NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
587697 |
2mxy   |
25436 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 2 ALA HA 43 ILE QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr2= 656, 657, 658,
&end
#
# 2 ALA HA 44 VAL HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 6, 671, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 2 ALA QB 30 LYS QE 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 8, 9, 10,
igr2= 455, 456,
&end
#
# 2 ALA QB 34 GLU QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 8, 9, 10,
igr2= 507, 508,
&end
#
# 2 ALA QB 3 SER HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 3 SER QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 8, 9, 10,
igr2= 18, 19,
&end
#
# 2 ALA QB 42 LYS QE 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= 641, 642,
&end
#
# 2 ALA QB 43 ILE HB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 43 ILE HG13 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 43 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 8, 9, 10,
igr2= 663, 664, 665,
&end
#
# 2 ALA QB 43 ILE QG2 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 8, 9, 10,
igr2= 656, 657, 658,
&end
#
# 2 ALA QB 44 VAL H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 44 VAL HA 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 44 VAL HB 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 44 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 8, 9, 10,
igr2= 675, 676, 677,
&end
#
# 2 ALA QB 44 VAL QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 8, 9, 10,
igr2= 679, 680, 681,
&end
#
# 2 ALA QB 45 GLY H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 45 GLY HA2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 45 GLY HA3 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 46 CYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 46 CYS HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 8, 9, 10,
&end
#
# 2 ALA QB 46 CYS QB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 8, 9, 10,
igr2= 696, 697,
&end
#
# 2 ALA QB 55 VAL QQG 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 8, 9, 10,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 2 ALA QB 56 GLN H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 8, 9, 10,
&end
#
# 3 SER HA 45 GLY HA2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 16, 687, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 3 SER HA 4 ASN H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 16, 25, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 3 SER HA 4 ASN HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 16, 27, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 3 SER HA 4 ASN QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 29, 30,
&end
#
# 3 SER HA 5 VAL H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 16, 39, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 3 SER HA 5 VAL QQG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 3 SER QB 44 VAL HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 18, 19,
&end
#
# 3 SER QB 44 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 18, 19,
&end
#
# 3 SER QB 44 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 18, 19,
igr2= 675, 676, 677,
&end
#
# 3 SER QB 44 VAL QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 18, 19,
igr2= 679, 680, 681,
&end
#
# 3 SER QB 45 GLY H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 18, 19,
&end
#
# 3 SER QB 45 GLY HA2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 18, 19,
&end
#
# 3 SER QB 45 GLY HA3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 18, 19,
&end
#
# 3 SER QB 46 CYS H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 18, 19,
&end
#
# 3 SER QB 4 ASN H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 18, 19,
&end
#
# 3 SER QB 4 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 18, 19,
&end
#
# 3 SER QB 56 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 18, 19,
&end
#
# 3 SER QB 5 VAL H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 18, 19,
&end
#
# 3 SER QB 5 VAL HB 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 43, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 18, 19,
&end
#
# 3 SER QB 5 VAL QQG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 18, 19,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 3 SER QB 6 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= 18, 19,
igr2= 61, 62, 63,
&end
#
# 4 ASN H 4 ASN QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 29, 30,
&end
#
# 4 ASN H 4 ASN QD2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 34, 35,
&end
#
# 4 ASN H 5 VAL H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 25, 39, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 4 ASN H 5 VAL HB 5.37
&rst
ixpk= 0, nxpk= 0, iat= 25, 43, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 4 ASN H 5 VAL QQG 3.90
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 4 ASN HA 45 GLY HA3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 27, 688, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 4 ASN HA 46 CYS H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 27, 692, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 4 ASN HA 46 CYS HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 27, 694, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 4 ASN HA 47 SER HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 27, 705, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 4 ASN HA 47 SER QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 707, 708,
&end
#
# 4 ASN HA 4 ASN QD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 34, 35,
&end
#
# 4 ASN HA 5 VAL QQG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 4 ASN HA 6 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 61, 62, 63,
&end
#
# 4 ASN QB 4 ASN QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 29, 30,
igr2= 34, 35,
&end
#
# 4 ASN QB 5 VAL H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 29, 30,
&end
