NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588675 |
2mz1   |
25469 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 1 ALA HA 42 ILE QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr2= 656, 657, 658,
&end
#
# 1 ALA HA 43 VAL HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 6, 671, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 1 ALA HA 45 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 1 ALA QB 2 SER HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 2 SER QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 8, 9, 10,
igr2= 18, 19,
&end
#
# 1 ALA QB 42 ILE H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 42 ILE HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 42 ILE HB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 42 ILE QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 8, 9, 10,
igr2= 663, 664, 665,
&end
#
# 1 ALA QB 42 ILE QG2 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 8, 9, 10,
igr2= 656, 657, 658,
&end
#
# 1 ALA QB 43 VAL HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 43 VAL QQG 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 8, 9, 10,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 1 ALA QB 44 GLY H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 44 GLY QA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 8, 9, 10,
igr2= 687, 688,
&end
#
# 1 ALA QB 45 CYS H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 45 CYS HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 45 CYS QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 8, 9, 10,
igr2= 696, 697,
&end
#
# 1 ALA QB 54 VAL QQG 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1= 8, 9, 10,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 2 SER HA 2 SER QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 18, 19,
&end
#
# 2 SER HA 44 GLY QA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 687, 688,
&end
#
# 2 SER HA 3 ASN H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 16, 25, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 2 SER HA 3 ASN HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 16, 27, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 2 SER HA 3 ASN QB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 29, 30,
&end
#
# 2 SER HA 4 VAL H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 16, 39, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 2 SER HA 4 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 16, 43, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 SER HA 4 VAL QQG 5.03
&rst
ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 2 SER QB 44 GLY QA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 18, 19,
igr2= 687, 688,
&end
#
# 2 SER QB 3 ASN H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 18, 19,
&end
#
# 2 SER QB 4 VAL H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 18, 19,
&end
#
# 2 SER QB 4 VAL HB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 18, 19,
&end
#
# 2 SER QB 4 VAL QQG 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 18, 19,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 2 SER QB 5 THR QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 18, 19,
igr2= 61, 62, 63,
&end
#
# 3 ASN H 3 ASN QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 29, 30,
&end
#
# 3 ASN H 4 VAL H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 25, 39, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 3 ASN H 4 VAL HB 5.38
&rst
ixpk= 0, nxpk= 0, iat= 25, 43, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 3 ASN H 4 VAL QQG 4.32
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 3 ASN HA 46 SER HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 27, 705, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 3 ASN HA 46 SER QB 4.82
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 707, 708,
&end
#
# 3 ASN HA 4 VAL QQG 4.81
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 3 ASN HA 5 THR QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 61, 62, 63,
&end
#
# 3 ASN QB 46 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 29, 30,
&end
#
# 3 ASN QB 3 ASN QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 29, 30,
igr2= 34, 35,
&end
#
# 3 ASN QB 4 VAL QQG 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1= 29, 30,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 3 ASN QD2 4 VAL QQG 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 34, 35,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 4 VAL H 4 VAL HB 3.28
&rst
ixpk= 0, nxpk= 0, iat= 39, 43, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 4 VAL H 4 VAL QQG 3.11
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 4 VAL H 5 THR QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 61, 62, 63,
&end
#
# 4 VAL HA 4 VAL QQG 2.89
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 4 VAL HA 5 THR QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 61, 62, 63,
&end
#
# 4 VAL HA 6 ASN H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 41, 69, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 4 VAL HB 5 THR QG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 61, 62, 63,
&end
#
# 4 VAL QQG 5 THR H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 4 VAL QQG 5 THR HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 4 VAL QQG 5 THR HB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 4 VAL QQG 6 ASN H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 4 VAL QQG 6 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 4 VAL QQG 6 ASN QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 45, 46, 47, 49, 50, 51,
igr2= 73, 74,
&end
#
# 4 VAL QQG 7 LYS QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 45, 46, 47, 49, 50, 51,
igr2= 93, 94,
&end
#
# 4 VAL QQG 7 LYS QE 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 45, 46, 47, 49, 50, 51,
igr2= 96, 97,
&end
#
# 4 VAL QQG 7 LYS QG 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 45, 46, 47, 49, 50, 51,
igr2= 90, 91,
&end
#
# 5 THR H 6 ASN H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 55, 69, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 5 THR HA 16 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 232, 233,
&end
#
# 5 THR HA 43 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 5 THR HA 53 PHE QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 810, 811,
&end
#
# 5 THR HA 55 GLN HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 57, 846, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 5 THR HA 55 GLN HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 57, 847, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 5 THR HA 55 GLN QG 5.48
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 849, 850,
&end
#
# 5 THR HA 5 THR QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 61, 62, 63,
&end
#
# 5 THR HB 16 ARG HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= 59, 224, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 5 THR HB 16 ARG QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 232, 233,
&end
#
# 5 THR HB 16 ARG QG 4.69
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 229, 230,
&end
#
# 5 THR HB 53 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 59, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 THR HB 53 PHE QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 810, 811,
&end
#
# 5 THR HB 54 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 59, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 THR HB 55 GLN HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 59, 846, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 5 THR HB 55 GLN HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 59, 847, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 5 THR QG2 16 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 16 ARG QD 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 61, 62, 63,
igr2= 232, 233,
&end
#
# 5 THR QG2 44 GLY QA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 61, 62, 63,
igr2= 687, 688,
&end
#
# 5 THR QG2 45 CYS HA 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 46 SER HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 46 SER QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 61, 62, 63,
igr2= 707, 708,
&end
#
# 5 THR QG2 47 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 53 PHE H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 53 PHE HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 53 PHE QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 61, 62, 63,
igr2= 810, 811,
&end
#
# 5 THR QG2 54 VAL H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 54 VAL HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 55 GLN H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 55 GLN HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 55 GLN HB3 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 61, 62, 63,
&end
#
# 5 THR QG2 55 GLN QG 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 61, 62, 63,
igr2= 849, 850,
&end
#
# 6 ASN H 7 LYS H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 69, 83, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 6 ASN HA 7 LYS HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 71, 85, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 6 ASN HA 7 LYS QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 87, 88,
&end
#
# 6 ASN HA 7 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 90, 91,
&end
#
# 6 ASN HA 8 THR QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 111, 112, 113,
&end
#
# 6 ASN QB 8 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 73, 74,
igr2= 111, 112, 113,
&end
#
# 7 LYS H 7 LYS QG 4.18
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 90, 91,
&end
#
# 7 LYS H 8 THR H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 83, 105, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 7 LYS HA 9 ASP H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 85, 119, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 7 LYS HA 12 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 173, 174,
&end
#
# 7 LYS HA 7 LYS QD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 93, 94,
&end
#
# 7 LYS HA 7 LYS QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 96, 97,
&end
#
# 7 LYS HA 7 LYS QG 3.25
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 90, 91,
&end
#
# 7 LYS HA 8 THR H 2.48
&rst
ixpk= 0, nxpk= 0, iat= 85, 105, r1= 1.30, r2= 1.80, r3= 2.48, r4= 2.98, &end
#
# 7 LYS HA 8 THR QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 111, 112, 113,
&end
#
# 7 LYS QB 9 ASP H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 87, 88,
&end
#
# 7 LYS QB 12 SER QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 87, 88,
igr2= 173, 174,
&end
#
# 7 LYS QB 7 LYS QD 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 87, 88,
igr2= 93, 94,
&end
#
# 7 LYS QB 7 LYS QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 87, 88,
igr2= 96, 97,
&end
#
# 7 LYS QB 8 THR H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 87, 88,
&end
#
# 7 LYS QD 12 SER QB 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 93, 94,
igr2= 173, 174,
&end
#
# 7 LYS QD 7 LYS QE 2.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 93, 94,
igr2= 96, 97,
&end
#
# 7 LYS QD 8 THR H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 93, 94,
&end
#
# 7 LYS QE 12 SER HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 96, 97,
&end
#
# 7 LYS QE 12 SER QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 96, 97,
igr2= 173, 174,
&end
#
# 7 LYS QG 12 SER QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 90, 91,
igr2= 173, 174,
&end
#
# 7 LYS QG 7 LYS QD 2.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 90, 91,
igr2= 93, 94,
&end
#
# 7 LYS QG 7 LYS QE 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 90, 91,
igr2= 96, 97,
&end
#
# 7 LYS QG 8 THR H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 90, 91,
&end
#
# 8 THR H 9 ASP H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 105, 119, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 8 THR H 9 ASP HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 105, 121, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 8 THR H 8 THR QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 111, 112, 113,
&end
#
# 8 THR HA 13 MET H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 107, 180, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 8 THR HA 13 MET HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 107, 184, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 8 THR HA 13 MET HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 107, 185, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 8 THR HA 8 THR QG2 2.90
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 111, 112, 113,
&end
#
# 8 THR HB 9 ASP H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 109, 119, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 8 THR HB 13 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 109, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 THR HB 13 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 109, 185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 THR HB 13 MET QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 191, 192, 193,
&end
#
# 8 THR QG2 9 ASP H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 111, 112, 113,
&end
#
# 8 THR QG2 13 MET HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 111, 112, 113,
&end
#
# 8 THR QG2 13 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 111, 112, 113,
&end
#
# 8 THR QG2 13 MET QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 111, 112, 113,
igr2= 191, 192, 193,
&end
#
# 9 ASP H 9 ASP QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 123, 124,
&end
#
# 9 ASP H 12 SER QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 173, 174,
&end
#
# 9 ASP HA 10 PRO HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 9 ASP HA 10 PRO HG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 121, 135, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 9 ASP HA 10 PRO HG3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 121, 136, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 9 ASP HA 10 PRO QD 3.30
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 132, 133,
&end
#
# 9 ASP HA 12 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 121, 169, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 9 ASP HA 13 MET H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 121, 180, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 9 ASP QB 10 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 123, 124,
&end
#
# 9 ASP QB 10 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 123, 124,
&end
#
# 9 ASP QB 10 PRO HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 123, 124,
&end
#
# 9 ASP QB 10 PRO HG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 123, 124,
&end
#
# 9 ASP QB 10 PRO QD 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 123, 124,
igr2= 132, 133,
&end
#
# 9 ASP QB 13 MET H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 123, 124,
&end
#
# 9 ASP QB 13 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 123, 124,
&end
#
# 10 PRO HB2 11 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PRO HB2 11 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 138, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PRO QD 11 ARG H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 132, 133,
&end
#
# 11 ARG H 11 ARG HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 11 ARG H 11 ARG HG3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 145, 153, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 11 ARG H 11 ARG QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 149, 150,
&end
#
# 11 ARG H 11 ARG QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 155, 156,
&end
#
# 11 ARG H 12 SER H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 145, 169, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 11 ARG H 13 MET H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 145, 180, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 11 ARG H 13 MET HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 145, 185, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 11 ARG HA 11 ARG HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 11 ARG HA 11 ARG HG3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 147, 153, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 11 ARG HA 11 ARG QB 2.91
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 149, 150,
&end
#
# 11 ARG HA 11 ARG QD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 155, 156,
&end
#
# 11 ARG HA 14 ASN H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 147, 197, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 11 ARG HA 14 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 147, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG HA 14 ASN QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 201, 202,
&end
#
# 11 ARG HA 14 ASN QD2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 206, 207,
&end
#
# 11 ARG HG2 11 ARG QD 2.72
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 155, 156,
&end
#
# 11 ARG HG2 12 SER H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 152, 169, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 11 ARG HG2 14 ASN QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 201, 202,
&end
#
# 11 ARG HG3 11 ARG QD 2.70
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 155, 156,
&end
#
# 11 ARG HG3 12 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 153, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ARG QB 11 ARG HG3 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr1= 149, 150,
&end
#
# 11 ARG QB 11 ARG QD 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 149, 150,
igr2= 155, 156,
&end
#
# 11 ARG QB 12 SER H 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 149, 150,
&end
#
# 11 ARG QB 58 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 149, 150,
&end
#
# 11 ARG QD 12 SER H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 155, 156,
&end
#
# 11 ARG QD 15 SER QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 155, 156,
igr2= 215, 216,
&end
#
# 11 ARG QD 57 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 155, 156,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 11 ARG QD 58 ASN HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 155, 156,
&end
#
# 11 ARG QD 58 ASN HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 155, 156,
&end
#
# 12 SER H 12 SER QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 173, 174,
&end
#
# 12 SER H 13 MET H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 169, 180, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 12 SER H 13 MET HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 169, 185, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 12 SER H 14 ASN H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 169, 197, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 12 SER HA 15 SER H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 171, 211, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 12 SER QB 13 MET H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 173, 174,
&end
#
# 13 MET H 13 MET HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 13 MET H 13 MET HB3 3.10
&rst
ixpk= 0, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 13 MET H 13 MET QG 3.63
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 187, 188,
&end
#
# 13 MET H 14 ASN H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 180, 197, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 13 MET H 14 ASN HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 180, 199, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 13 MET H 14 ASN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 201, 202,
&end
#
# 13 MET H 15 SER H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 180, 211, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 13 MET HA 13 MET QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 191, 192, 193,
&end
#
# 13 MET HA 13 MET QG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 187, 188,
&end
#
# 13 MET HA 14 ASN HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 182, 199, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 13 MET HA 16 ARG H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 182, 222, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 MET HA 16 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 182, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 MET HA 16 ARG HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 182, 226, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 13 MET HA 84 ALA QB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1281,1282,1283,
&end
#
# 13 MET HA 85 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1291,1292,1293,
&end
#
# 13 MET HB2 13 MET QE 3.12
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 191, 192, 193,
&end
#
# 13 MET HB2 14 ASN QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 206, 207,
&end
#
# 13 MET HB2 85 ALA QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1291,1292,1293,
&end
#
# 13 MET HB3 13 MET QE 3.61
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 191, 192, 193,
&end
#
# 13 MET HB3 14 ASN QD2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 206, 207,
&end
#
# 13 MET HB3 85 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1291,1292,1293,
&end
#
# 13 MET QE 14 ASN QD2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 191, 192, 193,
igr2= 206, 207,
&end
#
# 13 MET QE 84 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 191, 192, 193,
igr2=1281,1282,1283,
&end
#
# 13 MET QE 85 ALA HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 191, 192, 193,
&end
#
# 13 MET QE 85 ALA QB 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 191, 192, 193,
igr2=1291,1292,1293,
&end
#
# 13 MET QG 14 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 187, 188,
&end
#
# 13 MET QG 14 ASN HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 187, 188,
&end
#
# 13 MET QG 14 ASN QD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 187, 188,
igr2= 206, 207,
&end
#
# 14 ASN H 14 ASN QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 201, 202,
&end
#
# 14 ASN H 14 ASN QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 206, 207,
&end
#
# 14 ASN H 15 SER H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 197, 211, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 14 ASN H 15 SER HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 197, 213, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 14 ASN H 16 ARG H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 197, 222, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 14 ASN HA 14 ASN QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 206, 207,
&end
#
# 14 ASN HA 16 ARG H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 199, 222, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 14 ASN HA 83 LEU QQD 3.24
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 14 ASN HA 85 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1291,1292,1293,
&end
#
# 14 ASN QB 14 ASN QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 201, 202,
igr2= 206, 207,
&end
#
# 14 ASN QB 15 SER H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 201, 202,
&end
#
# 14 ASN QB 15 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 201, 202,
igr2= 215, 216,
&end
#
# 14 ASN QB 16 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 201, 202,
&end
#
# 14 ASN QB 59 GLU H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 201, 202,
&end
#
# 14 ASN QB 59 GLU HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 201, 202,
&end
#
# 14 ASN QB 59 GLU HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 201, 202,
&end
#
# 14 ASN QB 62 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 201, 202,
igr2= 967, 968, 969,
&end
#
# 14 ASN QB 83 LEU QQD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 201, 202,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 14 ASN QB 85 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 201, 202,
igr2=1291,1292,1293,
&end
#
# 14 ASN QD2 15 SER H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 206, 207,
&end
#
# 14 ASN QD2 83 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 206, 207,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 14 ASN QD2 85 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 206, 207,
igr2=1291,1292,1293,
&end
#
# 15 SER H 15 SER QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 215, 216,
&end
#
# 15 SER H 16 ARG H 3.01
&rst
ixpk= 0, nxpk= 0, iat= 211, 222, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 15 SER H 16 ARG HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 211, 226, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 15 SER H 16 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 211, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 SER H 59 GLU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 211, 910, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 15 SER H 59 GLU HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 211, 914, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 15 SER H 59 GLU HB3 5.75
&rst
ixpk= 0, nxpk= 0, iat= 211, 915, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 15 SER H 62 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 967, 968, 969,
&end
#
# 15 SER HA 17 VAL QQG 5.26
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 15 SER HA 55 GLN QE2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 854, 855,
&end
#
# 15 SER HA 56 TYR QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 867, 876,
&end
#
# 15 SER HA 58 ASN H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 213, 896, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 15 SER HA 58 ASN HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 213, 898, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 15 SER HA 59 GLU H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 213, 910, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 15 SER HA 59 GLU HA 3.28
&rst
ixpk= 0, nxpk= 0, iat= 213, 912, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 15 SER HA 59 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 SER HA 59 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 917, 918,
&end
#
# 15 SER HA 60 ARG H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 213, 925, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 15 SER HA 62 ALA H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 213, 963, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 15 SER HA 62 ALA QB 2.87
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 967, 968, 969,
&end
#
# 15 SER HA 63 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 SER QB 16 ARG H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 215, 216,
&end
#
# 15 SER QB 16 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 215, 216,
&end
#
# 15 SER QB 17 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 215, 216,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 15 SER QB 55 GLN QE2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 215, 216,
igr2= 854, 855,
&end
#
# 15 SER QB 55 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 215, 216,
igr2= 849, 850,
&end
#
# 15 SER QB 56 TYR HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 215, 216,
&end
#
# 15 SER QB 56 TYR QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 215, 216,
igr2= 867, 876,
&end
#
# 15 SER QB 57 VAL HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 215, 216,
&end
#
# 15 SER QB 57 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 215, 216,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 15 SER QB 58 ASN H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 215, 216,
&end
#
# 15 SER QB 58 ASN HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 215, 216,
&end
#
# 15 SER QB 58 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 215, 216,
&end
#
# 15 SER QB 59 GLU H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 215, 216,
&end
#
# 15 SER QB 59 GLU HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 215, 216,
&end
#
# 15 SER QB 59 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 215, 216,
&end
#
# 15 SER QB 61 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 215, 216,
&end
#
# 15 SER QB 62 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 215, 216,
&end
#
# 15 SER QB 62 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= 215, 216,
igr2= 967, 968, 969,
&end
#
# 16 ARG H 16 ARG HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 16 ARG H 16 ARG HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 222, 227, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 16 ARG H 16 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 232, 233,
&end
#
# 16 ARG H 17 VAL H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 222, 246, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 16 ARG H 17 VAL QQG 5.07
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 16 ARG H 55 GLN QE2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 854, 855,
&end
#
# 16 ARG H 62 ALA QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 967, 968, 969,
&end
#
# 16 ARG H 83 LEU QQD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 16 ARG H 84 ALA H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 222,1277, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 16 ARG H 84 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1281,1282,1283,
&end
#
# 16 ARG HA 16 ARG QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 232, 233,
&end
#
# 16 ARG HA 16 ARG QG 4.01
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 229, 230,
&end
#
# 16 ARG HA 17 VAL HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 224, 248, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 ARG HA 17 VAL QQG 4.68
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 16 ARG HA 43 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 16 ARG HA 54 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG HA 54 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 16 ARG HA 55 GLN HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= 224, 844, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 16 ARG HA 55 GLN HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 224, 846, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 16 ARG HA 55 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 849, 850,
&end
#
# 16 ARG HA 56 TYR H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 224, 859, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 16 ARG HA 56 TYR QD 5.26
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 867, 876,
&end
#
# 16 ARG HA 84 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1281,1282,1283,
&end
#
# 16 ARG HB2 16 ARG HE 4.89
&rst
ixpk= 0, nxpk= 0, iat= 226, 235, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 16 ARG HB2 55 GLN HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 226, 844, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 16 ARG HB2 56 TYR H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 226, 859, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 16 ARG HB3 18 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 227, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG HB3 55 GLN QE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 854, 855,
&end
#
# 16 ARG HB3 84 ALA H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 227,1277, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 16 ARG HB3 84 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1281,1282,1283,
&end
#
# 16 ARG HE 84 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1281,1282,1283,
&end
#
# 16 ARG QD 53 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 232, 233,
&end
#
# 16 ARG QD 55 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 232, 233,
&end
#
# 16 ARG QD 84 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 232, 233,
igr2=1281,1282,1283,
&end
#
# 16 ARG QG 17 VAL H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 229, 230,
&end
#
# 16 ARG QG 17 VAL HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 229, 230,
&end
#
# 16 ARG QG 53 PHE QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 229, 230,
igr2= 810, 811,
&end
#
# 16 ARG QG 54 VAL H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 229, 230,
&end
#
# 16 ARG QG 55 GLN QE2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 229, 230,
igr2= 854, 855,
&end
#
# 17 VAL H 17 VAL QQG 4.29
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL H 54 VAL H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 246, 826, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 17 VAL H 56 TYR H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 246, 859, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 17 VAL HA 17 VAL QQG 3.24
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL HA 18 PHE H 2.95
&rst
ixpk= 0, nxpk= 0, iat= 248, 262, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 17 VAL HA 18 PHE QB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 266, 267,
&end
#
# 17 VAL HA 54 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 17 VAL HA 56 TYR QD 5.60
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 867, 876,
&end
#
# 17 VAL HA 56 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 869, 874,
&end
#
# 17 VAL HA 62 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 967, 968, 969,
&end
#
# 17 VAL HA 81 ILE QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1231,1232,1233,
&end
#
# 17 VAL HA 84 ALA QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1281,1282,1283,
&end
#
# 17 VAL HB 18 PHE H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 250, 262, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 17 VAL HB 19 ILE HG13 4.47
&rst
ixpk= 0, nxpk= 0, iat= 250, 293, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 17 VAL HB 19 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 295, 296, 297,
&end
#
# 17 VAL HB 36 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 VAL HB 54 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 250, 826, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 17 VAL HB 54 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 VAL HB 54 VAL HB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 250, 830, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 17 VAL HB 54 VAL QQG 4.08
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 17 VAL HB 56 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 867, 876,
&end
#
# 17 VAL HB 56 TYR QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 869, 874,
&end
#
# 17 VAL HB 62 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 VAL HB 81 ILE QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1231,1232,1233,
&end
#
# 17 VAL QQG 18 PHE H 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 18 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 18 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 270, 278,
&end
#
# 17 VAL QQG 19 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 19 ILE HG12 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 19 ILE HG13 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 19 ILE QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 295, 296, 297,
&end
#
# 17 VAL QQG 36 PHE QD 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 555, 563,
&end
#
# 17 VAL QQG 36 PHE QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 557, 561,
&end
#
# 17 VAL QQG 54 VAL H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 54 VAL HB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 54 VAL QQG 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 17 VAL QQG 55 GLN HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 55 GLN QE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 854, 855,
&end
#
# 17 VAL QQG 56 TYR QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 867, 876,
&end
#
# 17 VAL QQG 56 TYR QE 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 869, 874,
&end
#
# 17 VAL QQG 62 ALA H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 62 ALA HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 62 ALA QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 967, 968, 969,
&end
