iat=3215, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=3222,3223,3224,3226,3227,3228,
&end
#
# 209 LEU QQD 210 ASN H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,3232, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=3222,3223,3224,3226,3227,3228,
&end
#
# 209 LEU QQD 211 LYS H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,3246, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=3222,3223,3224,3226,3227,3228,
&end
#
# 209 LEU QQD 212 LEU H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,3268, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=3222,3223,3224,3226,3227,3228,
&end
#
# 209 LEU QQD 212 LEU QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=3222,3223,3224,3226,3227,3228,
igr2=3272,3273,
&end
#
# 209 LEU QQD 212 LEU HG 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,3275, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=3222,3223,3224,3226,3227,3228,
&end
#
# 209 LEU QQD 213 ALA H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,3287, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=3222,3223,3224,3226,3227,3228,
&end
#
# 209 LEU QQD 213 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=3222,3223,3224,3226,3227,3228,
igr2=3291,3292,3293,
&end
#
# 211 LYS H 212 LEU QQD 5.54
&rst
ixpk= 0, nxpk= 0, iat=3246, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 211 LYS HA 211 LYS QG 3.65
&rst
ixpk= 0, nxpk= 0, iat=3248, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=3253,3254,
&end
#
# 211 LYS QB 212 LEU QQD 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=3250,3251,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 211 LYS QG 211 LYS QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=3253,3254,
igr2=3259,3260,
&end
#
# 212 LEU H 212 LEU QQD 4.32
&rst
ixpk= 0, nxpk= 0, iat=3268, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 212 LEU HA 212 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat=3270, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=3277,3278,3279,3281,3282,3283,
&end
#
# 212 LEU QB 213 ALA HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,3289, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=3272,3273,
&end
#
# 212 LEU QQD 213 ALA H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,3287, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=3277,3278,3279,3281,3282,3283,
&end
#
# 212 LEU QQD 213 ALA QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=3277,3278,3279,3281,3282,3283,
igr2=3291,3292,3293,
&end
#
# 213 ALA QB 214 LEU QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=3291,3292,3293,
igr2=3301,3302,
&end
#
# 214 LEU HA 214 LEU QQD 3.04
&rst
ixpk= 0, nxpk= 0, iat=3299, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=3306,3307,3308,3310,3311,3312,
&end
#
# 214 LEU HA 215 GLU QB 5.04
&rst
ixpk= 0, nxpk= 0, iat=3299, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=3320,3321,
&end
#
# 214 LEU HA 215 GLU QG 4.89
&rst
ixpk= 0, nxpk= 0, iat=3299, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=3323,3324,
&end
#
# 214 LEU QB 215 GLU H 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,3316, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=3301,3302,
&end
#
# 214 LEU QQD 215 GLU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,3316, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=3306,3307,3308,3310,3311,3312,
&end
#
# 214 LEU QQD 215 GLU HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,3318, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=3306,3307,3308,3310,3311,3312,
&end
#
# 215 GLU H 215 GLU QB 3.45
&rst
ixpk= 0, nxpk= 0, iat=3316, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=3320,3321,
&end
#
# 215 GLU H 215 GLU QG 3.88
&rst
ixpk= 0, nxpk= 0, iat=3316, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=3323,3324,
&end
#
# 215 GLU HA 215 GLU QG 3.46
&rst
ixpk= 0, nxpk= 0, iat=3318, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=3323,3324,
&end
#
# 215 GLU QB 216 LEU QQD 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=3320,3321,
igr2=3340,3341,3342,3344,3345,3346,
&end
#
# 215 GLU QG 216 LEU H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,3331, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=3323,3324,
&end
#
# 216 LEU H 216 LEU QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=3331, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=3335,3336,
&end
#
# 216 LEU H 216 LEU QQD 4.74
&rst
ixpk= 0, nxpk= 0, iat=3331, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=3340,3341,3342,3344,3345,3346,
&end
#
# 216 LEU QB 217 VAL HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,3352, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=3335,3336,
&end
#
# 216 LEU QQD 217 VAL H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,3350, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=3340,3341,3342,3344,3345,3346,
&end
#
# 217 VAL H 217 VAL QQG 3.35
&rst
ixpk= 0, nxpk= 0, iat=3350, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=3356,3357,3358,3360,3361,3362,
&end
#
# 217 VAL HA 217 VAL QQG 3.06
&rst
ixpk= 0, nxpk= 0, iat=3352, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=3356,3357,3358,3360,3361,3362,
&end
#
# 217 VAL HA 218 PRO QG 4.57
&rst
ixpk= 0, nxpk= 0, iat=3352, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=3370,3371,
&end
#
# 217 VAL QQG 218 PRO HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,3376, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=3356,3357,3358,3360,3361,3362,
&end
#
# 217 VAL QQG 218 PRO HD2 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,3367, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=3356,3357,3358,3360,3361,3362,
&end
#
# 217 VAL QQG 218 PRO HD3 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,3368, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=3356,3357,3358,3360,3361,3362,
&end
#
# 217 VAL QQG 219 ARG H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,3380, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=3356,3357,3358,3360,3361,3362,
&end
#
# 217 VAL QQG 219 ARG QD 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=3356,3357,3358,3360,3361,3362,
igr2=3390,3391,
&end
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