#
# 4 ASN QB 5 VAL QQG 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 29, 30,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 4 ASN QD2 5 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= 34, 35,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL H 45 GLY HA3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 39, 688, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 5 VAL H 46 CYS H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 39, 692, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 5 VAL H 5 VAL HB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 39, 43, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 5 VAL H 5 VAL QQG 2.61
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL H 6 THR H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 39, 55, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 5 VAL H 6 THR HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 39, 57, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 5 VAL H 6 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 61, 62, 63,
&end
#
# 5 VAL HA 5 VAL QQG 2.67
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL HA 6 THR H 3.38
&rst
ixpk= 0, nxpk= 0, iat= 41, 55, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 5 VAL HA 6 THR QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 61, 62, 63,
&end
#
# 5 VAL HA 7 ASN H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 41, 69, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 5 VAL HA 8 LYS QE 5.32
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 96, 97,
&end
#
# 5 VAL HB 6 THR H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 43, 55, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 5 VAL HB 7 ASN H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 43, 69, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 5 VAL HB 8 LYS QD 4.64
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 93, 94,
&end
#
# 5 VAL QQG 44 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 45, 46, 47, 49, 50, 51,
igr2= 679, 680, 681,
&end
#
# 5 VAL QQG 45 GLY HA2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 45 GLY HA3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 46 CYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 6 THR H 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 6 THR HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 6 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 7 ASN H 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 7 ASN HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 7 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= 45, 46, 47, 49, 50, 51,
igr2= 78, 79,
&end
#
# 5 VAL QQG 8 LYS H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 8 LYS HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 5 VAL QQG 8 LYS QD 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 45, 46, 47, 49, 50, 51,
igr2= 93, 94,
&end
#
# 5 VAL QQG 8 LYS QE 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 45, 46, 47, 49, 50, 51,
igr2= 96, 97,
&end
#
# 5 VAL QQG 8 LYS QG 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 45, 46, 47, 49, 50, 51,
igr2= 90, 91,
&end
#
# 6 THR H 7 ASN H 3.38
&rst
ixpk= 0, nxpk= 0, iat= 55, 69, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 6 THR H 7 ASN HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 55, 71, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 6 THR H 7 ASN QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 73, 74,
&end
#
# 6 THR HA 17 ARG QD 5.13
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 232, 233,
&end
#
# 6 THR HA 17 ARG QG 5.22
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 229, 230,
&end
#
# 6 THR HA 56 GLN HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 57, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 6 THR HA 56 GLN HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 57, 847, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 6 THR HA 56 GLN QG 4.67
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 849, 850,
&end
#
# 6 THR HA 6 THR QG2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 61, 62, 63,
&end
#
# 6 THR HB 17 ARG HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 59, 224, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 6 THR HB 17 ARG HE 4.82
&rst
ixpk= 0, nxpk= 0, iat= 59, 235, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 6 THR HB 17 ARG QD 5.05
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 232, 233,
&end
#
# 6 THR HB 17 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 229, 230,
&end
#
# 6 THR HB 54 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
#
# 6 THR HB 54 PHE QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 810, 811,
&end
#
# 6 THR HB 56 GLN HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 59, 846, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 6 THR HB 56 GLN HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 59, 847, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 6 THR HB 56 GLN QG 5.32
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 849, 850,
&end
#
# 6 THR QG2 17 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
#
# 6 THR QG2 17 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 61, 62, 63,
igr2= 232, 233,
&end
#
# 6 THR QG2 43 ILE QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 61, 62, 63,
igr2= 656, 657, 658,
&end
#
# 6 THR QG2 45 GLY HA2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 45 GLY HA3 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 46 CYS H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 46 CYS HA 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 46 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 61, 62, 63,
igr2= 696, 697,
&end
#
# 6 THR QG2 47 SER H 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 47 SER HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 47 SER QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 61, 62, 63,
igr2= 707, 708,
&end
#
# 6 THR QG2 54 PHE H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 54 PHE HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 54 PHE QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 61, 62, 63,
igr2= 810, 811,
&end
#
# 6 THR QG2 54 PHE QD 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 61, 62, 63,
igr2= 814, 822,
&end
#
# 6 THR QG2 55 VAL H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 55 VAL HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 55 VAL QQG 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 61, 62, 63,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 6 THR QG2 56 GLN H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 56 GLN HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 56 GLN HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 56 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 61, 62, 63,
&end