#
# 17 VAL QQG 65 ALA H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 65 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 65 ALA QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 252, 253, 254, 256, 257, 258,
igr2=1011,1012,1013,
&end
#
# 17 VAL QQG 66 VAL H 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 66 VAL QQG 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 252, 253, 254, 256, 257, 258,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 17 VAL QQG 81 ILE HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 17 VAL QQG 82 ASN H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 PHE H 18 PHE QB 3.43
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 266, 267,
&end
#
# 18 PHE H 18 PHE QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 270, 278,
&end
#
# 18 PHE H 19 ILE H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 262, 282, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 18 PHE H 81 ILE HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 262,1227, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 18 PHE H 81 ILE QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1231,1232,1233,
&end
#
# 18 PHE H 82 ASN H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 262,1244, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 18 PHE H 82 ASN HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 262,1246, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 18 PHE H 82 ASN QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1253,1254,
&end
#
# 18 PHE H 83 LEU H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 262,1258, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 18 PHE H 84 ALA H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 262,1277, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 PHE H 84 ALA HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= 262,1279, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 18 PHE H 84 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1281,1282,1283,
&end
#
# 18 PHE HA 18 PHE QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 270, 278,
&end
#
# 18 PHE HA 18 PHE QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 272, 276,
&end
#
# 18 PHE HA 19 ILE QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 295, 296, 297,
&end
#
# 18 PHE HA 52 ALA H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 264, 796, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 18 PHE HA 53 PHE HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= 264, 808, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 18 PHE HA 53 PHE QD 5.29
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 814, 822,
&end
#
# 18 PHE HA 54 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 264, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE HA 84 ALA HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 264,1279, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 18 PHE HA 84 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1281,1282,1283,
&end
#
# 18 PHE HZ 20 GLY HA2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 274, 303, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 18 PHE HZ 20 GLY HA3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 274, 304, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 18 PHE HZ 51 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE HZ 51 PHE HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 274, 780, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 18 PHE HZ 51 PHE HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 274, 781, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 18 PHE HZ 91 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE HZ 91 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1388,1389,
&end
#
# 18 PHE QB 19 ILE H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 266, 267,
&end
#
# 18 PHE QB 53 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 266, 267,
&end
#
# 18 PHE QB 53 PHE HZ 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 266, 267,
&end
#
# 18 PHE QB 53 PHE QD 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 266, 267,
igr2= 814, 822,
&end
#
# 18 PHE QB 82 ASN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 266, 267,
igr2=1248,1249,
&end
#
# 18 PHE QB 84 ALA H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 266, 267,
&end
#
# 18 PHE QB 84 ALA HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 266, 267,
&end
#
# 18 PHE QB 84 ALA QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 266, 267,
igr2=1281,1282,1283,
&end
#
# 18 PHE QD 19 ILE H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 270, 278,
&end
#
# 18 PHE QD 20 GLY H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 270, 278,
&end
#
# 18 PHE QD 20 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 270, 278,
&end
#
# 18 PHE QD 20 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 270, 278,
&end
#
# 18 PHE QD 52 ALA H 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 270, 278,
&end
#
# 18 PHE QD 53 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 270, 278,
&end
#
# 18 PHE QD 53 PHE QD 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 270, 278,
igr2= 814, 822,
&end
#
# 18 PHE QD 81 ILE HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 270, 278,
&end
#
# 18 PHE QD 82 ASN H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 270, 278,
&end
#
# 18 PHE QD 82 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 270, 278,
igr2=1248,1249,
&end
#
# 18 PHE QD 82 ASN QD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 270, 278,
igr2=1253,1254,
&end
#
# 18 PHE QD 84 ALA HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 270, 278,
&end
#
# 18 PHE QD 91 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 270, 278,
&end
#
# 18 PHE QE 20 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 272, 276,
&end
#
# 18 PHE QE 20 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 272, 276,
&end
#
# 18 PHE QE 51 PHE HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 272, 276,
&end
#
# 18 PHE QE 51 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 272, 276,
&end
#
# 19 ILE H 19 ILE HB 3.86
&rst
ixpk= 0, nxpk= 0, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 19 ILE H 19 ILE HG12 4.26
&rst
ixpk= 0, nxpk= 0, iat= 282, 292, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 19 ILE H 19 ILE HG13 4.61
&rst
ixpk= 0, nxpk= 0, iat= 282, 293, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 19 ILE H 19 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 295, 296, 297,
&end
#
# 19 ILE H 19 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 288, 289, 290,
&end
#
# 19 ILE H 20 GLY H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 282, 301, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 ILE H 51 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ILE H 52 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 282, 796, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 19 ILE H 53 PHE HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 282, 808, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 19 ILE HA 19 ILE HG12 3.30
&rst
ixpk= 0, nxpk= 0, iat= 284, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 19 ILE HA 19 ILE HG13 3.93
&rst
ixpk= 0, nxpk= 0, iat= 284, 293, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 19 ILE HA 19 ILE QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 295, 296, 297,
&end
#
# 19 ILE HA 19 ILE QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 288, 289, 290,
&end
#
# 19 ILE HA 20 GLY H 2.91
&rst
ixpk= 0, nxpk= 0, iat= 284, 301, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 19 ILE HA 36 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 557, 561,
&end
#
# 19 ILE HA 79 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 284,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ILE HA 80 ASP H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 284,1213, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 19 ILE HA 81 ILE HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= 284,1227, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 19 ILE HA 81 ILE HB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 284,1229, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 19 ILE HA 81 ILE HG12 3.58
&rst
ixpk= 0, nxpk= 0, iat= 284,1235, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 19 ILE HA 81 ILE HG13 4.49
&rst
ixpk= 0, nxpk= 0, iat= 284,1236, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 ILE HA 81 ILE QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1238,1239,1240,
&end
#
# 19 ILE HA 81 ILE QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1231,1232,1233,
&end
#
# 19 ILE HA 82 ASN H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 284,1244, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 19 ILE HB 19 ILE QD1 2.97
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 295, 296, 297,
&end
#
# 19 ILE HB 20 GLY H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 286, 301, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 19 ILE HB 20 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 286, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ILE HB 22 LEU QQD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 19 ILE HB 36 PHE HZ 5.48
&rst
ixpk= 0, nxpk= 0, iat= 286, 559, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 19 ILE HB 36 PHE QE 5.38
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 557, 561,
&end
#
# 19 ILE HB 52 ALA H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 286, 796, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 19 ILE HB 53 PHE HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 286, 808, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 19 ILE HB 81 ILE HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 286,1227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 19 ILE HB 81 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 286,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ILE HG12 32 VAL QQG 4.73
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 19 ILE HG12 36 PHE HZ 4.76
&rst
ixpk= 0, nxpk= 0, iat= 292, 559, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 19 ILE HG12 36 PHE QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 555, 563,
&end
#
# 19 ILE HG12 36 PHE QE 3.42
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 557, 561,
&end
#
# 19 ILE HG12 81 ILE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 292,1227, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 19 ILE HG12 81 ILE HG12 3.60
&rst
ixpk= 0, nxpk= 0, iat= 292,1235, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 ILE HG13 20 GLY H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 293, 301, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 19 ILE HG13 36 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat= 293, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 ILE HG13 36 PHE QD 5.27
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 555, 563,
&end
#
# 19 ILE HG13 36 PHE QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 557, 561,
&end
#
# 19 ILE HG13 81 ILE HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 293,1227, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 19 ILE HG13 81 ILE HG12 4.44
&rst
ixpk= 0, nxpk= 0, iat= 293,1235, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 19 ILE HG13 81 ILE HG13 5.44
&rst
ixpk= 0, nxpk= 0, iat= 293,1236, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 19 ILE HG13 81 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1238,1239,1240,
&end
#
# 19 ILE HG13 81 ILE QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1231,1232,1233,
&end
#
# 19 ILE QD1 22 LEU QQD 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 295, 296, 297,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 19 ILE QD1 32 VAL HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 32 VAL HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 32 VAL QQG 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 295, 296, 297,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 19 ILE QD1 35 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 295, 296, 297,
igr2= 534, 535, 536,
&end
#
# 19 ILE QD1 36 PHE HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 36 PHE HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 36 PHE HZ 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 36 PHE QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 295, 296, 297,
igr2= 555, 563,
&end
#
# 19 ILE QD1 36 PHE QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 295, 296, 297,
igr2= 557, 561,
&end
#
# 19 ILE QD1 47 VAL HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 47 VAL QQG 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
igr1= 295, 296, 297,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 19 ILE QD1 52 ALA H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 52 ALA HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 52 ALA QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 295, 296, 297,
igr2= 800, 801, 802,
&end
#
# 19 ILE QD1 53 PHE H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 53 PHE HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 54 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 54 VAL HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 54 VAL HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 54 VAL QQG 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 295, 296, 297,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 19 ILE QD1 56 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= 295, 296, 297,
igr2= 869, 874,
&end
#
# 19 ILE QD1 65 ALA QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 295, 296, 297,
igr2=1011,1012,1013,
&end
#
# 19 ILE QD1 79 LEU QQD 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 295, 296, 297,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 19 ILE QD1 81 ILE HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 81 ILE HG12 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 81 ILE HG13 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 295, 296, 297,
&end
#
# 19 ILE QD1 81 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 295, 296, 297,
igr2=1238,1239,1240,
&end
#
# 19 ILE QD1 81 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 295, 296, 297,
igr2=1231,1232,1233,
&end
#
# 19 ILE QG2 19 ILE HG12 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 19 ILE HG13 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 19 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= 288, 289, 290,
igr2= 295, 296, 297,
&end
#
# 19 ILE QG2 20 GLY H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 20 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 22 LEU H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 22 LEU HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 22 LEU HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 22 LEU HG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 22 LEU QQD 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 288, 289, 290,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 19 ILE QG2 36 PHE HZ 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 36 PHE QE 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 288, 289, 290,
igr2= 557, 561,
&end
#
# 19 ILE QG2 51 PHE HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 52 ALA H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 72 ARG HD2 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 74 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 288, 289, 290,
igr2=1138,1139,1140,
&end
#
# 19 ILE QG2 79 LEU HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 79 LEU HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 79 LEU HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 79 LEU HG 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 79 LEU QQD 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 288, 289, 290,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 19 ILE QG2 80 ASP H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 81 ILE HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 81 ILE HG12 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 81 ILE HG13 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 288, 289, 290,
&end
#
# 19 ILE QG2 81 ILE QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 288, 289, 290,
igr2=1238,1239,1240,
&end
#
# 19 ILE QG2 81 ILE QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 288, 289, 290,
igr2=1231,1232,1233,
&end
#
# 20 GLY H 21 ASN H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 20 GLY H 51 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY H 52 ALA H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 301, 796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 20 GLY H 80 ASP H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 301,1213, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 20 GLY H 80 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY H 80 ASP QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1217,1218,
&end
#
# 20 GLY H 81 ILE HA 3.55
&rst
ixpk= 0, nxpk= 0, iat= 301,1227, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 20 GLY H 81 ILE HG13 4.11
&rst
ixpk= 0, nxpk= 0, iat= 301,1236, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 20 GLY H 81 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1231,1232,1233,
&end
#
# 20 GLY HA2 22 LEU H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 303, 322, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 20 GLY HA2 22 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY HA2 51 PHE HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 303, 778, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 20 GLY HA2 51 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 784, 792,
&end
#
# 20 GLY HA2 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 800, 801, 802,
&end
#
# 20 GLY HA3 21 ASN HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 304, 310, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 20 GLY HA3 22 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 304, 322, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 20 GLY HA3 51 PHE HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= 304, 778, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 20 GLY HA3 51 PHE HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 304, 780, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 20 GLY HA3 51 PHE HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 304, 781, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 20 GLY HA3 52 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 304, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASN H 80 ASP H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 308,1213, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 21 ASN HA 22 LEU H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 310, 322, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 21 ASN HA 22 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASN HA 22 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASN HA 50 GLY QA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 771, 772,
&end
#
# 21 ASN HA 77 GLN HE22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 310,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 ASN HA 79 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 21 ASN HA 80 ASP QB 5.47
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1217,1218,
&end
#
# 21 ASN HB2 21 ASN HD22 4.09
&rst
ixpk= 0, nxpk= 0, iat= 312, 317, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 ASN HB2 22 LEU H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 312, 322, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 21 ASN HB2 80 ASP H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 312,1213, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 21 ASN HB2 80 ASP HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 312,1215, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 21 ASN HB2 80 ASP QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1217,1218,
&end
#
# 21 ASN HB3 21 ASN HD21 3.60
&rst
ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 21 ASN HB3 79 LEU HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= 313,1196, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 ASN HB3 79 LEU QQD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 21 ASN HB3 80 ASP H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 313,1213, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 21 ASN HB3 80 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1217,1218,
&end
#
# 21 ASN HD21 77 GLN HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 318,1168, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 21 ASN HD21 78 VAL HB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 318,1182, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 21 ASN HD21 78 VAL QQG 4.77
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 21 ASN HD21 79 LEU HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 318,1196, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 21 ASN HD21 80 ASP H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 318,1213, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 21 ASN HD22 77 GLN HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= 317,1163, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 21 ASN HD22 77 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 317,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASN HD22 77 GLN HG3 4.44
&rst
ixpk= 0, nxpk= 0, iat= 317,1169, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 21 ASN HD22 78 VAL H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 317,1178, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 21 ASN HD22 78 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 317,1182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 21 ASN HD22 78 VAL QQG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 21 ASN HD22 79 LEU HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 317,1196, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 21 ASN HD22 79 LEU QQD 5.46
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 22 LEU H 22 LEU HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 22 LEU H 22 LEU HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 22 LEU H 22 LEU HG 4.61
&rst
ixpk= 0, nxpk= 0, iat= 322, 329, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 22 LEU H 23 ASN H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 322, 341, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 LEU H 50 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU H 50 GLY QA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 771, 772,
&end
#
# 22 LEU H 51 PHE HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= 322, 778, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 22 LEU H 51 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU H 51 PHE HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 322, 781, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 22 LEU H 52 ALA H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 322, 796, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 22 LEU H 80 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU HA 22 LEU HG 3.88
&rst
ixpk= 0, nxpk= 0, iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 22 LEU HA 22 LEU QQD 3.17
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU HA 23 ASN H 3.06
&rst
ixpk= 0, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 22 LEU HA 23 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 324, 343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU HA 24 THR H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 324, 355, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 22 LEU HA 24 THR QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 361, 362, 363,
&end
#
# 22 LEU HA 51 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 324, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU HA 74 ILE QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1131,1132,1133,
&end
#
# 22 LEU HA 77 GLN HE22 4.73
&rst
ixpk= 0, nxpk= 0, iat= 324,1173, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 LEU HA 79 LEU HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= 324,1196, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 22 LEU HA 79 LEU HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 324,1199, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 LEU HA 79 LEU QQD 3.14
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 22 LEU HB2 22 LEU QQD 3.92
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU HB2 50 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 771, 772,
&end
#
# 22 LEU HB2 51 PHE HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= 326, 778, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 22 LEU HB2 51 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 326, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LEU HB2 52 ALA H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 326, 796, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 22 LEU HB3 22 LEU QQD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU HB3 23 ASN H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 327, 341, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 22 LEU HB3 24 THR H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 327, 355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 22 LEU HB3 51 PHE H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 327, 776, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 22 LEU HB3 51 PHE HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 327, 778, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 22 LEU HB3 51 PHE HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 327, 781, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 22 LEU HG 23 ASN H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 329, 341, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 22 LEU HG 23 ASN HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 329, 346, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 22 LEU HG 24 THR H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 329, 355, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 22 LEU HG 24 THR HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 329, 357, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 22 LEU HG 24 THR QG2 2.71
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 361, 362, 363,
&end
#
# 22 LEU HG 27 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 329, 408, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 22 LEU HG 77 GLN HE22 5.08
&rst
ixpk= 0, nxpk= 0, iat= 329,1173, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 LEU QQD 23 ASN H 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 23 ASN HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 24 THR H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 24 THR HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 24 THR HB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 24 THR QG2 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 361, 362, 363,
&end
#
# 22 LEU QQD 26 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 27 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 27 VAL HB 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 27 VAL QQG 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 410, 411, 412, 414, 415, 416,
&end
#
# 22 LEU QQD 32 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 32 VAL QQG 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 22 LEU QQD 36 PHE QE 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 557, 561,
&end
#
# 22 LEU QQD 47 VAL HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 47 VAL HB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 47 VAL QQG 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 22 LEU QQD 48 HIS H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 49 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 50 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 50 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 771, 772,
&end
#
# 22 LEU QQD 51 PHE H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 51 PHE HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 51 PHE HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 51 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 52 ALA H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 52 ALA HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 52 ALA QB 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 800, 801, 802,
&end
#
# 22 LEU QQD 74 ILE HB 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 74 ILE QD1 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 331, 332, 333, 335, 336, 337,
igr2=1138,1139,1140,
&end
#
# 22 LEU QQD 74 ILE QG2 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 331, 332, 333, 335, 336, 337,
igr2=1131,1132,1133,
&end
#
# 22 LEU QQD 75 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 331, 332, 333, 335, 336, 337,
igr2=1148,1149,1150,
&end
#
# 22 LEU QQD 79 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 22 LEU QQD 79 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 ASN H 23 ASN HB2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 341, 345, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 23 ASN H 23 ASN HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 23 ASN H 23 ASN HD21 5.06
&rst
ixpk= 0, nxpk= 0, iat= 341, 351, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 23 ASN H 24 THR H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 341, 355, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 23 ASN H 24 THR QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 361, 362, 363,
&end
#
# 23 ASN H 25 LEU H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 341, 369, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 23 ASN H 27 VAL HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 341, 408, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 23 ASN H 74 ILE QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1131,1132,1133,
&end
#
# 23 ASN H 75 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1148,1149,1150,
&end
#
# 23 ASN H 77 GLN H 5.65
&rst
ixpk= 0, nxpk= 0, iat= 341,1161, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 23 ASN H 77 GLN HE21 4.83
&rst
ixpk= 0, nxpk= 0, iat= 341,1174, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 23 ASN H 77 GLN HE22 4.40
&rst
ixpk= 0, nxpk= 0, iat= 341,1173, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 23 ASN H 77 GLN QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1165,1166,
&end
#
# 23 ASN H 79 LEU QQD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 23 ASN HA 23 ASN HD21 4.83
&rst
ixpk= 0, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 23 ASN HA 23 ASN HD22 4.97
&rst
ixpk= 0, nxpk= 0, iat= 343, 350, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 23 ASN HA 24 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HA 24 THR QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 361, 362, 363,
&end
#
# 23 ASN HA 25 LEU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 343, 369, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 23 ASN HA 25 LEU QQD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 23 ASN HA 74 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1131,1132,1133,
&end
#
# 23 ASN HA 75 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1148,1149,1150,
&end
#
# 23 ASN HA 77 GLN HE22 3.96
&rst
ixpk= 0, nxpk= 0, iat= 343,1173, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 23 ASN HA 77 GLN QB 5.37
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1165,1166,
&end
#
# 23 ASN HB2 23 ASN HD21 3.45
&rst
ixpk= 0, nxpk= 0, iat= 345, 351, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 23 ASN HB2 23 ASN HD22 4.05
&rst
ixpk= 0, nxpk= 0, iat= 345, 350, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 23 ASN HB2 24 THR H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 345, 355, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 23 ASN HB2 25 LEU H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 345, 369, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 23 ASN HB2 26 VAL H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 345, 388, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 23 ASN HB2 26 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 345, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HB2 27 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 345, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HB2 27 VAL QQG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 410, 411, 412, 414, 415, 416,
&end
#
# 23 ASN HB2 74 ILE QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1131,1132,1133,
&end
#
# 23 ASN HB2 75 ALA HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 345,1146, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 23 ASN HB2 75 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1148,1149,1150,
&end
#
# 23 ASN HB2 77 GLN H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 345,1161, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 23 ASN HB2 77 GLN HE21 4.53
&rst
ixpk= 0, nxpk= 0, iat= 345,1174, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 23 ASN HB2 77 GLN HE22 3.58
&rst
ixpk= 0, nxpk= 0, iat= 345,1173, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 23 ASN HB2 77 GLN QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1165,1166,
&end
#
# 23 ASN HB2 79 LEU QQD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 23 ASN HB3 23 ASN HD21 3.53
&rst
ixpk= 0, nxpk= 0, iat= 346, 351, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 23 ASN HB3 23 ASN HD22 3.61
&rst
ixpk= 0, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 23 ASN HB3 24 THR H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 346, 355, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 23 ASN HB3 25 LEU H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 346, 369, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 23 ASN HB3 25 LEU HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 346, 373, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 23 ASN HB3 26 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 346, 388, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 23 ASN HB3 26 VAL HB 4.40
&rst
ixpk= 0, nxpk= 0, iat= 346, 392, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 23 ASN HB3 26 VAL QQG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 23 ASN HB3 27 VAL H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 346, 404, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 23 ASN HB3 27 VAL QQG 3.91
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 410, 411, 412, 414, 415, 416,
&end
#
# 23 ASN HB3 74 ILE QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1131,1132,1133,
&end
#
# 23 ASN HB3 75 ALA HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 346,1146, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 23 ASN HB3 75 ALA QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1148,1149,1150,
&end
#
# 23 ASN HB3 77 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 346,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HB3 77 GLN HE22 4.68
&rst
ixpk= 0, nxpk= 0, iat= 346,1173, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 23 ASN HB3 77 GLN QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1165,1166,
&end
#
# 23 ASN HD21 24 THR H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 351, 355, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 23 ASN HD21 24 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 351, 357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HD21 25 LEU QQD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 23 ASN HD21 26 VAL HB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 351, 392, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 23 ASN HD21 26 VAL QQG 3.29
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 23 ASN HD21 27 VAL H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 351, 404, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 23 ASN HD21 75 ALA QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1148,1149,1150,
&end
#
# 23 ASN HD22 25 LEU H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 350, 369, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 23 ASN HD22 25 LEU HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 350, 373, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 23 ASN HD22 25 LEU HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 350, 374, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 23 ASN HD22 25 LEU QQD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 23 ASN HD22 26 VAL H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 350, 388, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 23 ASN HD22 26 VAL HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 350, 392, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 23 ASN HD22 26 VAL QQG 2.98
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 23 ASN HD22 27 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 350, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HD22 75 ALA HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 350,1146, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 23 ASN HD22 75 ALA QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1148,1149,1150,
&end
#
# 23 ASN HD22 77 GLN QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1165,1166,
&end
#
# 24 THR H 24 THR QG2 2.70
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 361, 362, 363,
&end
#
# 24 THR H 25 LEU H 3.38
&rst
ixpk= 0, nxpk= 0, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 24 THR H 25 LEU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 355, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 THR H 26 VAL H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 355, 388, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 24 THR H 27 VAL HB 3.87
&rst
ixpk= 0, nxpk= 0, iat= 355, 408, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 24 THR H 27 VAL QQG 4.07
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 410, 411, 412, 414, 415, 416,
&end
#
# 24 THR H 74 ILE QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1131,1132,1133,
&end
#
# 24 THR H 75 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1148,1149,1150,
&end
#
# 24 THR H 77 GLN HE22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 355,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 THR HA 24 THR HB 2.82
&rst
ixpk= 0, nxpk= 0, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 24 THR HA 24 THR QG2 2.89
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 361, 362, 363,
&end
#
# 24 THR HA 26 VAL H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 357, 388, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 24 THR HA 27 VAL H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 357, 404, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 24 THR HA 27 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 357, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 THR HA 27 VAL HB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 357, 408, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 24 THR HA 27 VAL QQG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 410, 411, 412, 414, 415, 416,
&end
#
# 24 THR HA 28 LYS HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 357, 422, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 24 THR HA 47 VAL QQG 4.08
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 24 THR HB 25 LEU H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 359, 369, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 24 THR HB 25 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 THR HB 26 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 THR HB 27 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 THR HB 47 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 THR HB 47 VAL QQG 3.29
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 24 THR HB 49 LYS HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= 359, 749, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 24 THR QG2 25 LEU H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 26 VAL H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 27 VAL HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 28 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 48 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 49 LYS HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 50 GLY H 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 50 GLY QA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 361, 362, 363,
igr2= 771, 772,
&end
#
# 24 THR QG2 51 PHE H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 51 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 361, 362, 363,
&end
#
# 24 THR QG2 77 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 361, 362, 363,
&end
#
# 25 LEU H 25 LEU HA 2.88
&rst
ixpk= 0, nxpk= 0, iat= 369, 371, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 25 LEU H 25 LEU HB2 2.61
&rst
ixpk= 0, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 25 LEU H 25 LEU QQD 2.92
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 25 LEU H 26 VAL H 2.90
&rst
ixpk= 0, nxpk= 0, iat= 369, 388, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 25 LEU H 27 VAL H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 369, 404, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 LEU H 75 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1148,1149,1150,
&end
#
# 25 LEU HA 25 LEU HB3 2.89
&rst
ixpk= 0, nxpk= 0, iat= 371, 374, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 25 LEU HA 25 LEU HG 3.86
&rst
ixpk= 0, nxpk= 0, iat= 371, 376, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 25 LEU HA 25 LEU QQD 2.67
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 25 LEU HA 26 VAL H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 371, 388, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 25 LEU HB2 25 LEU QQD 3.21
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 25 LEU HB2 26 VAL H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 25 LEU HB2 26 VAL HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 373, 390, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 25 LEU HB2 26 VAL HB 5.09
&rst
ixpk= 0, nxpk= 0, iat= 373, 392, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 25 LEU HB2 27 VAL H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 373, 404, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 25 LEU HB3 25 LEU QQD 2.96
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 25 LEU HB3 26 VAL H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 374, 388, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 LEU HB3 26 VAL HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 374, 390, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 25 LEU QQD 26 VAL H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 378, 379, 380, 382, 383, 384,
&end
#
# 26 VAL H 26 VAL HB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 26 VAL H 26 VAL QQG 2.77
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 26 VAL H 27 VAL H 2.61
&rst
ixpk= 0, nxpk= 0, iat= 388, 404, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 26 VAL H 27 VAL HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= 388, 406, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 26 VAL H 75 ALA QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1148,1149,1150,
&end
#
# 26 VAL HA 26 VAL QQG 2.46
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 26 VAL HA 28 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 433, 434,
&end
#
# 26 VAL HA 75 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1148,1149,1150,
&end
#
# 26 VAL HB 27 VAL H 3.24
&rst
ixpk= 0, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 26 VAL HB 27 VAL HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 392, 406, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 26 VAL HB 75 ALA HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= 392,1146, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 VAL QQG 75 ALA HA 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 394, 395, 396, 398, 399, 400,
&end
#
# 26 VAL QQG 75 ALA QB 2.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 394, 395, 396, 398, 399, 400,
igr2=1148,1149,1150,
&end
#
# 27 VAL H 27 VAL HB 2.66
&rst
ixpk= 0, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 27 VAL H 27 VAL QQG 2.82
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL H 28 LYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 27 VAL H 75 ALA QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1148,1149,1150,
&end
#
# 27 VAL HA 27 VAL QQG 2.82
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL HA 28 LYS H 2.40
&rst
ixpk= 0, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 27 VAL HA 28 LYS HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 27 VAL HA 28 LYS QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 424, 425,
&end
#
# 27 VAL HA 28 LYS QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 430, 431,
&end
#
# 27 VAL HA 28 LYS QG 5.22
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 427, 428,
&end
#
# 27 VAL HA 31 ASP HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 406, 479, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 27 VAL HA 31 ASP HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 406, 480, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 27 VAL HB 31 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 408, 480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL HB 32 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 27 VAL HB 74 ILE QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1131,1132,1133,
&end
#
# 27 VAL QQG 28 LYS H 2.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 28 LYS QB 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 410, 411, 412, 414, 415, 416,
igr2= 424, 425,
&end
#
# 27 VAL QQG 28 LYS QG 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 410, 411, 412, 414, 415, 416,
igr2= 427, 428,
&end
#
# 27 VAL QQG 29 LYS H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 29 LYS HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 30 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 31 ASP HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 31 ASP HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 31 ASP HB3 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 32 VAL H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 32 VAL HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 32 VAL HB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 410, 411, 412, 414, 415, 416,
&end
#
# 27 VAL QQG 32 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= 410, 411, 412, 414, 415, 416,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 27 VAL QQG 35 ILE QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 410, 411, 412, 414, 415, 416,
igr2= 534, 535, 536,
&end
#
# 27 VAL QQG 47 VAL QQG 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 410, 411, 412, 414, 415, 416,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 27 VAL QQG 52 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 410, 411, 412, 414, 415, 416,
igr2= 800, 801, 802,
&end
#
# 28 LYS H 28 LYS QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 424, 425,
&end
#
# 28 LYS H 28 LYS QD 3.55
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 430, 431,
&end
#
# 28 LYS H 28 LYS QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 433, 434,
&end
#
# 28 LYS H 28 LYS QG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 427, 428,
&end
#
# 28 LYS H 29 LYS HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 420, 444, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 28 LYS H 30 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 420, 464, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 28 LYS H 31 ASP H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 420, 475, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 28 LYS H 31 ASP HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 420, 479, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 28 LYS H 31 ASP HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat= 420, 480, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 28 LYS H 32 VAL H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 420, 487, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 28 LYS H 32 VAL QQG 4.55
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 28 LYS H 47 VAL QQG 5.11
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 28 LYS HA 28 LYS QD 3.65
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 430, 431,
&end
#
# 28 LYS HA 28 LYS QE 4.90
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 433, 434,
&end
#
# 28 LYS HA 28 LYS QG 3.48
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 427, 428,
&end
#
# 28 LYS HA 29 LYS H 2.81
&rst
ixpk= 0, nxpk= 0, iat= 422, 442, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 28 LYS HA 29 LYS HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 422, 444, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 28 LYS HA 29 LYS HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 422, 452, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 LYS HA 30 SER H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 422, 464, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 28 LYS HA 31 ASP H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 422, 475, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 LYS HA 47 VAL QQG 3.82
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 28 LYS HA 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 800, 801, 802,
&end
#
# 28 LYS QB 28 LYS QD 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 424, 425,
igr2= 430, 431,
&end
#
# 28 LYS QB 28 LYS QE 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 424, 425,
igr2= 433, 434,
&end
#
# 28 LYS QB 28 LYS QG 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 424, 425,
igr2= 427, 428,
&end
#
# 28 LYS QB 29 LYS H 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 424, 425,
&end
#
# 28 LYS QB 29 LYS HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 424, 425,
&end
#
# 28 LYS QB 30 SER H 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 424, 425,
&end
#
# 28 LYS QB 30 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 424, 425,
igr2= 468, 469,
&end
#
# 28 LYS QB 31 ASP H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 424, 425,
&end
#
# 28 LYS QB 31 ASP HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 424, 425,
&end
#
# 28 LYS QB 32 VAL H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 424, 425,
&end
#
# 28 LYS QD 28 LYS QE 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 430, 431,
igr2= 433, 434,
&end
#
# 28 LYS QD 31 ASP HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 430, 431,
&end
#
# 28 LYS QG 28 LYS QD 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 427, 428,
igr2= 430, 431,
&end
#
# 28 LYS QG 28 LYS QE 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 427, 428,
igr2= 433, 434,
&end
#
# 28 LYS QG 29 LYS H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 427, 428,
&end
#
# 28 LYS QG 30 SER H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 427, 428,
&end
#
# 28 LYS QG 30 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 427, 428,
igr2= 468, 469,
&end
#
# 29 LYS H 29 LYS HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 442, 446, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 29 LYS H 29 LYS HB3 2.86
&rst
ixpk= 0, nxpk= 0, iat= 442, 447, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 29 LYS H 29 LYS HD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 442, 452, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 29 LYS H 29 LYS HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 442, 449, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 LYS H 29 LYS HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 442, 450, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 29 LYS H 30 SER H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 29 LYS H 30 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 442, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS H 30 SER QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 468, 469,
&end
#
# 29 LYS H 31 ASP H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 442, 475, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 29 LYS H 32 VAL H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 442, 487, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 29 LYS H 47 VAL HB 4.20
&rst
ixpk= 0, nxpk= 0, iat= 442, 718, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 LYS H 47 VAL QQG 3.13
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HA 29 LYS HD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 29 LYS HA 29 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 444, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HA 29 LYS HG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 29 LYS HA 29 LYS HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 444, 450, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 29 LYS HA 29 LYS QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 455, 456,
&end
#
# 29 LYS HA 30 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 444, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HA 31 ASP H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 444, 475, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 29 LYS HA 32 VAL H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 444, 487, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 29 LYS HA 32 VAL HB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 444, 491, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 LYS HA 32 VAL QQG 3.09
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 29 LYS HA 33 GLU H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 444, 503, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 29 LYS HA 45 CYS QB 5.24
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 696, 697,
&end
#
# 29 LYS HA 47 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 444, 714, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 29 LYS HA 47 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 444, 716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HA 47 VAL HB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 444, 718, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 29 LYS HA 47 VAL QQG 3.02
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HA 54 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 29 LYS HB2 29 LYS QE 4.17
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 455, 456,
&end
#
# 29 LYS HB2 30 SER H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 446, 464, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 29 LYS HB2 46 SER HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 446, 705, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 29 LYS HB2 47 VAL QQG 4.52
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HB3 45 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 29 LYS HB3 46 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 447, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HB3 47 VAL H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 447, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 29 LYS HB3 47 VAL QQG 3.38
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HD2 30 SER H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 29 LYS HD2 47 VAL H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 452, 714, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 LYS HD2 47 VAL QQG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HD3 46 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HD3 47 VAL QQG 4.74
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HG2 29 LYS QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 455, 456,
&end
#
# 29 LYS HG2 30 SER H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 449, 464, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 29 LYS HG2 47 VAL QQG 3.87
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HG3 29 LYS QE 4.12
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 455, 456,
&end
#
# 29 LYS HG3 30 SER H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 29 LYS HG3 30 SER HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 450, 466, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 29 LYS QE 46 SER HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 455, 456,
&end
#
# 29 LYS QE 46 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 455, 456,
igr2= 707, 708,
&end
#
# 29 LYS QE 47 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 455, 456,
&end
#
# 29 LYS QE 47 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 455, 456,
&end
#
# 29 LYS QE 47 VAL QQG 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 455, 456,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 30 SER H 30 SER QB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 468, 469,
&end
#
# 30 SER H 31 ASP H 3.02
&rst
ixpk= 0, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 30 SER H 31 ASP HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 464, 477, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 30 SER H 31 ASP HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 464, 479, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 SER H 31 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 464, 480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER H 32 VAL H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 464, 487, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 30 SER H 32 VAL QQG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 30 SER H 47 VAL QQG 5.03
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 30 SER HA 30 SER QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 468, 469,
&end
#
# 30 SER HA 31 ASP H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 466, 475, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 30 SER HA 31 ASP HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 SER HA 32 VAL H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 466, 487, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 30 SER HA 33 GLU QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 507, 508,
&end
#
# 30 SER HA 33 GLU QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 510, 511,
&end
#
# 30 SER HA 34 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 522, 523, 524,
&end
#
# 30 SER QB 31 ASP H 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 468, 469,
&end
#
# 31 ASP H 31 ASP HB2 2.84
&rst
ixpk= 0, nxpk= 0, iat= 475, 479, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 31 ASP H 31 ASP HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 475, 480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ASP H 32 VAL H 2.90
&rst
ixpk= 0, nxpk= 0, iat= 475, 487, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 31 ASP H 32 VAL HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 475, 489, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 31 ASP H 32 VAL QQG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 31 ASP H 33 GLU H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 475, 503, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 31 ASP H 34 ALA H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 475, 518, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 31 ASP H 34 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 522, 523, 524,
&end
#
# 31 ASP H 35 ILE QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 541, 542, 543,
&end
#
# 31 ASP HA 32 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 477, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ASP HA 32 VAL QQG 4.92
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 31 ASP HA 33 GLU H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 477, 503, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 ASP HA 34 ALA H 3.63
&rst
ixpk= 0, nxpk= 0, iat= 477, 518, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 31 ASP HA 34 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 477, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ASP HA 34 ALA QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 522, 523, 524,
&end
#
# 31 ASP HA 35 ILE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 477, 528, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 31 ASP HA 35 ILE QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 541, 542, 543,
&end
#
# 31 ASP HB2 32 VAL H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 31 ASP HB2 32 VAL QQG 4.79
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 31 ASP HB2 34 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 522, 523, 524,
&end
#
# 31 ASP HB2 35 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 541, 542, 543,
&end
#
# 31 ASP HB3 32 VAL H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 31 ASP HB3 32 VAL QQG 4.52
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 31 ASP HB3 33 GLU H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 480, 503, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 31 ASP HB3 34 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 480, 518, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 31 ASP HB3 34 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 522, 523, 524,
&end
#
# 31 ASP HB3 35 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 541, 542, 543,
&end
#
# 31 ASP HB3 35 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 534, 535, 536,
&end
#
# 32 VAL H 32 VAL HB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 32 VAL H 32 VAL QQG 2.89
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL H 33 GLU H 3.02
&rst
ixpk= 0, nxpk= 0, iat= 487, 503, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 32 VAL H 33 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 511,
&end
#
# 32 VAL H 34 ALA H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 487, 518, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 32 VAL H 35 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 541, 542, 543,
&end
#
# 32 VAL H 45 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 32 VAL H 54 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 32 VAL HA 32 VAL QQG 3.24
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL HA 33 GLU H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 489, 503, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 32 VAL HA 33 GLU HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 489, 505, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 32 VAL HA 33 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 511,
&end
#
# 32 VAL HA 34 ALA H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 489, 518, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 32 VAL HA 35 ILE H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 489, 528, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 32 VAL HA 35 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 489, 530, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 VAL HA 35 ILE HB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 489, 532, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 32 VAL HA 35 ILE HG13 5.32
&rst
ixpk= 0, nxpk= 0, iat= 489, 539, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 32 VAL HA 35 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 541, 542, 543,
&end
#
# 32 VAL HA 35 ILE QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 534, 535, 536,
&end
#
# 32 VAL HA 36 PHE H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 489, 547, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 32 VAL HA 36 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 489, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 VAL HA 36 PHE HZ 5.70
&rst
ixpk= 0, nxpk= 0, iat= 489, 559, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 32 VAL HA 36 PHE QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 555, 563,
&end
#
# 32 VAL HA 36 PHE QE 4.37
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 557, 561,
&end
#
# 32 VAL HA 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 800, 801, 802,
&end
#
# 32 VAL HA 54 VAL QQG 4.69
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 32 VAL HB 33 GLU H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 32 VAL HB 36 PHE QD 4.73
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 555, 563,
&end
#
# 32 VAL HB 36 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 557, 561,
&end
#
# 32 VAL HB 42 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 663, 664, 665,
&end
#
# 32 VAL HB 47 VAL QQG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 32 VAL HB 52 ALA QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 800, 801, 802,
&end
#
# 32 VAL QQG 33 GLU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 33 GLU HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 34 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 35 ILE H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 35 ILE HB 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 35 ILE QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 541, 542, 543,
&end
#
# 32 VAL QQG 35 ILE QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 534, 535, 536,
&end
#
# 32 VAL QQG 36 PHE H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 36 PHE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 36 PHE HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 36 PHE HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 36 PHE HZ 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 36 PHE QD 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 555, 563,
&end
#
# 32 VAL QQG 36 PHE QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 557, 561,
&end
#
# 32 VAL QQG 42 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 663, 664, 665,
&end
#
# 32 VAL QQG 45 CYS QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 696, 697,
&end
#
# 32 VAL QQG 46 SER H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 47 VAL HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 47 VAL QQG 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 32 VAL QQG 52 ALA QB 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 800, 801, 802,
&end
#
# 32 VAL QQG 53 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 32 VAL QQG 54 VAL QQG 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 32 VAL QQG 56 TYR QE 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 869, 874,
&end
#
# 33 GLU H 33 GLU QB 2.66
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2= 507, 508,
&end
#
# 33 GLU H 33 GLU QG 3.36
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 510, 511,
&end
#
# 33 GLU H 34 ALA H 2.88
&rst
ixpk= 0, nxpk= 0, iat= 503, 518, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 33 GLU H 34 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 522, 523, 524,
&end
#
# 33 GLU H 35 ILE H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 503, 528, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 33 GLU H 42 ILE QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 663, 664, 665,
&end
#
# 33 GLU H 42 ILE QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 656, 657, 658,
&end
#
# 33 GLU H 54 VAL QQG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 33 GLU HA 33 GLU QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 510, 511,
&end
#
# 33 GLU HA 34 ALA H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 505, 518, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 33 GLU HA 34 ALA HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 505, 520, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 33 GLU HA 34 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 522, 523, 524,
&end
#
# 33 GLU HA 35 ILE H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 505, 528, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 33 GLU HA 36 PHE H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 505, 547, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 33 GLU HA 36 PHE HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 505, 551, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 33 GLU HA 36 PHE QD 5.04
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 555, 563,
&end
#
# 33 GLU HA 37 SER H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 505, 567, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 33 GLU HA 37 SER HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 505, 569, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 33 GLU HA 37 SER QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 571, 572,
&end
#
# 33 GLU HA 42 ILE H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 505, 650, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 33 GLU HA 42 ILE HB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 505, 654, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 33 GLU HA 42 ILE QD1 3.25
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 663, 664, 665,
&end
#
# 33 GLU HA 42 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 33 GLU HA 42 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 656, 657, 658,
&end
#
# 33 GLU HA 45 CYS QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 696, 697,
&end
#
# 33 GLU HA 54 VAL QQG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 33 GLU QB 34 ALA HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 507, 508,
&end
#
# 33 GLU QB 34 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 507, 508,
igr2= 522, 523, 524,
&end
#
# 33 GLU QB 36 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 507, 508,
&end
#
# 33 GLU QB 42 ILE QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 507, 508,
igr2= 663, 664, 665,
&end
#
# 33 GLU QB 45 CYS QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 507, 508,
igr2= 696, 697,
&end
#
# 33 GLU QB 54 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 507, 508,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 33 GLU QG 34 ALA H 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 510, 511,
&end
#
# 33 GLU QG 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= 510, 511,
igr2= 522, 523, 524,
&end
#
# 33 GLU QG 42 ILE QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 510, 511,
igr2= 663, 664, 665,
&end
#
# 33 GLU QG 42 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 510, 511,
igr2= 656, 657, 658,
&end
#
# 33 GLU QG 45 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 510, 511,
igr2= 696, 697,
&end
#
# 34 ALA H 34 ALA QB 2.55
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2= 522, 523, 524,
&end
#
# 34 ALA H 35 ILE HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 518, 530, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 34 ALA H 35 ILE HB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 518, 532, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 34 ALA H 35 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 541, 542, 543,
&end
#
# 34 ALA H 35 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 534, 535, 536,
&end
#
# 34 ALA H 36 PHE H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 518, 547, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 34 ALA H 37 SER H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 518, 567, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 34 ALA H 42 ILE QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 663, 664, 665,
&end
#
# 34 ALA HA 42 ILE QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 663, 664, 665,
&end
#
# 34 ALA QB 35 ILE H 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 522, 523, 524,
&end
#
# 34 ALA QB 35 ILE HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 522, 523, 524,
&end
#
# 34 ALA QB 35 ILE HG12 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 522, 523, 524,
&end
#
# 34 ALA QB 35 ILE QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 522, 523, 524,
igr2= 541, 542, 543,
&end
#
# 34 ALA QB 35 ILE QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 522, 523, 524,
igr2= 534, 535, 536,
&end
#
# 34 ALA QB 36 PHE H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 522, 523, 524,
&end
#
# 34 ALA QB 37 SER H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 522, 523, 524,
&end
#
# 35 ILE H 35 ILE HB 2.84
&rst
ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 35 ILE H 35 ILE HG13 2.95
&rst
ixpk= 0, nxpk= 0, iat= 528, 539, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 35 ILE H 35 ILE QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 541, 542, 543,
&end
#
# 35 ILE H 35 ILE QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 534, 535, 536,
&end
#
# 35 ILE H 36 PHE H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 528, 547, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 35 ILE H 36 PHE HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 528, 549, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 35 ILE H 36 PHE HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 528, 551, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 35 ILE H 36 PHE QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 555, 563,
&end
#
# 35 ILE H 36 PHE QE 5.43
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 557, 561,
&end
#
# 35 ILE H 37 SER H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 528, 567, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 35 ILE H 38 LYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 528, 578, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 35 ILE HA 35 ILE HG12 3.23
&rst
ixpk= 0, nxpk= 0, iat= 530, 538, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 35 ILE HA 35 ILE HG13 3.29
&rst
ixpk= 0, nxpk= 0, iat= 530, 539, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 35 ILE HA 35 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 541, 542, 543,
&end
#
# 35 ILE HA 35 ILE QG2 2.86
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 534, 535, 536,
&end
#
# 35 ILE HA 36 PHE QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 555, 563,
&end
#
# 35 ILE HA 37 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 530, 567, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 35 ILE HA 38 LYS H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 530, 578, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 35 ILE HA 38 LYS QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 588, 589,
&end
#
# 35 ILE HA 38 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 591, 592,
&end
#
# 35 ILE HB 35 ILE QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 541, 542, 543,
&end
#
# 35 ILE HB 36 PHE H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 35 ILE HB 36 PHE HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 35 ILE HB 36 PHE HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 532, 551, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 35 ILE HB 36 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 532, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ILE HB 36 PHE QD 3.31
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 555, 563,
&end
#
# 35 ILE HB 36 PHE QE 3.94
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 557, 561,
&end
#
# 35 ILE HB 37 SER H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 532, 567, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 35 ILE HB 74 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1138,1139,1140,
&end
#
# 35 ILE HG13 36 PHE H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 539, 547, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 35 ILE HG13 36 PHE QD 5.19
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 555, 563,
&end
#
# 35 ILE HG13 37 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, 567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ILE QD1 36 PHE QD 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 541, 542, 543,
igr2= 555, 563,
&end
#
# 35 ILE QD1 36 PHE QE 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 541, 542, 543,
igr2= 557, 561,
&end
#
# 35 ILE QD1 72 ARG HD2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 541, 542, 543,
&end
#
# 35 ILE QD1 74 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 541, 542, 543,
&end
#
# 35 ILE QG2 35 ILE HG12 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 35 ILE HG13 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 35 ILE QD1 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 534, 535, 536,
igr2= 541, 542, 543,
&end
#
# 35 ILE QG2 36 PHE H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 36 PHE HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 36 PHE HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 36 PHE HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 36 PHE HZ 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 36 PHE QD 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 534, 535, 536,
igr2= 555, 563,
&end
#
# 35 ILE QG2 36 PHE QE 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 534, 535, 536,
igr2= 557, 561,
&end
#
# 35 ILE QG2 37 SER H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 38 LYS H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 38 LYS QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 534, 535, 536,
igr2= 588, 589,
&end
#
# 35 ILE QG2 38 LYS QE 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 534, 535, 536,
igr2= 591, 592,
&end
#
# 35 ILE QG2 39 TYR QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 534, 535, 536,
igr2= 610, 615,
&end
#
# 35 ILE QG2 69 GLU HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 69 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 69 GLU HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 69 GLU QG 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 534, 535, 536,
igr2=1057,1058,
&end
#
# 35 ILE QG2 72 ARG HD2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 72 ARG HD3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 72 ARG HE 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 72 ARG HG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 74 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 74 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 74 ILE HG13 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 534, 535, 536,
&end
#
# 35 ILE QG2 74 ILE QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 534, 535, 536,
igr2=1138,1139,1140,
&end
#
# 36 PHE H 36 PHE HB2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 36 PHE H 36 PHE QD 2.74
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 555, 563,
&end
#
# 36 PHE H 37 SER H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 547, 567, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 36 PHE H 37 SER HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 547, 569, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 36 PHE H 37 SER QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 571, 572,
&end
#
# 36 PHE H 38 LYS H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 547, 578, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 36 PHE H 39 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 547, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE H 39 TYR QE 5.48
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 610, 615,
&end
#
# 36 PHE H 42 ILE QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 663, 664, 665,
&end
#
# 36 PHE H 54 VAL QQG 5.04
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 36 PHE HA 36 PHE QD 3.23
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 555, 563,
&end
#
# 36 PHE HA 36 PHE QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 557, 561,
&end
#
# 36 PHE HA 37 SER H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 549, 567, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 36 PHE HA 38 LYS H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 549, 578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 36 PHE HA 38 LYS HG3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 549, 586, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 36 PHE HA 39 TYR H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 549, 600, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 36 PHE HA 39 TYR HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 549, 604, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 36 PHE HA 39 TYR HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 549, 605, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 36 PHE HA 39 TYR QD 4.30
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 608, 617,
&end
#
# 36 PHE HA 39 TYR QE 4.10
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 610, 615,
&end
#
# 36 PHE HA 42 ILE QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 663, 664, 665,
&end
#
# 36 PHE HA 54 VAL QQG 5.19
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 36 PHE HA 65 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1011,1012,1013,
&end
#
# 36 PHE HB2 37 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 551, 567, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 36 PHE HB2 42 ILE QD1 3.17
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 663, 664, 665,
&end
#
# 36 PHE HB2 54 VAL QQG 3.81
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 36 PHE HB2 56 TYR QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 869, 874,
&end
#
# 36 PHE HB3 37 SER H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 36 PHE HB3 37 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, 569, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HB3 38 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HB3 39 TYR H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 552, 600, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 36 PHE HB3 42 ILE QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 663, 664, 665,
&end
#
# 36 PHE HB3 42 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 36 PHE HB3 54 VAL QQG 3.76
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 36 PHE HB3 65 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1011,1012,1013,
&end
#
# 36 PHE HZ 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 800, 801, 802,
&end
#
# 36 PHE HZ 69 GLU HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= 559,1052, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 36 PHE HZ 69 GLU HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 559,1054, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 36 PHE HZ 69 GLU HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 559,1055, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 36 PHE HZ 69 GLU QG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1057,1058,
&end
#
# 36 PHE HZ 74 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1138,1139,1140,
&end
#
# 36 PHE HZ 79 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HZ 79 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HZ 79 LEU QQD 4.01
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 36 PHE HZ 81 ILE HG12 3.88
&rst
ixpk= 0, nxpk= 0, iat= 559,1235, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 36 PHE HZ 81 ILE HG13 4.40
&rst
ixpk= 0, nxpk= 0, iat= 559,1236, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 36 PHE HZ 81 ILE QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1238,1239,1240,
&end
#
# 36 PHE HZ 81 ILE QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1231,1232,1233,
&end
#
# 36 PHE QD 36 PHE HZ 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 555, 563,
&end
#
# 36 PHE QD 37 SER H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 555, 563,
&end
#
# 36 PHE QD 39 TYR HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 555, 563,
&end
#
# 36 PHE QD 42 ILE QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 555, 563,
igr2= 663, 664, 665,
&end
#
# 36 PHE QD 42 ILE QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 555, 563,
igr2= 656, 657, 658,
&end
#
# 36 PHE QD 52 ALA QB 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 555, 563,
igr2= 800, 801, 802,
&end
#
# 36 PHE QD 54 VAL HB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 555, 563,
&end
#
# 36 PHE QD 54 VAL QQG 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 555, 563,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 36 PHE QD 56 TYR QE 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 555, 563,
igr2= 869, 874,
&end
#
# 36 PHE QD 65 ALA HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 555, 563,
&end
#
# 36 PHE QD 65 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 555, 563,
igr2=1011,1012,1013,
&end
#
# 36 PHE QD 66 VAL H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 555, 563,
&end
#
# 36 PHE QD 69 GLU HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 555, 563,
&end
#
# 36 PHE QD 69 GLU HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 555, 563,
&end
#
# 36 PHE QD 69 GLU QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 555, 563,
igr2=1057,1058,
&end
#
# 36 PHE QD 79 LEU QQD 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1= 555, 563,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 36 PHE QD 81 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 555, 563,
igr2=1238,1239,1240,
&end
#
# 36 PHE QD 81 ILE QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 555, 563,
igr2=1231,1232,1233,
&end
#
# 36 PHE QE 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 557, 561,
igr2= 800, 801, 802,
&end
#
# 36 PHE QE 54 VAL QQG 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 557, 561,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 36 PHE QE 65 ALA HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 557, 561,
&end
#
# 36 PHE QE 65 ALA QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 557, 561,
igr2=1011,1012,1013,
&end
#
# 36 PHE QE 66 VAL HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 557, 561,
&end
#
# 36 PHE QE 69 GLU HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 557, 561,
&end
#
# 36 PHE QE 69 GLU HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 557, 561,
&end
#
# 36 PHE QE 69 GLU HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 557, 561,
&end
#
# 36 PHE QE 69 GLU QG 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 557, 561,
igr2=1057,1058,
&end
#
# 36 PHE QE 70 ASP H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 557, 561,
&end
#
# 36 PHE QE 72 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 557, 561,
&end
#
# 36 PHE QE 74 ILE QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 557, 561,
igr2=1138,1139,1140,
&end
#
# 36 PHE QE 79 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 557, 561,
&end
#
# 36 PHE QE 79 LEU QQD 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 557, 561,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 36 PHE QE 81 ILE HA 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 557, 561,
&end
#
# 36 PHE QE 81 ILE HG12 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 557, 561,
&end
#
# 36 PHE QE 81 ILE QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 557, 561,
igr2=1238,1239,1240,
&end
#
# 36 PHE QE 81 ILE QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 557, 561,
igr2=1231,1232,1233,
&end
#
# 37 SER H 37 SER QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 571, 572,
&end
#
# 37 SER H 38 LYS H 2.99
&rst
ixpk= 0, nxpk= 0, iat= 567, 578, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 37 SER H 38 LYS HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 37 SER H 38 LYS HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 567, 583, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 37 SER H 38 LYS HG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 567, 585, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 37 SER H 38 LYS QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 588, 589,
&end
#
# 37 SER H 39 TYR H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 567, 600, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 SER H 40 GLY H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 567, 621, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 37 SER H 42 ILE QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 663, 664, 665,
&end
#
# 37 SER H 54 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 37 SER H 56 TYR QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 869, 874,
&end
#
# 37 SER HA 38 LYS H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 569, 578, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 37 SER HA 38 LYS HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 569, 580, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 37 SER HA 39 TYR H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 569, 600, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 37 SER HA 40 GLY H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 569, 621, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 37 SER HA 41 LYS HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= 569, 630, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 37 SER HA 42 ILE H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 569, 650, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 37 SER HA 42 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 569, 652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 SER HA 42 ILE HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 569, 654, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 37 SER HA 42 ILE QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 663, 664, 665,
&end
#
# 37 SER HA 42 ILE QG1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 660, 661,
&end
#
# 37 SER HA 42 ILE QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 656, 657, 658,
&end
#
# 37 SER HA 56 TYR QD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 867, 876,
&end
#
# 37 SER HA 56 TYR QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 869, 874,
&end
#
# 37 SER QB 38 LYS H 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 571, 572,
&end
#
# 37 SER QB 39 TYR H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 571, 572,
&end
#
# 37 SER QB 42 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 571, 572,
igr2= 663, 664, 665,
&end
#
# 37 SER QB 42 ILE QG1 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 571, 572,
igr2= 660, 661,
&end
#
# 38 LYS H 38 LYS HB3 2.79
&rst
ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 38 LYS H 38 LYS HG2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 578, 585, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 38 LYS H 38 LYS HG3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 578, 586, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 38 LYS H 38 LYS QD 3.17
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 588, 589,
&end
#
# 38 LYS H 39 TYR H 2.93
&rst
ixpk= 0, nxpk= 0, iat= 578, 600, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 38 LYS H 39 TYR HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 578, 604, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 38 LYS H 39 TYR QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 608, 617,
&end
#
# 38 LYS H 39 TYR QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 610, 615,
&end
#
# 38 LYS H 40 GLY H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 578, 621, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 38 LYS HA 38 LYS HB2 2.81
&rst
ixpk= 0, nxpk= 0, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 38 LYS HA 38 LYS HB3 2.97
&rst
ixpk= 0, nxpk= 0, iat= 580, 583, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 38 LYS HA 38 LYS HG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 38 LYS HA 38 LYS HG3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 580, 586, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 38 LYS HA 38 LYS QD 4.35
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 588, 589,
&end
#
# 38 LYS HA 38 LYS QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 591, 592,
&end
#
# 38 LYS HA 39 TYR HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 580, 602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 LYS HA 40 GLY H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 580, 621, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 38 LYS HB2 38 LYS QE 2.99
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 591, 592,
&end
#
# 38 LYS HB2 39 TYR H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 38 LYS HB2 39 TYR QE 5.47
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 610, 615,
&end
#
# 38 LYS HB3 38 LYS QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 588, 589,
&end
#
# 38 LYS HB3 38 LYS QE 4.25
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 591, 592,
&end
#
# 38 LYS HB3 39 TYR H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 38 LYS HB3 39 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 610, 615,
&end
#
# 38 LYS HG2 38 LYS QD 2.98
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 588, 589,
&end
#
# 38 LYS HG2 39 TYR H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 585, 600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 38 LYS HG2 39 TYR QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 608, 617,
&end
#
# 38 LYS HG2 39 TYR QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 610, 615,
&end
#
# 38 LYS HG2 40 GLY H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 585, 621, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 38 LYS HG3 38 LYS QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 591, 592,
&end
#
# 38 LYS HG3 39 TYR H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 586, 600, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 38 LYS HG3 39 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 586, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HG3 39 TYR QE 4.34
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 610, 615,
&end
#
# 38 LYS QD 38 LYS QE 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1= 588, 589,
igr2= 591, 592,
&end
#
# 38 LYS QD 39 TYR H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 588, 589,
&end
#
# 38 LYS QD 39 TYR QE 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 588, 589,
igr2= 610, 615,
&end
#
# 38 LYS QE 39 TYR QE 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 591, 592,
igr2= 610, 615,
&end
#
# 39 TYR H 39 TYR HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 39 TYR H 39 TYR HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 39 TYR H 39 TYR QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 610, 615,
&end
#
# 39 TYR H 40 GLY H 2.59
&rst
ixpk= 0, nxpk= 0, iat= 600, 621, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 39 TYR H 40 GLY QA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 623, 624,
&end
#
# 39 TYR H 65 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1011,1012,1013,
&end
#
# 39 TYR HA 39 TYR QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 608, 617,
&end
#
# 39 TYR HA 39 TYR QE 4.97
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 610, 615,
&end
#
# 39 TYR HA 64 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1001,1002,1003,
&end
#
# 39 TYR HA 65 ALA QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1011,1012,1013,
&end
#
# 39 TYR HB2 40 GLY H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 604, 621, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 39 TYR HB2 56 TYR QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 869, 874,
&end
#
# 39 TYR HB2 64 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1001,1002,1003,
&end
#
# 39 TYR HB2 65 ALA H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 604,1007, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 39 TYR HB2 65 ALA HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= 604,1009, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 39 TYR HB2 65 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1011,1012,1013,
&end
#
# 39 TYR HB2 69 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1057,1058,
&end
#
# 39 TYR HB3 40 GLY H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 605, 621, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 TYR HB3 40 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 623, 624,
&end
#
# 39 TYR HB3 56 TYR QE 5.31
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 869, 874,
&end
#
# 39 TYR HB3 61 ASN HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 605, 951, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 39 TYR HB3 64 ALA H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 605, 997, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 39 TYR HB3 64 ALA QB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1001,1002,1003,
&end
#
# 39 TYR HB3 65 ALA H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 605,1007, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 39 TYR HB3 65 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 605,1009, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 39 TYR HB3 65 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1011,1012,1013,
&end
#
# 39 TYR QD 64 ALA HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 608, 617,
&end
#
# 39 TYR QD 64 ALA QB 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 608, 617,
igr2=1001,1002,1003,
&end
#
# 39 TYR QD 65 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 608, 617,
&end
#
# 39 TYR QE 64 ALA QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 610, 615,
igr2=1001,1002,1003,
&end
#
# 39 TYR QE 65 ALA HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 610, 615,
&end
#
# 39 TYR QE 68 GLY H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 610, 615,
&end
#
# 39 TYR QE 68 GLY QA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 610, 615,
igr2=1045,1046,
&end
#
# 39 TYR QE 69 GLU QG 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 610, 615,
igr2=1057,1058,
&end
#
# 40 GLY H 40 GLY QA 2.78
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 623, 624,
&end
#
# 40 GLY H 41 LYS H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 621, 628, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 40 GLY H 42 ILE H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 621, 650, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 GLY H 54 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 40 GLY H 56 TYR QE 3.77
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 869, 874,
&end
#
# 40 GLY H 61 ASN HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 621, 954, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 40 GLY H 61 ASN HD21 5.03
&rst
ixpk= 0, nxpk= 0, iat= 621, 959, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 40 GLY H 64 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1001,1002,1003,
&end
#
# 40 GLY H 65 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1011,1012,1013,
&end
#
# 40 GLY QA 41 LYS H 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 623, 624,
&end
#
# 40 GLY QA 42 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 623, 624,
&end
#
# 40 GLY QA 56 TYR QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 623, 624,
igr2= 867, 876,
&end
#
# 40 GLY QA 56 TYR QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 623, 624,
igr2= 869, 874,
&end
#
# 40 GLY QA 61 ASN HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 623, 624,
&end
#
# 40 GLY QA 61 ASN HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 623, 624,
&end
#
# 40 GLY QA 61 ASN HD21 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 623, 624,
&end
#
# 40 GLY QA 61 ASN HD22 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 623, 624,
&end
#
# 41 LYS H 41 LYS HA 2.87
&rst
ixpk= 0, nxpk= 0, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 41 LYS H 41 LYS HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 628, 636, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 41 LYS H 41 LYS QB 2.61
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2= 632, 633,
&end
#
# 41 LYS H 41 LYS QE 5.65
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 641, 642,
&end
#
# 41 LYS H 42 ILE H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 628, 650, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 41 LYS H 56 TYR HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 628, 864, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 41 LYS H 56 TYR QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 867, 876,
&end
#
# 41 LYS H 56 TYR QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 869, 874,
&end
#
# 41 LYS H 57 VAL QQG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 41 LYS H 61 ASN HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 628, 953, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 41 LYS H 61 ASN HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 628, 954, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 41 LYS H 61 ASN HD22 4.54
&rst
ixpk= 0, nxpk= 0, iat= 628, 958, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 41 LYS HA 41 LYS HG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 41 LYS HA 41 LYS HG3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 630, 636, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 41 LYS HA 41 LYS QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 638, 639,
&end
#
# 41 LYS HA 41 LYS QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 641, 642,
&end
#
# 41 LYS HA 42 ILE H 2.40
&rst
ixpk= 0, nxpk= 0, iat= 630, 650, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 41 LYS HA 42 ILE QG1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 660, 661,
&end
#
# 41 LYS HA 56 TYR QD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 867, 876,
&end
#
# 41 LYS HA 56 TYR QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 869, 874,
&end
#
# 41 LYS HA 57 VAL QQG 4.84
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 41 LYS HG2 41 LYS QE 3.56
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 641, 642,
&end
#
# 41 LYS HG2 43 VAL HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 635, 671, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 41 LYS HG2 43 VAL QQG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 41 LYS HG2 56 TYR HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 635, 861, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 41 LYS HG2 57 VAL H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 635, 880, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 41 LYS HG2 57 VAL QQG 3.99
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 41 LYS HG3 41 LYS QE 2.94
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 641, 642,
&end
#
# 41 LYS HG3 42 ILE H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 636, 650, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 41 LYS HG3 42 ILE HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 636, 652, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 41 LYS HG3 43 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 636, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HG3 43 VAL QQG 4.55
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 41 LYS QB 57 VAL QQG 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 632, 633,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 41 LYS QD 41 LYS QE 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 41 LYS QD 43 VAL QQG 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 638, 639,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 41 LYS QD 57 VAL QQG 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 638, 639,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 41 LYS QE 42 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 641, 642,
&end
#
# 41 LYS QE 43 VAL HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 641, 642,
&end
#
# 41 LYS QE 43 VAL QQG 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 641, 642,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 41 LYS QE 57 VAL HB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 641, 642,
&end
#
# 41 LYS QE 57 VAL QQG 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 641, 642,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 ILE H 42 ILE HB 2.82
&rst
ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 42 ILE H 42 ILE QD1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 663, 664, 665,
&end
#
# 42 ILE H 42 ILE QG1 3.04
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 660, 661,
&end
#
# 42 ILE H 42 ILE QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 656, 657, 658,
&end
#
# 42 ILE H 43 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 650, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ILE H 56 TYR HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 650, 861, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 42 ILE H 56 TYR QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 867, 876,
&end
#
# 42 ILE H 56 TYR QE 4.41
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 869, 874,
&end
#
# 42 ILE H 57 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 ILE HA 42 ILE QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 663, 664, 665,
&end
#
# 42 ILE HA 42 ILE QG1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 660, 661,
&end
#
# 42 ILE HA 42 ILE QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 656, 657, 658,
&end
#
# 42 ILE HA 43 VAL H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 652, 669, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 42 ILE HA 43 VAL HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 652, 671, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 42 ILE HA 43 VAL QQG 4.41
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 42 ILE HA 44 GLY H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 652, 685, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 42 ILE HA 54 VAL QQG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 42 ILE HA 56 TYR HA 3.67
&rst
ixpk= 0, nxpk= 0, iat= 652, 861, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 42 ILE HA 56 TYR QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 867, 876,
&end
#
# 42 ILE HA 56 TYR QE 4.41
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 869, 874,
&end
#
# 42 ILE HA 57 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ILE HB 42 ILE QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 663, 664, 665,
&end
#
# 42 ILE HB 43 VAL H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 654, 669, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 42 ILE HB 45 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 42 ILE HB 54 VAL QQG 4.78
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 42 ILE HB 56 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 867, 876,
&end
#
# 42 ILE HB 56 TYR QE 5.19
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 869, 874,
&end
#
# 42 ILE QD1 43 VAL H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 663, 664, 665,
&end
#
# 42 ILE QD1 45 CYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 663, 664, 665,
&end
#
# 42 ILE QD1 45 CYS QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 663, 664, 665,
igr2= 696, 697,
&end
#
# 42 ILE QD1 54 VAL HB 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 663, 664, 665,
&end
#
# 42 ILE QD1 54 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= 663, 664, 665,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 42 ILE QD1 56 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 663, 664, 665,
&end
#
# 42 ILE QD1 56 TYR QD 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 663, 664, 665,
igr2= 867, 876,
&end
#
# 42 ILE QD1 56 TYR QE 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 663, 664, 665,
igr2= 869, 874,
&end
#
# 42 ILE QG1 43 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 660, 661,
&end
#
# 42 ILE QG1 54 VAL QQG 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 660, 661,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 42 ILE QG1 56 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 660, 661,
&end
#
# 42 ILE QG1 56 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= 660, 661,
igr2= 867, 876,
&end
#
# 42 ILE QG1 56 TYR QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 660, 661,
igr2= 869, 874,
&end
#
# 42 ILE QG2 42 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= 656, 657, 658,
igr2= 663, 664, 665,
&end
#
# 42 ILE QG2 42 ILE QG1 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 656, 657, 658,
igr2= 660, 661,
&end
#
# 42 ILE QG2 43 VAL H 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 656, 657, 658,
&end
#
# 42 ILE QG2 43 VAL HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 656, 657, 658,
&end
#
# 42 ILE QG2 44 GLY H 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 656, 657, 658,
&end
#
# 42 ILE QG2 44 GLY QA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 656, 657, 658,
igr2= 687, 688,
&end
#
# 42 ILE QG2 45 CYS HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 656, 657, 658,
&end
#
# 42 ILE QG2 45 CYS QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 656, 657, 658,
igr2= 696, 697,
&end
#
# 42 ILE QG2 54 VAL HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 656, 657, 658,
&end
#
# 42 ILE QG2 54 VAL HB 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 656, 657, 658,
&end
#
# 42 ILE QG2 54 VAL QQG 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 656, 657, 658,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 42 ILE QG2 55 GLN H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 656, 657, 658,
&end
#
# 42 ILE QG2 56 TYR HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 656, 657, 658,
&end
#
# 42 ILE QG2 56 TYR QD 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 656, 657, 658,
igr2= 867, 876,
&end
#
# 42 ILE QG2 56 TYR QE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 656, 657, 658,
igr2= 869, 874,
&end
#
# 43 VAL H 43 VAL HB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 43 VAL H 43 VAL QQG 3.10
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL H 44 GLY H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 669, 685, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 43 VAL H 44 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 687, 688,
&end
#
# 43 VAL H 54 VAL QQG 4.92
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 43 VAL H 55 GLN HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 669, 847, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 43 VAL H 56 TYR HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= 669, 861, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 43 VAL H 56 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 669, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 VAL H 57 VAL H 5.29
&rst
ixpk= 0, nxpk= 0, iat= 669, 880, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 43 VAL H 57 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 669, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 VAL H 57 VAL QQG 5.07
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 43 VAL HA 43 VAL QQG 2.82
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL HA 57 VAL QQG 5.40
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 43 VAL HB 44 GLY H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 673, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 43 VAL QQG 44 GLY H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 44 GLY QA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 675, 676, 677, 679, 680, 681,
igr2= 687, 688,
&end
#
# 43 VAL QQG 55 GLN HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 55 GLN HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 55 GLN QE2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 675, 676, 677, 679, 680, 681,
igr2= 854, 855,
&end
#
# 43 VAL QQG 55 GLN QG 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 675, 676, 677, 679, 680, 681,
igr2= 849, 850,
&end
#
# 43 VAL QQG 56 TYR H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 56 TYR HA 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 56 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 57 VAL H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 57 VAL HA 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 57 VAL HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 43 VAL QQG 57 VAL QQG 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 675, 676, 677, 679, 680, 681,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 43 VAL QQG 58 ASN H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 675, 676, 677, 679, 680, 681,
&end
#
# 44 GLY H 54 VAL HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 685, 828, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 44 GLY H 54 VAL QQG 4.82
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 44 GLY H 55 GLN H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 685, 842, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 44 GLY H 55 GLN HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 685, 846, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 44 GLY H 55 GLN HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 685, 847, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 44 GLY H 55 GLN QG 5.06
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 849, 850,
&end
#
# 44 GLY QA 45 CYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 687, 688,
&end
#
# 44 GLY QA 45 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 687, 688,
igr2= 696, 697,
&end
#
# 44 GLY QA 55 GLN H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 687, 688,
&end
#
# 44 GLY QA 55 GLN HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 687, 688,
&end
#
# 44 GLY QA 55 GLN HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 687, 688,
&end
#
# 45 CYS HA 46 SER H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 694, 703, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 45 CYS HA 46 SER HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 694, 705, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 45 CYS HA 53 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 694, 806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 CYS HA 54 VAL HA 3.39
&rst
ixpk= 0, nxpk= 0, iat= 694, 828, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 45 CYS HA 54 VAL QQG 4.31
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 45 CYS HA 55 GLN H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 694, 842, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 45 CYS HA 55 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 694, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 CYS QB 46 SER H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 696, 697,
&end
#
# 45 CYS QB 47 VAL QQG 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 696, 697,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 45 CYS QB 54 VAL HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 696, 697,
&end
#
# 45 CYS QB 54 VAL QQG 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 696, 697,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 46 SER H 47 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 46 SER H 52 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 800, 801, 802,
&end
#
# 46 SER H 53 PHE H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 703, 806, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 46 SER H 53 PHE QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 810, 811,
&end
#
# 46 SER H 54 VAL HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 703, 828, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 46 SER H 54 VAL QQG 4.83
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 46 SER HA 47 VAL H 2.71
&rst
ixpk= 0, nxpk= 0, iat= 705, 714, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 46 SER HA 47 VAL QQG 4.38
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 46 SER HA 48 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 SER HA 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 800, 801, 802,
&end
#
# 46 SER QB 47 VAL H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 707, 708,
&end
#
# 47 VAL H 47 VAL HB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 47 VAL H 47 VAL QQG 2.98
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL H 48 HIS HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 714, 743, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 47 VAL H 52 ALA QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 800, 801, 802,
&end
#
# 47 VAL H 53 PHE H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 714, 806, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 47 VAL HA 47 VAL QQG 3.21
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL HA 48 HIS H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 716, 730, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 47 VAL HA 48 HIS HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 716, 732, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 47 VAL HA 48 HIS HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 716, 734, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 47 VAL HA 48 HIS HD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 716, 743, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 47 VAL HA 52 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 716, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 VAL HA 52 ALA HA 3.29
&rst
ixpk= 0, nxpk= 0, iat= 716, 798, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 47 VAL HA 52 ALA QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 800, 801, 802,
&end
#
# 47 VAL HA 53 PHE H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 716, 806, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 47 VAL HB 48 HIS H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 718, 730, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 47 VAL HB 48 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 718, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 VAL HB 48 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 718, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 VAL HB 52 ALA HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 718, 798, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 47 VAL HB 52 ALA QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 800, 801, 802,
&end
#
# 47 VAL QQG 48 HIS H 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 48 HIS HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 48 HIS HD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 49 LYS H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 49 LYS HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 50 GLY H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 51 PHE H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 51 PHE HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 52 ALA HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 47 VAL QQG 52 ALA QB 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 720, 721, 722, 724, 725, 726,
igr2= 800, 801, 802,
&end
#
# 47 VAL QQG 53 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 48 HIS H 48 HIS HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 730, 734, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 48 HIS H 48 HIS HD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 730, 743, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 48 HIS H 49 LYS H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 48 HIS H 51 PHE H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 730, 776, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 48 HIS H 52 ALA HA 4.05
&rst
ixpk= 0, nxpk= 0, iat= 730, 798, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 48 HIS H 52 ALA QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 800, 801, 802,
&end
#
# 48 HIS H 53 PHE H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 730, 806, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 48 HIS HA 48 HIS HD2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 732, 743, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 48 HIS HA 49 LYS H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 48 HIS HA 49 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 754, 755,
&end
#
# 48 HIS HA 52 ALA QB 5.65
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 800, 801, 802,
&end
#
# 48 HIS HB2 49 LYS H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 734, 747, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 48 HIS HB2 51 PHE H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 734, 776, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 48 HIS HB2 51 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 784, 792,
&end
#
# 48 HIS HB3 49 LYS H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 735, 747, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 48 HIS HB3 49 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 735, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 HIS HB3 51 PHE H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 735, 776, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 48 HIS HD2 49 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 743, 747, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 HIS HD2 51 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 743, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 HIS HD2 51 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 743, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 HIS HD2 52 ALA H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 743, 796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 48 HIS HD2 52 ALA HA 3.60
&rst
ixpk= 0, nxpk= 0, iat= 743, 798, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 48 HIS HD2 52 ALA QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 800, 801, 802,
&end
#
# 48 HIS HD2 53 PHE H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 743, 806, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 48 HIS HD2 53 PHE QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 810, 811,
&end
#
# 48 HIS HD2 53 PHE QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 814, 822,
&end
#
# 49 LYS H 49 LYS QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 751, 752,
&end
#
# 49 LYS H 49 LYS QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 757, 758,
&end
#
# 49 LYS H 49 LYS QG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 754, 755,
&end
#
# 49 LYS H 50 GLY H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 747, 769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 49 LYS H 51 PHE H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 747, 776, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 49 LYS HA 49 LYS QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 757, 758,
&end
#
# 49 LYS HA 49 LYS QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 760, 761,
&end
#
# 49 LYS HA 49 LYS QG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 754, 755,
&end
#
# 49 LYS HA 50 GLY H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 749, 769, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 49 LYS HA 50 GLY QA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 771, 772,
&end
#
# 49 LYS HA 51 PHE H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 749, 776, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 49 LYS QB 49 LYS QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 751, 752,
igr2= 760, 761,
&end
#
# 49 LYS QB 50 GLY H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 751, 752,
&end
#
# 49 LYS QB 51 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 751, 752,
&end
#
# 49 LYS QD 49 LYS QE 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 757, 758,
igr2= 760, 761,
&end
#
# 49 LYS QD 50 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 757, 758,
&end
#
# 49 LYS QG 49 LYS QD 2.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 754, 755,
igr2= 757, 758,
&end
#
# 49 LYS QG 49 LYS QE 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 754, 755,
igr2= 760, 761,
&end
#
# 49 LYS QG 50 GLY H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 754, 755,
&end
#
# 50 GLY H 51 PHE H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 50 GLY QA 51 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 771, 772,
&end
#
# 50 GLY QA 51 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 771, 772,
igr2= 784, 792,
&end
#
# 51 PHE H 52 ALA H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 776, 796, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 51 PHE H 52 ALA HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 776, 798, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 51 PHE HA 51 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 784, 792,
&end
#
# 51 PHE HA 52 ALA H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 778, 796, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 51 PHE HA 52 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 800, 801, 802,
&end
#
# 51 PHE HB2 52 ALA H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 780, 796, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 51 PHE HB3 52 ALA H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 781, 796, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 51 PHE HB3 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 800, 801, 802,
&end
#
# 51 PHE QD 52 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 784, 792,
&end
#
# 51 PHE QD 52 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 784, 792,
igr2= 800, 801, 802,
&end
#
# 51 PHE QD 53 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 784, 792,
&end
#
# 52 ALA H 52 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 800, 801, 802,
&end
#
# 52 ALA QB 53 PHE H 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 800, 801, 802,
&end
#
# 52 ALA QB 53 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 800, 801, 802,
&end
#
# 53 PHE H 53 PHE QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 810, 811,
&end
#
# 53 PHE H 54 VAL H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 806, 826, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 53 PHE H 54 VAL QQG 4.46
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 53 PHE HA 53 PHE QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 814, 822,
&end
#
# 53 PHE HA 54 VAL H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 808, 826, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 53 PHE HA 54 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 808, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 PHE HA 54 VAL QQG 4.53
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 53 PHE QB 54 VAL H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 810, 811,
&end
#
# 53 PHE QD 54 VAL H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 814, 822,
&end
#
# 54 VAL H 54 VAL HB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 54 VAL H 54 VAL QQG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 54 VAL HA 54 VAL QQG 3.25
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 54 VAL HA 55 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 828, 847, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 VAL HB 56 TYR QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 869, 874,
&end
#
# 54 VAL QQG 55 GLN H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 832, 833, 834, 836, 837, 838,
&end
#
# 54 VAL QQG 55 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 832, 833, 834, 836, 837, 838,
&end
#
# 54 VAL QQG 56 TYR HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 832, 833, 834, 836, 837, 838,
&end
#
# 54 VAL QQG 56 TYR QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 832, 833, 834, 836, 837, 838,
igr2= 867, 876,
&end
#
# 54 VAL QQG 56 TYR QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 832, 833, 834, 836, 837, 838,
igr2= 869, 874,
&end
#
# 54 VAL QQG 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 832, 833, 834, 836, 837, 838,
igr2=1011,1012,1013,
&end
#
# 55 GLN H 56 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLN HA 55 GLN QE2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 854, 855,
&end
#
# 55 GLN HA 55 GLN QG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 849, 850,
&end
#
# 55 GLN HA 56 TYR H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 844, 859, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 55 GLN HA 56 TYR QD 5.29
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 867, 876,
&end
#
# 55 GLN HB2 56 TYR H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 55 GLN HB3 56 TYR H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 847, 859, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 55 GLN QE2 56 TYR H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 854, 855,
&end
#
# 55 GLN QE2 56 TYR HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 854, 855,
&end
#
# 55 GLN QE2 62 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 854, 855,
igr2= 967, 968, 969,
&end
#
# 55 GLN QG 56 TYR H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 849, 850,
&end
#
# 55 GLN QG 57 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 849, 850,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 TYR H 56 TYR HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 56 TYR H 56 TYR HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 859, 864, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 56 TYR H 56 TYR QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 867, 876,
&end
#
# 56 TYR H 57 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 859, 880, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 56 TYR H 62 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 967, 968, 969,
&end
#
# 56 TYR HA 56 TYR QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 867, 876,
&end
#
# 56 TYR HA 56 TYR QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 869, 874,
&end
#
# 56 TYR HA 57 VAL H 3.17
&rst
ixpk= 0, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 56 TYR HA 57 VAL HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 861, 882, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 56 TYR HA 57 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 861, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 TYR HA 57 VAL QQG 4.47
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 56 TYR HA 58 ASN H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 861, 896, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 56 TYR HA 61 ASN HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 861, 953, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 56 TYR HA 61 ASN HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 861, 954, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 56 TYR HB2 57 VAL H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 863, 880, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 56 TYR HB2 57 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 TYR HB2 58 ASN H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 863, 896, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 56 TYR HB2 61 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 TYR HB2 61 ASN HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 863, 953, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 56 TYR HB2 61 ASN HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 863, 954, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 56 TYR HB2 62 ALA H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 863, 963, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 56 TYR HB2 62 ALA HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= 863, 965, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 56 TYR HB2 62 ALA QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 967, 968, 969,
&end
#
# 56 TYR HB3 57 VAL H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 864, 880, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 56 TYR HB3 57 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 864, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 TYR HB3 58 ASN H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 864, 896, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 56 TYR HB3 58 ASN HD22 5.28
&rst
ixpk= 0, nxpk= 0, iat= 864, 905, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 56 TYR HB3 61 ASN H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 864, 949, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 56 TYR HB3 61 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 864, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 TYR HB3 61 ASN HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 864, 953, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 56 TYR HB3 61 ASN HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 864, 954, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 56 TYR HB3 61 ASN HD21 5.49
&rst
ixpk= 0, nxpk= 0, iat= 864, 959, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 56 TYR HB3 62 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 967, 968, 969,
&end
#
# 56 TYR QD 57 VAL H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 867, 876,
&end
#
# 56 TYR QD 58 ASN H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 867, 876,
&end
#
# 56 TYR QD 61 ASN HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 867, 876,
&end
#
# 56 TYR QD 61 ASN HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 867, 876,
&end
#
# 56 TYR QD 61 ASN HB3 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 867, 876,
&end
#
# 56 TYR QD 61 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 867, 876,
&end
#
# 56 TYR QD 62 ALA H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 867, 876,
&end
#
# 56 TYR QD 62 ALA HA 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 867, 876,
&end
#
# 56 TYR QD 62 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 867, 876,
igr2= 967, 968, 969,
&end
#
# 56 TYR QD 63 ARG H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 867, 876,
&end
#
# 56 TYR QD 64 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 867, 876,
&end
#
# 56 TYR QD 65 ALA H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 867, 876,
&end
#
# 56 TYR QD 65 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 867, 876,
igr2=1011,1012,1013,
&end
#
# 56 TYR QD 83 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 867, 876,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 56 TYR QE 61 ASN HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 869, 874,
&end
#
# 56 TYR QE 61 ASN HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 869, 874,
&end
#
# 56 TYR QE 61 ASN HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 869, 874,
&end
#
# 56 TYR QE 62 ALA HA 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 869, 874,
&end
#
# 56 TYR QE 62 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 869, 874,
igr2= 967, 968, 969,
&end
#
# 56 TYR QE 63 ARG H 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 869, 874,
&end
#
# 56 TYR QE 64 ALA H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 869, 874,
&end
#
# 56 TYR QE 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 869, 874,
igr2=1001,1002,1003,
&end
#
# 56 TYR QE 65 ALA H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 869, 874,
&end
#
# 56 TYR QE 65 ALA HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 869, 874,
&end
#
# 56 TYR QE 65 ALA QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 869, 874,
igr2=1011,1012,1013,
&end
#
# 56 TYR QE 66 VAL H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 869, 874,
&end
#
# 57 VAL H 57 VAL HB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 57 VAL H 57 VAL QQG 3.06
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 VAL H 58 ASN H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 880, 896, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 57 VAL H 58 ASN HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 880, 898, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 57 VAL H 58 ASN HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 880, 901, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 57 VAL H 61 ASN HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 880, 953, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 57 VAL H 61 ASN HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 880, 954, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 57 VAL HA 57 VAL QQG 2.95
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 VAL HA 58 ASN H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 882, 896, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 57 VAL HA 58 ASN HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 882, 898, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 57 VAL HB 58 ASN HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 884, 898, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 57 VAL HB 58 ASN HD21 3.94
&rst
ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 57 VAL HB 58 ASN HD22 4.91
&rst
ixpk= 0, nxpk= 0, iat= 884, 905, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 57 VAL HB 61 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 VAL QQG 58 ASN H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 57 VAL QQG 58 ASN HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 57 VAL QQG 58 ASN HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 57 VAL QQG 58 ASN HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 57 VAL QG1 58 ASN HD21 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 886, 887, 888,
&end
#
# 57 VAL QG1 58 ASN HD22 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 886, 887, 888,
&end
#
# 57 VAL QQG 61 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 58 ASN H 58 ASN HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 896, 900, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 ASN H 58 ASN HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 896, 901, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 58 ASN H 58 ASN HD21 3.78
&rst
ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 58 ASN H 59 GLU H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 896, 910, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 58 ASN H 60 ARG H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 896, 925, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 58 ASN H 60 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 896, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASN H 61 ASN H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 896, 949, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 58 ASN H 61 ASN HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 896, 953, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 58 ASN H 61 ASN HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 896, 954, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 58 ASN H 62 ALA H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 896, 963, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 58 ASN H 62 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 967, 968, 969,
&end
#
# 58 ASN HA 58 ASN HD21 3.88
&rst
ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 58 ASN HA 58 ASN HD22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 898, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 ASN HA 59 GLU H 2.83
&rst
ixpk= 0, nxpk= 0, iat= 898, 910, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 58 ASN HA 59 GLU HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 898, 912, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 58 ASN HA 59 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 898, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASN HA 59 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 898, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASN HA 60 ARG H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 898, 925, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 58 ASN HA 60 ARG HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 898, 930, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 58 ASN HA 61 ASN H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 898, 949, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 58 ASN HA 62 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 967, 968, 969,
&end
#
# 58 ASN HB2 58 ASN HD21 3.62
&rst
ixpk= 0, nxpk= 0, iat= 900, 906, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 58 ASN HB2 59 GLU H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 900, 910, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 58 ASN HB2 59 GLU HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 900, 915, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 58 ASN HB2 60 ARG H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 900, 925, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 58 ASN HB2 61 ASN H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 900, 949, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 58 ASN HB2 61 ASN HB2 5.75
&rst
ixpk= 0, nxpk= 0, iat= 900, 953, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 58 ASN HB3 58 ASN HD21 3.11
&rst
ixpk= 0, nxpk= 0, iat= 901, 906, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 58 ASN HB3 58 ASN HD22 4.05
&rst
ixpk= 0, nxpk= 0, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 58 ASN HB3 59 GLU H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 901, 910, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 58 ASN HB3 61 ASN HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 901, 953, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 58 ASN HD21 59 GLU H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 58 ASN HD21 60 ARG H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 906, 925, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 58 ASN HD21 60 ARG HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 906, 930, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 58 ASN HD21 60 ARG QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 935, 936,
&end
#
# 58 ASN HD21 60 ARG QG 5.11
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 932, 933,
&end
#
# 58 ASN HD21 61 ASN HD21 5.33
&rst
ixpk= 0, nxpk= 0, iat= 906, 959, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 58 ASN HD21 61 ASN HD22 5.45
&rst
ixpk= 0, nxpk= 0, iat= 906, 958, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 58 ASN HD22 59 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 910, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASN HD22 60 ARG H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 905, 925, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 58 ASN HD22 60 ARG HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 905, 929, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 58 ASN HD22 60 ARG HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 905, 930, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 58 ASN HD22 60 ARG QD 5.70
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 935, 936,
&end
#
# 58 ASN HD22 60 ARG QG 5.31
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 932, 933,
&end
#
# 58 ASN HD22 61 ASN HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= 905, 951, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 58 ASN HD22 61 ASN HD21 4.96
&rst
ixpk= 0, nxpk= 0, iat= 905, 959, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 58 ASN HD22 61 ASN HD22 4.95
&rst
ixpk= 0, nxpk= 0, iat= 905, 958, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 59 GLU H 59 GLU HB2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 910, 914, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 59 GLU H 59 GLU HB3 3.23
&rst
ixpk= 0, nxpk= 0, iat= 910, 915, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 59 GLU H 59 GLU QG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 917, 918,
&end
#
# 59 GLU H 60 ARG H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 910, 925, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 59 GLU H 61 ASN H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 910, 949, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 59 GLU H 62 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 910, 963, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 59 GLU H 62 ALA QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 967, 968, 969,
&end
#
# 59 GLU HA 59 GLU QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 917, 918,
&end
#
# 59 GLU HA 60 ARG HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 912, 927, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 59 GLU HA 62 ALA H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 912, 963, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 59 GLU HA 62 ALA QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 967, 968, 969,
&end
#
# 59 GLU HA 63 ARG H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 912, 973, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 59 GLU HA 83 LEU QQD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 59 GLU HB2 62 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 967, 968, 969,
&end
#
# 59 GLU HB2 83 LEU QQD 5.05
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 59 GLU HB3 60 ARG H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 915, 925, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 59 GLU HB3 60 ARG HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 915, 927, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 59 GLU HB3 60 ARG HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 915, 930, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 59 GLU HB3 61 ASN H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 915, 949, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 59 GLU QG 60 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 917, 918,
&end
#
# 59 GLU QG 60 ARG HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 917, 918,
&end
#
# 59 GLU QG 60 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 929, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 917, 918,
&end
#
# 59 GLU QG 62 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 917, 918,
igr2= 967, 968, 969,
&end
#
# 59 GLU QG 63 ARG H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 917, 918,
&end
#
# 59 GLU QG 63 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 917, 918,
&end
#
# 59 GLU QG 63 ARG HE 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 917, 918,
&end
#
# 59 GLU QG 63 ARG QD 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 917, 918,
igr2= 983, 984,
&end
#
# 59 GLU QG 63 ARG QG 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 917, 918,
igr2= 980, 981,
&end
#
# 59 GLU QG 83 LEU QQD 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 917, 918,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 60 ARG H 60 ARG HA 2.79
&rst
ixpk= 0, nxpk= 0, iat= 925, 927, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 60 ARG H 60 ARG HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 925, 929, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 60 ARG H 60 ARG HB3 2.58
&rst
ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 60 ARG H 60 ARG QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 935, 936,
&end
#
# 60 ARG H 60 ARG QG 5.17
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 932, 933,
&end
#
# 60 ARG H 61 ASN H 2.98
&rst
ixpk= 0, nxpk= 0, iat= 925, 949, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 60 ARG H 61 ASN HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 925, 953, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 60 ARG H 62 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 925, 963, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 60 ARG H 62 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 967, 968, 969,
&end
#
# 60 ARG HA 60 ARG HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 927, 930, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 ARG HA 60 ARG QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 935, 936,
&end
#
# 60 ARG HA 60 ARG QG 3.93
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 932, 933,
&end
#
# 60 ARG HA 61 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 927, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ARG HA 62 ALA H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 927, 963, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 60 ARG HA 62 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 967, 968, 969,
&end
#
# 60 ARG HA 63 ARG H 3.71
&rst
ixpk= 0, nxpk= 0, iat= 927, 973, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 60 ARG HA 63 ARG QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 983, 984,
&end
#
# 60 ARG HA 63 ARG QG 3.58
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 980, 981,
&end
#
# 60 ARG HB2 60 ARG QD 3.22
&rst
ixpk= 0, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 935, 936,
&end
#
# 60 ARG HB3 60 ARG QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 935, 936,
&end
#
# 60 ARG HB3 61 ASN H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 60 ARG QD 61 ASN H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 935, 936,
&end
#
# 60 ARG QD 61 ASN HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 935, 936,
&end
#
# 60 ARG QD 61 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 935, 936,
&end
#
# 60 ARG QD 62 ALA H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 935, 936,
&end
#
# 60 ARG QD 63 ARG H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 935, 936,
&end
#
# 60 ARG QD 64 ALA H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 935, 936,
&end
#
# 60 ARG QD 64 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 935, 936,
igr2=1001,1002,1003,
&end
#
# 60 ARG QG 61 ASN H 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 932, 933,
&end
#
# 60 ARG QG 61 ASN HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 932, 933,
&end
#
# 60 ARG QG 61 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 932, 933,
&end
#
# 60 ARG QG 61 ASN HD22 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 932, 933,
&end
#
# 61 ASN H 61 ASN HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 949, 953, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 61 ASN H 61 ASN HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 949, 954, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 61 ASN H 61 ASN HD21 4.49
&rst
ixpk= 0, nxpk= 0, iat= 949, 959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 61 ASN H 61 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 949, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN H 62 ALA H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 61 ASN H 62 ALA QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 967, 968, 969,
&end
#
# 61 ASN H 63 ARG H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 949, 973, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 61 ASN HA 61 ASN HD21 3.27
&rst
ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 61 ASN HA 61 ASN HD22 3.33
&rst
ixpk= 0, nxpk= 0, iat= 951, 958, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 61 ASN HA 62 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN HA 63 ARG H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 951, 973, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 61 ASN HA 64 ALA H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 951, 997, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 61 ASN HA 64 ALA QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1001,1002,1003,
&end
#
# 61 ASN HA 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1011,1012,1013,
&end
#
# 61 ASN HB2 61 ASN HD21 3.82
&rst
ixpk= 0, nxpk= 0, iat= 953, 959, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 61 ASN HB2 62 ALA H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 953, 963, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 61 ASN HB2 63 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 953, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN HB3 61 ASN HD21 3.68
&rst
ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 61 ASN HB3 61 ASN HD22 3.92
&rst
ixpk= 0, nxpk= 0, iat= 954, 958, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 61 ASN HB3 62 ALA H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 954, 963, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 61 ASN HB3 62 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 967, 968, 969,
&end
#
# 61 ASN HB3 64 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 954, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN HB3 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1001,1002,1003,
&end
#
# 61 ASN HD21 62 ALA H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 959, 963, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 61 ASN HD21 64 ALA H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 959, 997, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 61 ASN HD21 64 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1001,1002,1003,
&end
#
# 61 ASN HD22 64 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1001,1002,1003,
&end
#
# 62 ALA H 62 ALA QB 2.60
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 967, 968, 969,
&end
#
# 62 ALA H 63 ARG H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 963, 973, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 62 ALA H 63 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 963, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ALA H 63 ARG QG 4.98
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 980, 981,
&end
#
# 62 ALA H 64 ALA H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 963, 997, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 62 ALA H 65 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 963,1007, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 62 ALA H 83 LEU QQD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 62 ALA HA 64 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 965, 997, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 62 ALA HA 65 ALA H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 965,1007, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 62 ALA HA 65 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1011,1012,1013,
&end
#
# 62 ALA HA 66 VAL H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 965,1017, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 62 ALA QB 63 ARG H 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 967, 968, 969,
&end
#
# 62 ALA QB 63 ARG HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 967, 968, 969,
&end
#
# 62 ALA QB 66 VAL HB 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 967, 968, 969,
&end
#
# 62 ALA QB 83 LEU H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 967, 968, 969,
&end
#
# 62 ALA QB 83 LEU HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 967, 968, 969,
&end
#
# 62 ALA QB 83 LEU HG 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 967, 968, 969,
&end
#
# 62 ALA QB 83 LEU QQD 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 967, 968, 969,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 62 ALA QB 84 ALA H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 967, 968, 969,
&end
#
# 63 ARG H 63 ARG HB2 2.95
&rst
ixpk= 0, nxpk= 0, iat= 973, 977, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 63 ARG H 63 ARG QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 983, 984,
&end
#
# 63 ARG H 63 ARG QG 2.99
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 980, 981,
&end
#
# 63 ARG H 64 ALA H 2.95
&rst
ixpk= 0, nxpk= 0, iat= 973, 997, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 63 ARG H 64 ALA HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 973, 999, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 63 ARG H 64 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1001,1002,1003,
&end
#
# 63 ARG H 65 ALA H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 973,1007, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 63 ARG H 66 VAL H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 973,1017, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 63 ARG H 66 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ARG H 66 VAL QQG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 63 ARG H 83 LEU QQD 4.29
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 63 ARG HA 63 ARG HE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 975, 986, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 63 ARG HA 63 ARG QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 983, 984,
&end
#
# 63 ARG HA 63 ARG QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 980, 981,
&end
#
# 63 ARG HA 65 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 975,1007, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 63 ARG HA 66 VAL H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 975,1017, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 63 ARG HA 66 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 975,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ARG HA 66 VAL HB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 975,1021, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 63 ARG HA 66 VAL QQG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 63 ARG HA 67 ALA H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 975,1033, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 63 ARG HA 67 ALA QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1037,1038,1039,
&end
#
# 63 ARG HA 83 LEU QQD 3.62
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 63 ARG HB2 64 ALA H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 977, 997, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 63 ARG HB2 65 ALA H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 977,1007, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 63 ARG HB3 63 ARG QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 983, 984,
&end
#
# 63 ARG HB3 67 ALA H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 978,1033, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 63 ARG HE 83 LEU QQD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 63 ARG QD 64 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 983, 984,
&end
#
# 63 ARG QD 66 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 983, 984,
&end
#
# 63 ARG QD 66 VAL QQG 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 983, 984,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 63 ARG QD 83 LEU QQD 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 983, 984,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 63 ARG QG 64 ALA H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 980, 981,
&end
#
# 63 ARG QG 83 LEU QQD 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 980, 981,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 64 ALA H 64 ALA QB 2.40
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1001,1002,1003,
&end
#
# 64 ALA H 65 ALA H 2.82
&rst
ixpk= 0, nxpk= 0, iat= 997,1007, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 64 ALA H 65 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 997,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ALA H 66 VAL H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 997,1017, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 64 ALA HA 68 GLY QA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1045,1046,
&end
#
# 64 ALA QB 65 ALA H 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=1001,1002,1003,
&end
#
# 64 ALA QB 65 ALA HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1001,1002,1003,
&end
#
# 64 ALA QB 65 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1001,1002,1003,
igr2=1011,1012,1013,
&end
#
# 65 ALA H 65 ALA QB 2.41
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,
igr2=1011,1012,1013,
&end
#
# 65 ALA H 66 VAL H 2.79
&rst
ixpk= 0, nxpk= 0, iat=1007,1017, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 65 ALA H 68 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1045,1046,
&end
#
# 65 ALA HA 68 GLY H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1009,1043, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 65 ALA HA 68 GLY QA 3.58
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1045,1046,
&end
#
# 65 ALA HA 69 GLU HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1009,1054, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 65 ALA QB 66 VAL H 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1=1011,1012,1013,
&end
#
# 65 ALA QB 66 VAL HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1011,1012,1013,
&end
#
# 65 ALA QB 68 GLY H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1011,1012,1013,
&end
#
# 66 VAL H 66 VAL HA 2.91
&rst
ixpk= 0, nxpk= 0, iat=1017,1019, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 66 VAL H 66 VAL HB 2.64
&rst
ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 66 VAL H 66 VAL QQG 2.59
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL H 67 ALA H 2.93
&rst
ixpk= 0, nxpk= 0, iat=1017,1033, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 66 VAL H 68 GLY H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1017,1043, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 66 VAL H 81 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1231,1232,1233,
&end
#
# 66 VAL HA 66 VAL QQG 2.78
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL HA 67 ALA HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=1019,1035, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 66 VAL HA 68 GLY H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1019,1043, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 66 VAL HA 69 GLU H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1019,1050, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 66 VAL HA 70 ASP H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1019,1065, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 66 VAL HA 70 ASP HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1019,1067, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 66 VAL HA 70 ASP HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1019,1069, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 66 VAL HA 70 ASP HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1019,1070, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 66 VAL HA 81 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1019,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 VAL HA 81 ILE HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=1019,1227, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 66 VAL HA 81 ILE HB 4.02
&rst
ixpk= 0, nxpk= 0, iat=1019,1229, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 66 VAL HA 81 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1238,1239,1240,
&end
#
# 66 VAL HA 81 ILE QG2 3.14
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1231,1232,1233,
&end
#
# 66 VAL HA 82 ASN HA 5.30
&rst
ixpk= 0, nxpk= 0, iat=1019,1246, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 66 VAL HB 67 ALA H 2.76
&rst
ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 66 VAL HB 67 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1021,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 VAL HB 81 ILE QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1231,1232,1233,
&end
#
# 66 VAL HB 82 ASN HA 4.94
&rst
ixpk= 0, nxpk= 0, iat=1021,1246, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 66 VAL QQG 67 ALA H 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL QQG 67 ALA HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL QQG 70 ASP HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL QQG 70 ASP HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL QQG 82 ASN H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL QQG 82 ASN HA 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL QQG 82 ASN QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1248,1249,
&end
#
# 66 VAL QQG 82 ASN QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1253,1254,
&end
#
# 66 VAL QQG 83 LEU H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL QQG 83 LEU HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 66 VAL QQG 83 LEU QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1262,1263,
&end
#
# 66 VAL QQG 83 LEU QQD 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 67 ALA H 67 ALA QB 2.40
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1037,1038,1039,
&end
#
# 67 ALA H 68 GLY H 2.79
&rst
ixpk= 0, nxpk= 0, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 67 ALA H 68 GLY QA 4.38
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1045,1046,
&end
#
# 67 ALA HA 68 GLY H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1035,1043, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 67 ALA HA 68 GLY QA 4.35
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1045,1046,
&end
#
# 67 ALA HA 69 GLU H 4.06
&rst
ixpk= 0, nxpk= 0, iat=1035,1050, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 67 ALA HA 70 ASP H 4.36
&rst
ixpk= 0, nxpk= 0, iat=1035,1065, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 67 ALA HA 70 ASP HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1035,1069, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 67 ALA HA 70 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1035,1070, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 ALA QB 68 GLY QA 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1037,1038,1039,
igr2=1045,1046,
&end
#
# 68 GLY H 68 GLY QA 2.53
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
igr2=1045,1046,
&end
#
# 68 GLY H 69 GLU H 2.90
&rst
ixpk= 0, nxpk= 0, iat=1043,1050, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 68 GLY H 69 GLU HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=1043,1052, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 68 GLY H 69 GLU HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat=1043,1054, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 68 GLY H 70 ASP HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1043,1070, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 68 GLY H 81 ILE QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1231,1232,1233,
&end
#
# 68 GLY QA 69 GLU H 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1=1045,1046,
&end
#
# 68 GLY QA 69 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1045,1046,
&end
#
# 68 GLY QA 69 GLU HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1045,1046,
&end
#
# 68 GLY QA 69 GLU QG 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1045,1046,
igr2=1057,1058,
&end
#
# 68 GLY QA 70 ASP H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1045,1046,
&end
#
# 69 GLU H 69 GLU HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat=1050,1054, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 69 GLU H 70 ASP H 3.02
&rst
ixpk= 0, nxpk= 0, iat=1050,1065, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 69 GLU H 70 ASP HA 4.69
&rst
ixpk= 0, nxpk= 0, iat=1050,1067, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 69 GLU H 70 ASP HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1050,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 GLU H 70 ASP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1050,1070, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 GLU H 81 ILE HB 4.65
&rst
ixpk= 0, nxpk= 0, iat=1050,1229, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 69 GLU H 81 ILE QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1238,1239,1240,
&end
#
# 69 GLU H 81 ILE QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1231,1232,1233,
&end
#
# 69 GLU HA 69 GLU QG 3.80
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1057,1058,
&end
#
# 69 GLU HA 70 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 GLU HA 72 ARG H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1052,1084, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 69 GLU HA 72 ARG HA 4.64
&rst
ixpk= 0, nxpk= 0, iat=1052,1086, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 GLU HA 72 ARG HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1052,1088, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 69 GLU HA 72 ARG HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat=1052,1089, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 69 GLU HA 72 ARG HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat=1052,1094, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 69 GLU HA 72 ARG HD3 5.40
&rst
ixpk= 0, nxpk= 0, iat=1052,1095, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 69 GLU HA 72 ARG HE 4.40
&rst
ixpk= 0, nxpk= 0, iat=1052,1097, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 69 GLU HA 72 ARG HG2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1052,1091, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 69 GLU HA 79 LEU QQD 5.11
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 69 GLU HA 81 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1238,1239,1240,
&end
#
# 69 GLU HB2 70 ASP H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1054,1065, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 69 GLU HB2 81 ILE QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1238,1239,1240,
&end
#
# 69 GLU HB3 70 ASP H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1055,1065, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 69 GLU QG 70 ASP H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1057,1058,
&end
#
# 69 GLU QG 81 ILE QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1057,1058,
igr2=1238,1239,1240,
&end
#
# 70 ASP H 70 ASP HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat=1065,1069, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 70 ASP H 70 ASP HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat=1065,1070, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 70 ASP H 71 GLY H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 70 ASP H 72 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP H 81 ILE H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1065,1225, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 70 ASP H 81 ILE HB 3.64
&rst
ixpk= 0, nxpk= 0, iat=1065,1229, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 70 ASP H 81 ILE QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1238,1239,1240,
&end
#
# 70 ASP H 81 ILE QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1231,1232,1233,
&end
#
# 70 ASP HA 71 GLY H 2.56
&rst
ixpk= 0, nxpk= 0, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, &end
#
# 70 ASP HA 72 ARG H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 70 ASP HA 79 LEU HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1067,1198, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 70 ASP HA 79 LEU HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat=1067,1199, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 70 ASP HA 80 ASP HA 5.19
&rst
ixpk= 0, nxpk= 0, iat=1067,1215, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 70 ASP HA 81 ILE H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1067,1225, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 70 ASP HA 81 ILE HA 4.77
&rst
ixpk= 0, nxpk= 0, iat=1067,1227, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 70 ASP HA 81 ILE HB 3.22
&rst
ixpk= 0, nxpk= 0, iat=1067,1229, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 70 ASP HA 81 ILE HG13 4.58
&rst
ixpk= 0, nxpk= 0, iat=1067,1236, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 70 ASP HA 81 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1238,1239,1240,
&end
#
# 70 ASP HA 81 ILE QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1231,1232,1233,
&end
#
# 70 ASP HB2 81 ILE H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1069,1225, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 70 ASP HB2 81 ILE HA 5.08
&rst
ixpk= 0, nxpk= 0, iat=1069,1227, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 70 ASP HB2 81 ILE HB 4.06
&rst
ixpk= 0, nxpk= 0, iat=1069,1229, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 70 ASP HB2 81 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1238,1239,1240,
&end
#
# 70 ASP HB2 81 ILE QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1231,1232,1233,
&end
#
# 70 ASP HB3 71 GLY H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 70 ASP HB3 81 ILE H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1070,1225, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 70 ASP HB3 81 ILE HB 3.99
&rst
ixpk= 0, nxpk= 0, iat=1070,1229, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 70 ASP HB3 81 ILE QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1231,1232,1233,
&end
#
# 71 GLY H 71 GLY HA2 2.72
&rst
ixpk= 0, nxpk= 0, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 71 GLY H 72 ARG H 2.98
&rst
ixpk= 0, nxpk= 0, iat=1077,1084, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 71 GLY H 72 ARG HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat=1077,1089, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 71 GLY H 72 ARG HG3 3.85
&rst
ixpk= 0, nxpk= 0, iat=1077,1092, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 71 GLY H 78 VAL HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=1077,1180, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 71 GLY H 78 VAL QQG 3.49
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 71 GLY H 79 LEU H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1077,1194, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 71 GLY H 79 LEU HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1077,1198, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 71 GLY H 80 ASP H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1077,1213, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 71 GLY H 80 ASP HA 4.29
&rst
ixpk= 0, nxpk= 0, iat=1077,1215, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 71 GLY H 81 ILE H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1077,1225, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 71 GLY H 81 ILE QD1 3.30
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1238,1239,1240,
&end
#
# 71 GLY HA2 72 ARG H 3.26
&rst
ixpk= 0, nxpk= 0, iat=1079,1084, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 71 GLY HA2 73 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1119,1120,1121,
&end
#
# 71 GLY HA2 78 VAL QQG 3.10
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 71 GLY HA2 79 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1079,1194, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 71 GLY HA3 78 VAL QQG 3.29
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 71 GLY HA3 79 LEU H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1080,1194, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 71 GLY HA3 80 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1080,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG H 72 ARG HB3 2.85
&rst
ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 72 ARG H 72 ARG HD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1084,1094, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 72 ARG H 72 ARG HD3 4.58
&rst
ixpk= 0, nxpk= 0, iat=1084,1095, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 72 ARG H 72 ARG HE 5.32
&rst
ixpk= 0, nxpk= 0, iat=1084,1097, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 72 ARG H 72 ARG HG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1084,1091, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 72 ARG H 72 ARG HG3 3.25
&rst
ixpk= 0, nxpk= 0, iat=1084,1092, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 72 ARG H 73 MET H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1084,1108, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 72 ARG H 78 VAL HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1084,1180, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 72 ARG H 79 LEU H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1084,1194, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 72 ARG H 79 LEU HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1084,1198, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 72 ARG H 79 LEU QQD 4.23
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 72 ARG H 81 ILE QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1238,1239,1240,
&end
#
# 72 ARG HA 72 ARG HB2 2.75
&rst
ixpk= 0, nxpk= 0, iat=1086,1088, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 72 ARG HA 72 ARG HD2 5.30
&rst
ixpk= 0, nxpk= 0, iat=1086,1094, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 72 ARG HA 72 ARG HD3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1086,1095, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 72 ARG HA 72 ARG HE 5.02
&rst
ixpk= 0, nxpk= 0, iat=1086,1097, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 72 ARG HA 72 ARG HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 72 ARG HA 72 ARG HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1086,1092, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 72 ARG HA 73 MET H 2.84
&rst
ixpk= 0, nxpk= 0, iat=1086,1108, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 72 ARG HA 73 MET HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1086,1112, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 72 ARG HA 78 VAL QQG 4.69
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 72 ARG HB2 72 ARG HD2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1088,1094, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 72 ARG HB2 72 ARG HD3 3.71
&rst
ixpk= 0, nxpk= 0, iat=1088,1095, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 72 ARG HB2 72 ARG HE 4.13
&rst
ixpk= 0, nxpk= 0, iat=1088,1097, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 72 ARG HB2 79 LEU QQD 5.19
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 72 ARG HB3 72 ARG HD2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 72 ARG HB3 72 ARG HD3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1089,1095, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 72 ARG HB3 73 MET H 4.04
&rst
ixpk= 0, nxpk= 0, iat=1089,1108, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 72 ARG HD2 73 MET H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 72 ARG HD2 74 ILE HG12 4.85
&rst
ixpk= 0, nxpk= 0, iat=1094,1135, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 72 ARG HD2 74 ILE HG13 5.02
&rst
ixpk= 0, nxpk= 0, iat=1094,1136, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 72 ARG HD2 74 ILE QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1138,1139,1140,
&end
#
# 72 ARG HD2 79 LEU QQD 3.30
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 72 ARG HD2 81 ILE QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1238,1239,1240,
&end
#
# 72 ARG HD3 73 MET H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1095,1108, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 72 ARG HD3 73 MET HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat=1095,1113, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 72 ARG HD3 74 ILE HA 4.12
&rst
ixpk= 0, nxpk= 0, iat=1095,1127, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 72 ARG HD3 74 ILE HB 5.07
&rst
ixpk= 0, nxpk= 0, iat=1095,1129, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 72 ARG HD3 74 ILE QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1138,1139,1140,
&end
#
# 72 ARG HD3 78 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1095,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HD3 79 LEU QQD 4.06
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 72 ARG HE 73 MET H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 72 ARG HE 74 ILE HG13 4.78
&rst
ixpk= 0, nxpk= 0, iat=1097,1136, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 72 ARG HE 74 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1138,1139,1140,
&end
#
# 72 ARG HG2 72 ARG HE 3.34
&rst
ixpk= 0, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 72 ARG HG2 79 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1091,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ARG HG2 79 LEU QQD 3.49
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 72 ARG HG3 72 ARG HE 3.71
&rst
ixpk= 0, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 72 ARG HG3 73 MET H 3.61
&rst
ixpk= 0, nxpk= 0, iat=1092,1108, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 72 ARG HG3 74 ILE HG13 4.77
&rst
ixpk= 0, nxpk= 0, iat=1092,1136, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 72 ARG HG3 74 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1138,1139,1140,
&end
#
# 72 ARG HG3 79 LEU HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1092,1198, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 72 ARG HG3 79 LEU QQD 3.97
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 MET H 73 MET HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 73 MET H 73 MET HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 73 MET H 74 ILE H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1108,1125, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 73 MET H 74 ILE HG13 4.40
&rst
ixpk= 0, nxpk= 0, iat=1108,1136, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 73 MET H 78 VAL HA 4.68
&rst
ixpk= 0, nxpk= 0, iat=1108,1180, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 73 MET H 78 VAL QQG 4.84
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 MET H 79 LEU H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1108,1194, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 73 MET HA 73 MET HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 73 MET HA 73 MET HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 73 MET HA 73 MET QE 3.58
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1119,1120,1121,
&end
#
# 73 MET HA 74 ILE H 2.95
&rst
ixpk= 0, nxpk= 0, iat=1110,1125, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 73 MET HA 74 ILE HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1110,1127, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 73 MET HA 74 ILE QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1131,1132,1133,
&end
#
# 73 MET HA 76 GLY H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1110,1154, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 73 MET HA 77 GLN H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1110,1161, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 73 MET HA 78 VAL H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1110,1178, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 73 MET HA 78 VAL HA 3.01
&rst
ixpk= 0, nxpk= 0, iat=1110,1180, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 73 MET HA 78 VAL QQG 3.32
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 MET HA 79 LEU H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1110,1194, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 73 MET HA 79 LEU QQD 5.35
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 MET HB2 74 ILE H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1112,1125, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 73 MET HB2 78 VAL HA 4.68
&rst
ixpk= 0, nxpk= 0, iat=1112,1180, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 73 MET HB2 78 VAL QQG 4.72
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 MET HB3 74 ILE HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=1113,1127, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 73 MET HG2 76 GLY H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1115,1154, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 73 MET HG2 76 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 MET HG2 78 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 MET HG2 78 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 MET HG3 73 MET QE 2.82
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1119,1120,1121,
&end
#
# 73 MET HG3 74 ILE H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1116,1125, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 73 MET HG3 74 ILE HA 5.36
&rst
ixpk= 0, nxpk= 0, iat=1116,1127, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 73 MET HG3 76 GLY H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1116,1154, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 73 MET HG3 76 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1116,1156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 MET HG3 76 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1116,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 MET HG3 77 GLN H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1116,1161, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 73 MET HG3 78 VAL HA 4.40
&rst
ixpk= 0, nxpk= 0, iat=1116,1180, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 73 MET HG3 78 VAL QQG 3.92
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 MET QE 76 GLY HA2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1119,1120,1121,
&end
#
# 73 MET QE 76 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1119,1120,1121,
&end
#
# 73 MET QE 77 GLN HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1119,1120,1121,
&end
#
# 73 MET QE 78 VAL H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1119,1120,1121,
&end
#
# 73 MET QE 78 VAL HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1119,1120,1121,
&end
#
# 73 MET QE 78 VAL QQG 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1119,1120,1121,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 74 ILE H 74 ILE HB 3.24
&rst
ixpk= 0, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 74 ILE H 74 ILE HG12 4.83
&rst
ixpk= 0, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 74 ILE H 74 ILE HG13 4.25
&rst
ixpk= 0, nxpk= 0, iat=1125,1136, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 74 ILE H 74 ILE QG2 3.26
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1131,1132,1133,
&end
#
# 74 ILE H 75 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1125,1144, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 74 ILE H 76 GLY H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1125,1154, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 74 ILE H 77 GLN H 3.47
&rst
ixpk= 0, nxpk= 0, iat=1125,1161, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 74 ILE H 77 GLN HA 4.79
&rst
ixpk= 0, nxpk= 0, iat=1125,1163, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 74 ILE H 77 GLN HE22 5.08
&rst
ixpk= 0, nxpk= 0, iat=1125,1173, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 74 ILE H 77 GLN QB 4.78
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1165,1166,
&end
#
# 74 ILE H 78 VAL HA 3.36
&rst
ixpk= 0, nxpk= 0, iat=1125,1180, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 74 ILE H 78 VAL QQG 4.56
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 74 ILE H 79 LEU H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1125,1194, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 74 ILE H 79 LEU QQD 4.13
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 74 ILE HA 74 ILE HG12 3.53
&rst
ixpk= 0, nxpk= 0, iat=1127,1135, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 74 ILE HA 74 ILE HG13 3.21
&rst
ixpk= 0, nxpk= 0, iat=1127,1136, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 74 ILE HA 74 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1138,1139,1140,
&end
#
# 74 ILE HA 74 ILE QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1131,1132,1133,
&end
#
# 74 ILE HA 75 ALA H 2.65
&rst
ixpk= 0, nxpk= 0, iat=1127,1144, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 74 ILE HA 75 ALA HA 4.42
&rst
ixpk= 0, nxpk= 0, iat=1127,1146, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 74 ILE HA 75 ALA QB 4.29
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1148,1149,1150,
&end
#
# 74 ILE HA 76 GLY H 3.57
&rst
ixpk= 0, nxpk= 0, iat=1127,1154, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 74 ILE HA 77 GLN H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1127,1161, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 74 ILE HA 79 LEU QQD 4.54
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 74 ILE HB 74 ILE QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1138,1139,1140,
&end
#
# 74 ILE HB 75 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1129,1144, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 74 ILE HB 77 GLN H 5.24
&rst
ixpk= 0, nxpk= 0, iat=1129,1161, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 74 ILE HB 79 LEU HG 4.13
&rst
ixpk= 0, nxpk= 0, iat=1129,1201, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 74 ILE HB 79 LEU QQD 3.54
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 74 ILE HG12 75 ALA H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1135,1144, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 74 ILE HG12 79 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1135,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE HG13 75 ALA H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1136,1144, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 74 ILE HG13 79 LEU HG 4.43
&rst
ixpk= 0, nxpk= 0, iat=1136,1201, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 74 ILE HG13 79 LEU QQD 3.47
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 74 ILE QD1 79 LEU HG 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1138,1139,1140,
&end
#
# 74 ILE QD1 79 LEU QQD 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1138,1139,1140,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 74 ILE QG2 74 ILE HG12 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 74 ILE HG13 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 75 ALA H 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 75 ALA HA 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 76 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 77 GLN H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 77 GLN HE22 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 77 GLN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1131,1132,1133,
igr2=1165,1166,
&end
#
# 74 ILE QG2 79 LEU HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 79 LEU HG 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1131,1132,1133,
&end
#
# 74 ILE QG2 79 LEU QQD 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1=1131,1132,1133,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 75 ALA H 75 ALA HA 2.71
&rst
ixpk= 0, nxpk= 0, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 75 ALA H 75 ALA QB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1148,1149,1150,
&end
#
# 75 ALA H 76 GLY H 3.22
&rst
ixpk= 0, nxpk= 0, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 75 ALA H 76 GLY HA2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1144,1156, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 75 ALA H 77 GLN H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1144,1161, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 75 ALA H 79 LEU QQD 5.39
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 75 ALA HA 76 GLY H 3.21
&rst
ixpk= 0, nxpk= 0, iat=1146,1154, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 75 ALA HA 76 GLY HA2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1146,1156, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 75 ALA HA 76 GLY HA3 4.54
&rst
ixpk= 0, nxpk= 0, iat=1146,1157, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 75 ALA HA 77 GLN H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1146,1161, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 75 ALA QB 76 GLY H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1148,1149,1150,
&end
#
# 75 ALA QB 76 GLY HA2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1148,1149,1150,
&end
#
# 75 ALA QB 76 GLY HA3 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1148,1149,1150,
&end
#
# 75 ALA QB 77 GLN H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1148,1149,1150,
&end
#
# 75 ALA QB 77 GLN HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1148,1149,1150,
&end
#
# 75 ALA QB 79 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1148,1149,1150,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 76 GLY H 76 GLY HA2 2.58
&rst
ixpk= 0, nxpk= 0, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 76 GLY H 77 GLN H 3.02
&rst
ixpk= 0, nxpk= 0, iat=1154,1161, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 76 GLY H 77 GLN HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=1154,1163, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 76 GLY H 77 GLN QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1165,1166,
&end
#
# 76 GLY HA2 77 GLN H 3.49
&rst
ixpk= 0, nxpk= 0, iat=1156,1161, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 76 GLY HA2 77 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1156,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLY HA3 77 GLN H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1157,1161, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 77 GLN H 77 GLN HE21 4.41
&rst
ixpk= 0, nxpk= 0, iat=1161,1174, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 77 GLN H 77 GLN HE22 5.04
&rst
ixpk= 0, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 77 GLN H 77 GLN QB 3.06
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1165,1166,
&end
#
# 77 GLN H 78 VAL H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 77 GLN H 79 LEU QQD 4.51
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 77 GLN HA 77 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1163,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 GLN HA 77 GLN HG2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1163,1168, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 77 GLN HA 78 VAL H 2.65
&rst
ixpk= 0, nxpk= 0, iat=1163,1178, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 77 GLN HA 78 VAL HA 5.06
&rst
ixpk= 0, nxpk= 0, iat=1163,1180, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 77 GLN HA 78 VAL QQG 4.77
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 77 GLN HE21 78 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1174,1178, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 77 GLN HE22 79 LEU HA 3.81
&rst
ixpk= 0, nxpk= 0, iat=1173,1196, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 77 GLN HE22 79 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1173,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 GLN HE22 79 LEU QQD 4.24
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 77 GLN HE22 80 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1173,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 GLN HG2 78 VAL H 3.61
&rst
ixpk= 0, nxpk= 0, iat=1168,1178, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 77 GLN HG2 78 VAL QQG 4.86
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 77 GLN HG2 79 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 77 GLN HG3 78 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1169,1178, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 77 GLN QB 77 GLN HE21 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1165,1166,
&end
#
# 77 GLN QB 77 GLN HE22 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1165,1166,
&end
#
# 77 GLN QB 78 VAL H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1165,1166,
&end
#
# 78 VAL H 78 VAL HB 2.76
&rst
ixpk= 0, nxpk= 0, iat=1178,1182, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 78 VAL H 78 VAL QQG 3.09
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 78 VAL H 79 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1178,1194, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 78 VAL H 79 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1178,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL HA 78 VAL QQG 3.01
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 78 VAL HA 79 LEU H 2.82
&rst
ixpk= 0, nxpk= 0, iat=1180,1194, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 78 VAL HA 79 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1180,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL HA 79 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 78 VAL HB 79 LEU H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1182,1194, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 78 VAL QQG 79 LEU H 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 78 VAL QQG 79 LEU HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 78 VAL QQG 79 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 78 VAL QQG 80 ASP H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 78 VAL QQG 80 ASP HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 79 LEU H 79 LEU HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1194,1198, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 79 LEU H 79 LEU HG 2.86
&rst
ixpk= 0, nxpk= 0, iat=1194,1201, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 79 LEU H 79 LEU QQD 3.48
&rst
ixpk= 0, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 79 LEU H 80 ASP H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1194,1213, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 79 LEU HA 79 LEU QQD 3.21
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 79 LEU HA 80 ASP H 2.80
&rst
ixpk= 0, nxpk= 0, iat=1196,1213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 LEU HA 80 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1196,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU HA 80 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1217,1218,
&end
#
# 79 LEU HA 81 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1238,1239,1240,
&end
#
# 79 LEU HB2 79 LEU QQD 3.42
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 79 LEU HB2 80 ASP H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1198,1213, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 79 LEU HB2 81 ILE HA 5.70
&rst
ixpk= 0, nxpk= 0, iat=1198,1227, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 79 LEU HB2 81 ILE QD1 3.79
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1238,1239,1240,
&end
#
# 79 LEU HB3 79 LEU QQD 3.29
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 79 LEU HB3 80 ASP H 3.59
&rst
ixpk= 0, nxpk= 0, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 79 LEU HB3 80 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1199,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU HB3 81 ILE HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=1199,1227, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 79 LEU HB3 81 ILE HG12 5.15
&rst
ixpk= 0, nxpk= 0, iat=1199,1235, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 79 LEU HB3 81 ILE HG13 5.06
&rst
ixpk= 0, nxpk= 0, iat=1199,1236, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 79 LEU HB3 81 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1238,1239,1240,
&end
#
# 79 LEU QQD 80 ASP H 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 80 ASP H 80 ASP QB 3.29
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1217,1218,
&end
#
# 80 ASP H 81 ILE H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1213,1225, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 80 ASP H 81 ILE HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=1213,1227, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 80 ASP H 81 ILE QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1238,1239,1240,
&end
#
# 80 ASP HA 81 ILE H 2.83
&rst
ixpk= 0, nxpk= 0, iat=1215,1225, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 80 ASP HA 81 ILE HA 5.25
&rst
ixpk= 0, nxpk= 0, iat=1215,1227, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 80 ASP HA 81 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1215,1229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASP HA 81 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 80 ASP QB 81 ILE H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1217,1218,
&end
#
# 80 ASP QB 81 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1217,1218,
&end
#
# 81 ILE H 81 ILE HB 3.12
&rst
ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 81 ILE H 81 ILE HG13 4.09
&rst
ixpk= 0, nxpk= 0, iat=1225,1236, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 81 ILE H 81 ILE QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1238,1239,1240,
&end
#
# 81 ILE H 81 ILE QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1231,1232,1233,
&end
#
# 81 ILE H 82 ASN H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1225,1244, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 81 ILE HA 81 ILE HG12 4.05
&rst
ixpk= 0, nxpk= 0, iat=1227,1235, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 81 ILE HA 81 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1238,1239,1240,
&end
#
# 81 ILE HA 81 ILE QG2 3.17
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1231,1232,1233,
&end
#
# 81 ILE HA 82 ASN H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 81 ILE HA 82 ASN HA 4.74
&rst
ixpk= 0, nxpk= 0, iat=1227,1246, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 81 ILE HB 81 ILE QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1238,1239,1240,
&end
#
# 81 ILE HB 82 ASN H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 81 ILE HB 82 ASN HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=1229,1246, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 81 ILE QG2 81 ILE HG12 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1231,1232,1233,
&end
#
# 81 ILE QG2 82 ASN H 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1231,1232,1233,
&end
#
# 81 ILE QG2 82 ASN QB 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1231,1232,1233,
igr2=1248,1249,
&end
#
# 82 ASN H 83 LEU H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1244,1258, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 82 ASN HA 82 ASN QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1253,1254,
&end
#
# 82 ASN HA 83 LEU QB 5.44
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1262,1263,
&end
#
# 82 ASN HA 88 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1246,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ASN QB 82 ASN QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1248,1249,
igr2=1253,1254,
&end
#
# 82 ASN QB 83 LEU H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1248,1249,
&end
#
# 82 ASN QB 88 LYS HG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1248,1249,
&end
#
# 82 ASN QB 88 LYS HG3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1248,1249,
&end
#
# 82 ASN QD2 83 LEU H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1253,1254,
&end
#
# 82 ASN QD2 83 LEU HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1253,1254,
&end
#
# 82 ASN QD2 83 LEU QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1253,1254,
igr2=1262,1263,
&end
#
# 82 ASN QD2 84 ALA HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1253,1254,
&end
#
# 82 ASN QD2 86 GLU H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1253,1254,
&end
#
# 82 ASN QD2 87 PRO HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1253,1254,
&end
#
# 82 ASN QD2 87 PRO QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1253,1254,
igr2=1319,1320,
&end
#
# 82 ASN QD2 88 LYS H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1253,1254,
&end
#
# 83 LEU H 83 LEU HG 4.23
&rst
ixpk= 0, nxpk= 0, iat=1258,1265, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 83 LEU H 83 LEU QB 3.69
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1262,1263,
&end
#
# 83 LEU H 83 LEU QQD 3.64
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 83 LEU H 84 ALA H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1258,1277, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 83 LEU H 86 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1258,1297, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 83 LEU H 86 GLU QB 4.38
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1301,1302,
&end
#
# 83 LEU HA 83 LEU HG 3.72
&rst
ixpk= 0, nxpk= 0, iat=1260,1265, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 83 LEU HA 83 LEU QQD 3.19
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 83 LEU HA 84 ALA H 2.84
&rst
ixpk= 0, nxpk= 0, iat=1260,1277, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 83 LEU HA 84 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 83 LEU HA 84 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1281,1282,1283,
&end
#
# 83 LEU HG 84 ALA H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1265,1277, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 83 LEU QB 83 LEU QQD 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1262,1263,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 83 LEU QB 84 ALA H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1262,1263,
&end
#
# 83 LEU QB 86 GLU H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1262,1263,
&end
#
# 83 LEU QB 86 GLU QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1262,1263,
igr2=1304,1305,
&end
#
# 83 LEU QQD 84 ALA H 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 83 LEU QQD 84 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 83 LEU QQD 84 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1=1267,1268,1269,1271,1272,1273,
igr2=1281,1282,1283,
&end
#
# 83 LEU QQD 85 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1267,1268,1269,1271,1272,1273,
igr2=1291,1292,1293,
&end
#
# 83 LEU QQD 86 GLU H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 83 LEU QQD 86 GLU QG 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=1267,1268,1269,1271,1272,1273,
igr2=1304,1305,
&end
#
# 84 ALA H 84 ALA QB 2.96
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1281,1282,1283,
&end
#
# 84 ALA H 85 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1277,1287, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 84 ALA H 85 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1291,1292,1293,
&end
#
# 84 ALA H 86 GLU H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1277,1297, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 84 ALA HA 85 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1279,1289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ALA HA 85 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1291,1292,1293,
&end
#
# 84 ALA HA 86 GLU H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1279,1297, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 84 ALA QB 85 ALA H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1281,1282,1283,
&end
#
# 84 ALA QB 85 ALA HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1281,1282,1283,
&end
#
# 84 ALA QB 85 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1281,1282,1283,
igr2=1291,1292,1293,
&end
#
# 84 ALA QB 86 GLU H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1281,1282,1283,
&end
#
# 85 ALA H 85 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1291,1292,1293,
&end
#
# 85 ALA H 86 GLU H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1287,1297, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 85 ALA HA 86 GLU HA 4.60
&rst
ixpk= 0, nxpk= 0, iat=1289,1299, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 85 ALA HA 87 PRO QD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1313,1314,
&end
#
# 85 ALA HA 87 PRO QG 4.91
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1316,1317,
&end
#
# 85 ALA QB 86 GLU H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1291,1292,1293,
&end
#
# 85 ALA QB 86 GLU HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1291,1292,1293,
&end
#
# 85 ALA QB 86 GLU QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1291,1292,1293,
igr2=1304,1305,
&end
#
# 85 ALA QB 87 PRO QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1291,1292,1293,
igr2=1313,1314,
&end
#
# 86 GLU H 86 GLU QB 3.10
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1301,1302,
&end
#
# 86 GLU H 86 GLU QG 3.18
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1304,1305,
&end
#
# 86 GLU H 87 PRO HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1297,1322, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 86 GLU H 87 PRO QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1319,1320,
&end
#
# 86 GLU H 87 PRO QD 3.61
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1313,1314,
&end
#
# 86 GLU HA 86 GLU QG 3.46
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1304,1305,
&end
#
# 86 GLU HA 87 PRO HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=1299,1322, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 86 GLU HA 87 PRO QD 3.38
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1313,1314,
&end
#
# 86 GLU HA 87 PRO QG 4.68
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1316,1317,
&end
#
# 86 GLU QB 87 PRO QD 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1301,1302,
igr2=1313,1314,
&end
#
# 86 GLU QG 87 PRO QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1304,1305,
igr2=1313,1314,
&end
#
# 87 PRO HA 88 LYS H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1322,1326, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 87 PRO HA 89 VAL H 5.20
&rst
ixpk= 0, nxpk= 0, iat=1322,1348, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 87 PRO QB 88 LYS H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1319,1320,
&end
#
# 87 PRO QB 88 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1319,1320,
&end
#
# 87 PRO QB 89 VAL H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1319,1320,
&end
#
# 88 LYS H 88 LYS HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat=1326,1331, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 88 LYS H 88 LYS HG2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1326,1333, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 88 LYS H 88 LYS HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1326,1334, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 88 LYS H 88 LYS QD 4.88
&rst
ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1336,1337,
&end
#
# 88 LYS H 89 VAL H 3.25
&rst
ixpk= 0, nxpk= 0, iat=1326,1348, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 88 LYS HA 88 LYS HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 88 LYS HA 88 LYS HG3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1328,1334, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 88 LYS HA 88 LYS QE 4.78
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1339,1340,
&end
#
# 88 LYS HA 89 VAL HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1328,1350, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 88 LYS HB2 88 LYS QD 3.41
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1336,1337,
&end
#
# 88 LYS HB2 88 LYS QE 4.65
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1339,1340,
&end
#
# 88 LYS HB2 89 VAL H 3.35
&rst
ixpk= 0, nxpk= 0, iat=1330,1348, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 88 LYS HB2 89 VAL HA 4.54
&rst
ixpk= 0, nxpk= 0, iat=1330,1350, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 88 LYS HB2 89 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 88 LYS HB2 90 ASN H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1330,1364, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 88 LYS HB3 88 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1339,1340,
&end
#
# 88 LYS HG2 88 LYS QE 3.65
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1339,1340,
&end
#
# 88 LYS HG3 88 LYS QD 2.94
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1336,1337,
&end
#
# 88 LYS HG3 88 LYS QE 3.61
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1339,1340,
&end
#
# 88 LYS HG3 89 VAL H 3.74
&rst
ixpk= 0, nxpk= 0, iat=1334,1348, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 88 LYS HG3 89 VAL HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=1334,1350, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 88 LYS HG3 90 ASN HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=1334,1366, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 88 LYS HG3 90 ASN HD21 5.25
&rst
ixpk= 0, nxpk= 0, iat=1334,1374, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 88 LYS HG3 90 ASN QB 5.44
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1368,1369,
&end
#
# 88 LYS QD 89 VAL H 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1336,1337,
&end
#
# 88 LYS QD 90 ASN H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1336,1337,
&end
#
# 88 LYS QD 90 ASN HD21 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1336,1337,
&end
#
# 88 LYS QD 90 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1336,1337,
igr2=1368,1369,
&end
#
# 89 VAL H 89 VAL HB 3.62
&rst
ixpk= 0, nxpk= 0, iat=1348,1352, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 89 VAL H 89 VAL QQG 3.16
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 89 VAL H 90 ASN H 3.53
&rst
ixpk= 0, nxpk= 0, iat=1348,1364, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 89 VAL H 90 ASN HA 4.66
&rst
ixpk= 0, nxpk= 0, iat=1348,1366, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 VAL H 90 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1368,1369,
&end
#
# 89 VAL HA 89 VAL HB 2.99
&rst
ixpk= 0, nxpk= 0, iat=1350,1352, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 89 VAL HA 89 VAL QQG 2.78
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 89 VAL HA 90 ASN H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1350,1364, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 89 VAL HA 90 ASN HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1350,1366, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 89 VAL HB 90 ASN H 3.58
&rst
ixpk= 0, nxpk= 0, iat=1352,1364, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 89 VAL HB 90 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1352,1366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 VAL HB 90 ASN HD21 4.72
&rst
ixpk= 0, nxpk= 0, iat=1352,1374, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 89 VAL HB 90 ASN HD22 5.37
&rst
ixpk= 0, nxpk= 0, iat=1352,1373, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 89 VAL HB 90 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1368,1369,
&end
#
# 89 VAL QQG 90 ASN H 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 89 VAL QQG 90 ASN HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 89 VAL QQG 90 ASN HD21 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 89 VAL QQG 90 ASN HD22 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 89 VAL QQG 90 ASN QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1354,1355,1356,1358,1359,1360,
igr2=1368,1369,
&end
#
# 90 ASN H 90 ASN HD21 4.09
&rst
ixpk= 0, nxpk= 0, iat=1364,1374, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 90 ASN H 90 ASN HD22 4.46
&rst
ixpk= 0, nxpk= 0, iat=1364,1373, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 90 ASN H 90 ASN QB 3.42
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1368,1369,
&end
#
# 90 ASN H 91 ARG H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1364,1378, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 90 ASN H 91 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 90 ASN HA 90 ASN HD21 4.04
&rst
ixpk= 0, nxpk= 0, iat=1366,1374, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 90 ASN HA 90 ASN HD22 5.33
&rst
ixpk= 0, nxpk= 0, iat=1366,1373, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 90 ASN HA 90 ASN QB 2.89
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1368,1369,
&end
#
# 90 ASN HA 91 ARG HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1366,1380, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 90 ASN HA 92 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1366,1402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ASN QB 90 ASN HD21 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr1=1368,1369,
&end
#
# 90 ASN QB 90 ASN HD22 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1368,1369,
&end
#
# 90 ASN QB 91 ARG HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1368,1369,
&end
#
# 91 ARG H 91 ARG QB 3.58
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1382,1383,
&end
#
# 91 ARG H 91 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1388,1389,
&end
#
# 91 ARG H 91 ARG QG 4.35
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1385,1386,
&end
#
# 91 ARG H 92 GLY H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1378,1402, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 91 ARG HA 91 ARG QB 2.75
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2=1382,1383,
&end
#
# 91 ARG HA 91 ARG QD 4.65
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1388,1389,
&end
#
# 91 ARG HA 91 ARG QG 3.48
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1385,1386,
&end
#
# 91 ARG HA 92 GLY H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1380,1402, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 91 ARG HA 92 GLY QA 4.46
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1404,1405,
&end
#
# 91 ARG QB 91 ARG HE 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1382,1383,
&end
#
# 91 ARG QB 91 ARG QD 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1382,1383,
igr2=1388,1389,
&end
#
# 91 ARG QB 92 GLY H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1382,1383,
&end
#
# 91 ARG QD 92 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1389,
&end
#
# 91 ARG QD 92 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1388,1389,
igr2=1404,1405,
&end
#
# 91 ARG QG 91 ARG HE 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1385,1386,
&end
#
# 91 ARG QG 92 GLY H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1385,1386,
&end
#
# 91 ARG QG 92 GLY QA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1385,1386,
igr2=1404,1405,
&end
#
# 92 GLY H 92 GLY QA 2.78
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=1404,1405,
&end
#
# 92 GLY H 93 LYS H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1402,1409, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 92 GLY H 93 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1413,1414,
&end
#
# 92 GLY QA 93 LYS H 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1404,1405,
&end
#
# 92 GLY QA 93 LYS HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1404,1405,
&end
#
# 92 GLY QA 93 LYS QG 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1404,1405,
igr2=1416,1417,
&end
#
# 92 GLY QA 94 ALA H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1404,1405,
&end
#
# 93 LYS H 93 LYS QB 3.42
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1413,1414,
&end
#
# 93 LYS H 93 LYS QG 3.91
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1416,1417,
&end
#
# 93 LYS H 94 ALA H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1409,1431, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 93 LYS HA 93 LYS QB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1413,1414,
&end
#
# 93 LYS HA 93 LYS QD 3.69
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1419,1420,
&end
#
# 93 LYS HA 93 LYS QE 4.83
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1422,1423,
&end
#
# 93 LYS HA 93 LYS QG 3.22
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1416,1417,
&end
#
# 93 LYS QB 93 LYS QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1413,1414,
igr2=1422,1423,
&end
#
# 93 LYS QB 94 ALA H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1413,1414,
&end
#
# 93 LYS QB 94 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1413,1414,
&end
#
# 93 LYS QB 94 ALA QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1413,1414,
igr2=1435,1436,1437,
&end
#
# 93 LYS QD 93 LYS QE 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1419,1420,
igr2=1422,1423,
&end
#
# 93 LYS QG 93 LYS QD 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1416,1417,
igr2=1419,1420,
&end
#
# 93 LYS QG 93 LYS QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1416,1417,
igr2=1422,1423,
&end
#
# 94 ALA H 94 ALA QB 2.90
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1435,1436,1437,
&end
#
# 94 ALA HA 95 GLY H 2.73
&rst
ixpk= 0, nxpk= 0, iat=1433,1441, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 94 ALA HA 96 VAL H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1433,1448, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 94 ALA HA 96 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 94 ALA QB 95 GLY H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1435,1436,1437,
&end
#
# 94 ALA QB 95 GLY QA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1435,1436,1437,
igr2=1443,1444,
&end
#
# 94 ALA QB 96 VAL H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1435,1436,1437,
&end
#
# 95 GLY H 95 GLY QA 2.66
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1443,1444,
&end
#
# 95 GLY H 96 VAL H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 95 GLY H 96 VAL QQG 4.30
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 95 GLY H 97 LYS QE 5.15
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1477,1478,
&end
#
# 95 GLY QA 96 VAL H 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1443,1444,
&end
#
# 95 GLY QA 96 VAL HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1443,1444,
&end
#
# 95 GLY QA 96 VAL QQG 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1443,1444,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 95 GLY QA 97 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1443,1444,
&end
#
# 95 GLY QA 97 LYS QD 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1443,1444,
igr2=1474,1475,
&end
#
# 96 VAL H 96 VAL HB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 96 VAL H 96 VAL QQG 2.63
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 96 VAL H 97 LYS QE 5.07
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1477,1478,
&end
#
# 96 VAL HA 96 VAL QQG 2.67
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 96 VAL HA 97 LYS H 2.40
&rst
ixpk= 0, nxpk= 0, iat=1450,1464, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 96 VAL HA 97 LYS HA 4.59
&rst
ixpk= 0, nxpk= 0, iat=1450,1466, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 96 VAL HA 97 LYS QG 4.85
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1471,1472,
&end
#
# 96 VAL HA 98 ARG H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1450,1486, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 96 VAL QQG 99 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1454,1455,1456,1458,1459,1460,
&end
#
# 96 VAL QQG 97 LYS H 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1454,1455,1456,1458,1459,1460,
&end
#
# 96 VAL QQG 98 ARG H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1454,1455,1456,1458,1459,1460,
&end
#
# 96 VAL QQG 98 ARG HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1488, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1454,1455,1456,1458,1459,1460,
&end
#
# 96 VAL QQG 98 ARG QD 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1454,1455,1456,1458,1459,1460,
igr2=1496,1497,
&end
#
# 97 LYS H 97 LYS QB 2.94
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1468,1469,
&end
#
# 97 LYS H 97 LYS QD 3.86
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1474,1475,
&end
#
# 97 LYS H 97 LYS QG 3.40
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1471,1472,
&end
#
# 97 LYS HA 98 ARG H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1466,1486, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 LYS QB 97 LYS QG 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1468,1469,
igr2=1471,1472,
&end
#
# 97 LYS QG 97 LYS QD 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1471,1472,
igr2=1474,1475,
&end
#
# 97 LYS QG 98 ARG H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1471,1472,
&end
#
# 98 ARG H 99 SER HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=1486,1512, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 98 ARG H 100 ALA H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1486,1521, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 98 ARG H 100 ALA QB 5.42
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1525,1526,1527,
&end
#
# 98 ARG H 98 ARG QB 2.97
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1490,1491,
&end
#
# 98 ARG H 98 ARG QD 4.37
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1496,1497,
&end
#
# 98 ARG HA 99 SER H 2.86
&rst
ixpk= 0, nxpk= 0, iat=1488,1510, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 98 ARG HA 99 SER HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1488,1514, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 98 ARG HA 100 ALA H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1488,1521, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 98 ARG HA 98 ARG QB 2.96
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=1490,1491,
&end
#
# 98 ARG HA 98 ARG QD 3.56
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1496,1497,
&end
#
# 98 ARG HA 98 ARG QG 3.11
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1493,1494,
&end
#
# 98 ARG QB 99 SER H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1490,1491,
&end
#
# 98 ARG QB 100 ALA HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1490,1491,
&end
#
# 98 ARG QB 101 ALA H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1490,1491,
&end
#
# 98 ARG QB 102 GLU QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1490,1491,
igr2=1548,1549,
&end
#
# 98 ARG QB 98 ARG QD 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1490,1491,
igr2=1496,1497,
&end
#
# 98 ARG QB 98 ARG QG 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1490,1491,
igr2=1493,1494,
&end
#
# 98 ARG QD 99 SER H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1496,1497,
&end
#
# 98 ARG QD 102 GLU QG 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1496,1497,
igr2=1548,1549,
&end
#
# 98 ARG QG 99 SER H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1493,1494,
&end
#
# 98 ARG QG 99 SER HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1493,1494,
&end
#
# 98 ARG QG 99 SER HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1493,1494,
&end
#
# 98 ARG QG 102 GLU QG 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1493,1494,
igr2=1548,1549,
&end
#
# 98 ARG QG 98 ARG QD 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1493,1494,
igr2=1496,1497,
&end
#
# 99 SER H 99 SER HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat=1510,1514, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 99 SER H 99 SER HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat=1510,1515, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 99 SER H 100 ALA HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1510,1523, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 99 SER H 102 GLU QB 4.27
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1545,1546,
&end
#
# 99 SER H 102 GLU QG 4.75
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1548,1549,
&end
#
# 99 SER HA 99 SER HB2 2.93
&rst
ixpk= 0, nxpk= 0, iat=1512,1514, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 99 SER HA 99 SER HB3 2.93
&rst
ixpk= 0, nxpk= 0, iat=1512,1515, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 99 SER HA 100 ALA QB 4.19
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1525,1526,1527,
&end
#
# 99 SER HA 101 ALA H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1512,1531, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 99 SER HB2 100 ALA H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1514,1521, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 99 SER HB2 100 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1525,1526,1527,
&end
#
# 99 SER HB2 101 ALA H 3.95
&rst
ixpk= 0, nxpk= 0, iat=1514,1531, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 99 SER HB2 101 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1535,1536,1537,
&end
#
# 99 SER HB2 102 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1514,1541, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 99 SER HB2 102 GLU HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=1514,1543, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 99 SER HB2 102 GLU QB 3.83
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1545,1546,
&end
#
# 99 SER HB2 102 GLU QG 5.22
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1548,1549,
&end
#
# 99 SER HB3 100 ALA H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1515,1521, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 99 SER HB3 101 ALA H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1515,1531, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 99 SER HB3 101 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat=1515,1533, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 99 SER HB3 101 ALA QB 4.55
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1535,1536,1537,
&end
#
# 99 SER HB3 102 GLU H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1515,1541, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 99 SER HB3 102 GLU HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=1515,1543, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 99 SER HB3 102 GLU QB 5.05
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1545,1546,
&end
#
# 99 SER HB3 102 GLU QG 5.42
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1548,1549,
&end
#
# 100 ALA H 100 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1525,1526,1527,
&end
#
# 100 ALA H 101 ALA H 3.27
&rst
ixpk= 0, nxpk= 0, iat=1521,1531, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 100 ALA HA 101 ALA H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1523,1531, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 101 ALA H 101 ALA QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1535,1536,1537,
&end
#
# 101 ALA H 102 GLU H 3.03
&rst
ixpk= 0, nxpk= 0, iat=1531,1541, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 101 ALA H 102 GLU QB 4.84
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1545,1546,
&end
#
# 101 ALA H 102 GLU QG 5.03
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1548,1549,
&end
#
# 101 ALA HA 102 GLU H 3.28
&rst
ixpk= 0, nxpk= 0, iat=1533,1541, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 101 ALA HA 102 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1548,1549,
&end
#
# 101 ALA HA 104 TYR H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1533,1573, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 101 ALA HA 104 TYR QD 4.59
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1581,1590,
&end
#
# 101 ALA HA 104 TYR QE 4.33
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1583,1588,
&end
#
# 101 ALA HA 105 GLY H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1533,1594, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 101 ALA QB 102 GLU H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1535,1536,1537,
&end
#
# 101 ALA QB 102 GLU QG 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1535,1536,1537,
igr2=1548,1549,
&end
#
# 101 ALA QB 104 TYR QE 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1535,1536,1537,
igr2=1583,1588,
&end
#
# 102 GLU H 102 GLU QB 3.15
&rst
ixpk= 0, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1545,1546,
&end
#
# 102 GLU H 102 GLU QG 3.08
&rst
ixpk= 0, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1548,1549,
&end
#
# 102 GLU HA 102 GLU QB 2.80
&rst
ixpk= 0, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1545,1546,
&end
#
# 102 GLU HA 102 GLU QG 3.46
&rst
ixpk= 0, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1548,1549,
&end
#
# 102 GLU HA 103 MET QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1563,1564,
&end
#
# 102 GLU HA 104 TYR H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1543,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 GLU HA 105 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1543,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 GLU QB 102 GLU QG 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1=1545,1546,
igr2=1548,1549,
&end
#
# 102 GLU QB 103 MET H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1545,1546,
&end
#
# 102 GLU QB 103 MET QG 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1545,1546,
igr2=1563,1564,
&end
#
# 102 GLU QB 104 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1545,1546,
&end
#
# 102 GLU QG 103 MET H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1548,1549,
&end
#
# 102 GLU QG 103 MET HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1548,1549,
&end
#
# 102 GLU QG 103 MET QE 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1548,1549,
igr2=1567,1568,1569,
&end
#
# 102 GLU QG 103 MET QG 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1548,1549,
igr2=1563,1564,
&end
#
# 102 GLU QG 104 TYR H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1548,1549,
&end
#
# 102 GLU QG 104 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1548,1549,
igr2=1583,1588,
&end
#
# 103 MET H 103 MET QB 2.96
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=1560,1561,
&end
#
# 103 MET H 103 MET QE 4.10
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1567,1568,1569,
&end
#
# 103 MET H 103 MET QG 3.65
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1563,1564,
&end
#
# 103 MET H 104 TYR QD 5.22
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1581,1590,
&end
#
# 103 MET HA 103 MET QB 2.92
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1560,1561,
&end
#
# 103 MET HA 103 MET QG 3.92
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1563,1564,
&end
#
# 103 MET HA 104 TYR H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1558,1573, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 103 MET HA 104 TYR HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=1558,1575, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 103 MET HA 105 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1558,1594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 MET QB 104 TYR H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1560,1561,
&end
#
# 103 MET QB 104 TYR HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1560,1561,
&end
#
# 103 MET QB 104 TYR QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1560,1561,
igr2=1581,1590,
&end
#
# 103 MET QB 104 TYR QE 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1560,1561,
igr2=1583,1588,
&end
#
# 103 MET QB 105 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1560,1561,
&end
#
# 103 MET QE 104 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1567,1568,1569,
&end
#
# 103 MET QE 104 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=1567,1568,1569,
igr2=1583,1588,
&end
#
# 103 MET QG 103 MET QE 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1563,1564,
igr2=1567,1568,1569,
&end
#
# 103 MET QG 104 TYR H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1563,1564,
&end
#
# 103 MET QG 104 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1563,1564,
igr2=1581,1590,
&end
#
# 104 TYR H 104 TYR QB 2.88
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1577,1578,
&end
#
# 104 TYR H 104 TYR QD 3.56
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1581,1590,
&end
#
# 104 TYR H 105 GLY H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1573,1594, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 104 TYR HA 104 TYR QB 3.02
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1577,1578,
&end
#
# 104 TYR HA 104 TYR QD 3.18
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1581,1590,
&end
#
# 104 TYR HA 104 TYR QE 4.91
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1583,1588,
&end
#
# 104 TYR QB 105 GLY H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1577,1578,
&end
#
# 104 TYR QD 105 GLY H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1581,1590,
&end
#
# 105 GLY H 105 GLY QA 2.84
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1596,1597,
&end
#
# 18 PHE QE 106 URA H1' 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr1= 272, 276,
&end
#
# 18 PHE HZ 106 URA H1' 3.40
&rst
ixpk= 0, nxpk= 0, iat= 274,1610, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 18 PHE HZ 106 URA H2' 4.70
&rst
ixpk= 0, nxpk= 0, iat= 274,1625, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 PHE HZ 106 URA H3' 5.60
&rst
ixpk= 0, nxpk= 0, iat= 274,1623, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 18 PHE HZ 106 URA H4' 4.70
&rst
ixpk= 0, nxpk= 0, iat= 274,1607, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 PHE HZ 106 URA H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274,1613, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE QE 107 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 272, 276,
&end
#
# 18 PHE QD 107 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 270, 278,
&end
#
# 53 PHE HZ 107 URA H1' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 818,1640, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 PHE QE 107 URA H3' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 272, 276,
&end
#
# 18 PHE QE 107 URA H4' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 272, 276,
&end
#
# 51 PHE QR 107 URA H4' 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 784, 792, 786, 790,
&end
#
# 53 PHE HZ 107 URA H4' 4.70
&rst
ixpk= 0, nxpk= 0, iat= 818,1637, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 PHE HZ 107 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 HIS HE1 108 URA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 739,1670, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 PHE HB2 108 URA H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 810,1670, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 53 PHE HB3 108 URA H1' 5.40
&rst
ixpk= 0, nxpk= 0, iat= 811,1670, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 48 HIS HE1 108 URA H3' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 739,1683, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 51 PHE QR 108 URA H4' 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 784, 792, 786, 790,
&end
#
# 53 PHE QR 108 URA H4' 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 814, 822, 816, 820,
&end
#
# 48 HIS HE1 108 URA H4' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 739,1667, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 51 PHE QR 108 URA Q5' 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 784, 792, 786, 790,
igr2=1664,1665,
&end
#
# 53 PHE HZ 108 URA H5 4.30
&rst
ixpk= 0, nxpk= 0, iat= 818,1675, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 51 PHE QR 108 URA H6 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 784, 792, 786, 790,
&end
#
# 53 PHE QD 108 URA H6 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 814, 822,
&end
#
# 48 HIS HE1 109 URA H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 739,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 HIS HE1 109 URA H2' 5.40
&rst
ixpk= 0, nxpk= 0, iat= 739,1715, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 48 HIS HE1 109 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 739,1697, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 48 HIS HE1 109 URA Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1694,1695,
&end
#
# 48 HIS HE1 109 URA H5 4.60
&rst
ixpk= 0, nxpk= 0, iat= 739,1705, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 48 HIS HE1 109 URA H6 4.30
&rst
ixpk= 0, nxpk= 0, iat= 739,1703, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 106 URA Q5' 106 URA H1' 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1604,1605,
&end
#
# 106 URA H1' 107 URA H6 5.10
&rst
ixpk= 0, nxpk= 0, iat=1610,1643, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 106 URA H2' 106 URA H5 4.20
&rst
ixpk= 0, nxpk= 0, iat=1625,1615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 106 URA H2' 106 URA H6 2.60
&rst
ixpk= 0, nxpk= 0, iat=1625,1613, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 106 URA H3' 106 URA H6 4.10
&rst
ixpk= 0, nxpk= 0, iat=1623,1613, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 106 URA Q5' 106 URA H6 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1604,1605,
&end
#
# 107 URA H1' 108 URA H2' 5.30
&rst
ixpk= 0, nxpk= 0, iat=1640,1685, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 107 URA H1' 108 URA H5 2.50
&rst
ixpk= 0, nxpk= 0, iat=1640,1675, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 107 URA H1' 108 URA H6 3.30
&rst
ixpk= 0, nxpk= 0, iat=1640,1673, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 URA H2' 107 URA H6 3.00
&rst
ixpk= 0, nxpk= 0, iat=1655,1643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 107 URA H2' 108 URA H5 4.90
&rst
ixpk= 0, nxpk= 0, iat=1655,1675, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 107 URA H3' 107 URA H6 4.20
&rst
ixpk= 0, nxpk= 0, iat=1653,1643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 107 URA H3' 108 URA H6 4.60
&rst
ixpk= 0, nxpk= 0, iat=1653,1673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 107 URA H4' 108 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat=1637,1667, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 107 URA H4' 108 URA Q5' 3.40
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1664,1665,
&end
#
# 107 URA H4' 108 URA H5 4.60
&rst
ixpk= 0, nxpk= 0, iat=1637,1675, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 107 URA H4' 108 URA H6 4.60
&rst
ixpk= 0, nxpk= 0, iat=1637,1673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 107 URA Q5' 107 URA H6 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1634,1635,
&end
#
# 108 URA Q5' 108 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1664,1665,
&end
#
# 108 URA H1' 109 URA H5 2.90
&rst
ixpk= 0, nxpk= 0, iat=1670,1705, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 108 URA H1' 109 URA H6 3.50
&rst
ixpk= 0, nxpk= 0, iat=1670,1703, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 URA H2' 108 URA H5 4.40
&rst
ixpk= 0, nxpk= 0, iat=1685,1675, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 108 URA H2' 109 URA H5 4.65
&rst
ixpk= 0, nxpk= 0, iat=1685,1705, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 108 URA H3' 108 URA H6 3.90
&rst
ixpk= 0, nxpk= 0, iat=1683,1673, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 108 URA Q5' 108 URA H6 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1664,1665,
&end
#
# 109 URA H2' 109 URA H6 3.20
&rst
ixpk= 0, nxpk= 0, iat=1715,1703, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 109 URA Q5' 109 URA H6 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1694,1695,
&end
#
# 20 GLY HA2 106 URA H1' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 303,1610, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 GLY HA3 106 URA H1' 4.40
&rst
ixpk= 0, nxpk= 0, iat= 304,1610, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 21 ASN HA 106 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 310,1610, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 51 PHE HA 106 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 778,1610, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 51 PHE HB2 106 URA H1' 5.40
&rst
ixpk= 0, nxpk= 0, iat= 780,1610, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 51 PHE HB3 106 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 781,1610, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 80 ASP QB 106 URA H1' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1217,1218,
&end
#
# 91 ARG QB 106 URA H1' 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1382,1383,
&end
#
# 91 ARG QD 106 URA H1' 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1388,1389,
&end
#
# 91 ARG QG 106 URA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1385,1386,
&end
#
# 20 GLY HA2 106 URA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLY HA3 106 URA H2' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 304,1625, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 21 ASN HA 106 URA H2' 5.40
&rst
ixpk= 0, nxpk= 0, iat= 310,1625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 21 ASN QB 106 URA H2' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 312, 313,
&end
#
# 91 ARG QD 106 URA H2' 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1388,1389,
&end
#
# 91 ARG QG 106 URA H2' 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1385,1386,
&end
#
# 93 LYS HA 106 URA H2' 4.90
&rst
ixpk= 0, nxpk= 0, iat=1411,1625, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 93 LYS QB 106 URA H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1413,1414,
&end
#
# 20 GLY HA2 106 URA H4' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 303,1607, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 20 GLY HA3 106 URA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 304,1607, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 PHE HA 106 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 778,1607, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 51 PHE HB2 106 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 780,1607, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 51 PHE HB3 106 URA H4' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 781,1607, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 51 PHE HB3 106 URA Q5' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1604,1605,
&end
#
# 21 ASN HA 106 URA H5 4.60
&rst
ixpk= 0, nxpk= 0, iat= 310,1615, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 21 ASN QB 106 URA H5 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 312, 313,
&end
#
# 80 ASP HB2 106 URA H5 5.30
&rst
ixpk= 0, nxpk= 0, iat=1217,1615, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 80 ASP HB3 106 URA H5 5.70
&rst
ixpk= 0, nxpk= 0, iat=1218,1615, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 91 ARG QG 106 URA H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1385,1386,
&end
#
# 92 GLY QA 106 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1404,1405,
&end
#
# 93 LYS HA 106 URA H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=1411,1615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 LYS QB 106 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1413,1414,
&end
#
# 93 LYS QG 106 URA H5 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1416,1417,
&end
#
# 94 ALA HA 106 URA H5 4.40
&rst
ixpk= 0, nxpk= 0, iat=1433,1615, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 94 ALA QB 106 URA H5 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1435,1436,1437,
&end
#
# 20 GLY HA2 106 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat= 303,1613, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 21 ASN HA 106 URA H6 4.50
&rst
ixpk= 0, nxpk= 0, iat= 310,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ASN HB2 106 URA H6 5.30
&rst
ixpk= 0, nxpk= 0, iat= 312,1613, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 21 ASN HB3 106 URA H6 5.20
&rst
ixpk= 0, nxpk= 0, iat= 313,1613, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 92 GLY QA 106 URA H6 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1404,1405,
&end
#
# 93 LYS HA 106 URA H6 4.70
&rst
ixpk= 0, nxpk= 0, iat=1411,1613, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 93 LYS QB 106 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1413,1414,
&end
#
# 93 LYS QD 106 URA H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1419,1420,
&end
#
# 94 ALA HA 106 URA H6 5.20
&rst
ixpk= 0, nxpk= 0, iat=1433,1613, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 13 MET QE 107 URA H1' 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 191, 192, 193,
&end
#
# 84 ALA HA 107 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat=1279,1640, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 84 ALA QB 107 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1281,1282,1283,
&end
#
# 91 ARG QD 107 URA H1' 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1388,1389,
&end
#
# 91 ARG QD 107 URA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1389,
&end
#
# 91 ARG QD 107 URA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1389,
&end
#
# 51 PHE HB2 107 URA H4' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 780,1637, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 51 PHE HB3 107 URA H4' 5.80
&rst
ixpk= 0, nxpk= 0, iat= 781,1637, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 87 PRO HA 107 URA H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=1322,1645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 ARG QD 107 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1388,1389,
&end
#
# 51 PHE HA 107 URA Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1634,1635,
&end
#
# 51 PHE HB2 107 URA Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1634,1635,
&end
#
# 51 PHE HB3 107 URA Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1634,1635,
&end
#
# 87 PRO HB3 107 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat=1320,1643, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 87 PRO HB2 107 URA H6 5.90
&rst
ixpk= 0, nxpk= 0, iat=1319,1643, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 87 PRO HG3 107 URA H6 5.90
&rst
ixpk= 0, nxpk= 0, iat=1317,1643, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 91 ARG QD 107 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1388,1389,
&end
#
# 6 ASN HA 108 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 71,1670, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 6 ASN HB2 108 URA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 73,1670, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 ASN HB3 108 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 74,1670, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 8 THR QG2 108 URA H5 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 111, 112, 113,
&end
#
# 13 MET QE 108 URA H5 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 191, 192, 193,
&end
#
# 84 ALA QB 108 URA H5 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1281,1282,1283,
&end
#
# 6 ASN HA 108 URA H6 6.20
&rst
ixpk= 0, nxpk= 0, iat= 71,1673, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 3 ASN HA 109 URA H1' 5.70
&rst
ixpk= 0, nxpk= 0, iat= 27,1700, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 3 ASN QB 109 URA H1' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 29, 30,
&end
#
# 3 ASN QD2 109 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 34, 35,
&end
#
# 4 VAL QQG 109 URA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 THR QG2 109 URA H1' 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 61, 62, 63,
&end
#
# 46 SER HA 109 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 705,1700, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 46 SER HB2 109 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 707,1700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 46 SER HB3 109 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 708,1700, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 4 VAL QQG 109 URA H2' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 48 HIS HA 109 URA H4' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 732,1697, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 48 HIS HA 109 URA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1694,1695,
&end
#
# 48 HIS QB 109 URA Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 734, 735,
igr2=1694,1695,
&end
#
# 4 VAL QQG 109 URA H5 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 THR QG2 109 URA H5 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 61, 62, 63,
&end
#
# 6 ASN HA 109 URA H5 4.30
&rst
ixpk= 0, nxpk= 0, iat= 71,1705, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 6 ASN HB2 109 URA H5 4.20
&rst
ixpk= 0, nxpk= 0, iat= 73,1705, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 6 ASN HB3 109 URA H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 74,1705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 VAL QQG 109 URA H6 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 6 ASN HB2 109 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat= 73,1703, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 6 ASN HB3 109 URA H6 5.60
&rst
ixpk= 0, nxpk= 0, iat= 74,1703, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 13 MET QE 107 URA H3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 191, 192, 193,
&end
#
# 18 PHE HB2 107 URA H3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 266,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE QD 107 URA H3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 270, 278,
&end
#
# 84 ALA HA 107 URA H3 3.20
&rst
ixpk= 0, nxpk= 0, iat=1279,1649, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 84 ALA QB 107 URA H3 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1281,1282,1283,
&end
#
# 85 ALA HA 107 URA H3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1289,1649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 ALA QB 107 URA H3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1291,1292,1293,
&end
#
# 87 PRO QB 107 URA H3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1319,1320,
&end
#
# 87 PRO QG 107 URA H3 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1316,1317,
&end
#
# 6 ASN H 109 URA H5 5.30
&rst
ixpk= 0, nxpk= 0, iat= 69,1705, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 6 ASN HD21 109 URA H5 4.70
&rst
ixpk= 0, nxpk= 0, iat= 79,1705, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 6 ASN HD22 108 URA H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 78,1670, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 ASN HD22 109 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat= 78,1705, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 20 GLY H 106 URA H1' 5.80
&rst
ixpk= 0, nxpk= 0, iat= 301,1610, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 21 ASN H 106 URA H1' 5.20
&rst
ixpk= 0, nxpk= 0, iat= 308,1610, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 21 ASN HD21 106 URA H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= 318,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 ARG HE 107 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat=1391,1643, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 94 ALA H 106 URA H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=1431,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 ALA QB 33 GLU QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
rk2=50, rk3=50, ir6=1, ialtd=0,
igr1= 8, 9, 10,
igr2= 507, 508,
&end
#
# 18 PHE HB2 82 ASN H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 266,1244, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 18 PHE HB2 82 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1253,1254,
&end
#
# 18 PHE HB3 82 ASN H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 267,1244, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 18 PHE HB3 82 ASN QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1253,1254,
&end
#
# 18 PHE QD 84 ALA H 6.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 270, 278,
&end
#
# 18 PHE QE 51 PHE HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 272, 276,
&end
#
# 33 GLU QB 37 SER H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 507, 508,
&end
#
# 46 SER HB2 48 HIS HE1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 707, 739, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 48 HIS H 51 PHE QR 6.52
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr2= 784, 792, 786, 790,
&end
#
# 48 HIS HB2 50 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 734, 769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 HIS HB2 51 PHE QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 786, 790,
&end
#
# 48 HIS HB2 51 PHE HZ 4.30
&rst
ixpk= 0, nxpk= 0, iat= 734, 788, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 48 HIS HB2 52 ALA HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= 734, 798, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 48 HIS QB 52 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 734, 735,
igr2= 800, 801, 802,
&end
#
# 48 HIS HB3 51 PHE QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 786, 790,
&end
#
# 48 HIS HB3 51 PHE HZ 4.30
&rst
ixpk= 0, nxpk= 0, iat= 735, 788, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 53 PHE QD 54 VAL HB 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 814, 822,
&end
Contact the webmaster for help, if required. Monday, May 13, 2024 3:10:50 AM GMT (wattos1)