#
# 6 THR QG2 56 GLN QG 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 61, 62, 63,
igr2= 849, 850,
&end
#
# 6 THR QG2 57 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 61, 62, 63,
&end
#
# 7 ASN H 7 ASN QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 73, 74,
&end
#
# 7 ASN H 7 ASN QD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 78, 79,
&end
#
# 7 ASN H 8 LYS H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 69, 83, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 7 ASN HA 7 ASN QD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 78, 79,
&end
#
# 7 ASN HA 8 LYS QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 93, 94,
&end
#
# 7 ASN HA 9 THR QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 111, 112, 113,
&end
#
# 7 ASN QB 7 ASN QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 73, 74,
igr2= 78, 79,
&end
#
# 7 ASN QB 8 LYS QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 73, 74,
igr2= 96, 97,
&end
#
# 7 ASN QD2 8 LYS QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 78, 79,
igr2= 96, 97,
&end
#
# 8 LYS H 8 LYS HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 83, 87, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 8 LYS H 8 LYS QD 4.27
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 93, 94,
&end
#
# 8 LYS H 8 LYS QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 96, 97,
&end
#
# 8 LYS H 8 LYS QG 4.29
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 90, 91,
&end
#
# 8 LYS H 9 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 111, 112, 113,
&end
#
# 8 LYS HA 10 ASP H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 85, 119, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 8 LYS HA 8 LYS QD 3.47
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 93, 94,
&end
#
# 8 LYS HA 8 LYS QE 3.66
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 96, 97,
&end
#
# 8 LYS HA 8 LYS QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 90, 91,
&end
#
# 8 LYS HA 9 THR H 2.98
&rst
ixpk= 0, nxpk= 0, iat= 85, 105, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 8 LYS HA 9 THR HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 85, 107, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 8 LYS HA 9 THR QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 111, 112, 113,
&end
#
# 8 LYS HB2 8 LYS QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 93, 94,
&end
#
# 8 LYS HB2 8 LYS QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 96, 97,
&end
#
# 8 LYS HB3 10 ASP H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 88, 119, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 8 LYS HB3 10 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 88, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LYS HB3 13 SER QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 173, 174,
&end
#
# 8 LYS HB3 8 LYS QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 93, 94,
&end
#
# 8 LYS HB3 8 LYS QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 96, 97,
&end
#
# 8 LYS HB3 9 THR H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 88, 105, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 8 LYS QD 13 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= 93, 94,
igr2= 173, 174,
&end
#
# 8 LYS QD 8 LYS QE 2.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr1= 93, 94,
igr2= 96, 97,
&end
#
# 8 LYS QD 9 THR H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 93, 94,
&end
#
# 8 LYS QE 9 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= 96, 97,
&end
#
# 8 LYS QE 9 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= 96, 97,
igr2= 111, 112, 113,
&end
#
# 8 LYS QG 10 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 90, 91,
&end
#
# 8 LYS QG 10 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 90, 91,
&end
#
# 8 LYS QG 8 LYS QD 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 90, 91,
igr2= 93, 94,
&end
#
# 8 LYS QG 8 LYS QE 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 90, 91,
igr2= 96, 97,
&end
#
# 8 LYS QG 9 THR H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 90, 91,
&end
#
# 9 THR H 10 ASP H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 105, 119, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 9 THR H 10 ASP HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 105, 121, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 9 THR H 10 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 THR H 9 THR QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 111, 112, 113,
&end
#
# 9 THR HA 10 ASP H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 107, 119, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 9 THR HA 14 MET H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 107, 180, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 9 THR HA 14 MET HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 107, 187, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 9 THR HA 14 MET HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 107, 188, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 9 THR HA 14 MET QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 191, 192, 193,
&end
#
# 9 THR HA 9 THR HB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 107, 109, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 9 THR HA 9 THR QG2 2.65
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 111, 112, 113,
&end
#
# 9 THR HB 14 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 109, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 THR HB 14 MET HG3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 109, 188, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 9 THR HB 14 MET QE 5.07
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 191, 192, 193,
&end
#
# 9 THR QG2 10 ASP H 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 111, 112, 113,
&end
#
# 9 THR QG2 14 MET HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 111, 112, 113,
&end
#
# 9 THR QG2 14 MET HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 111, 112, 113,
&end
#
# 9 THR QG2 14 MET QE 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 111, 112, 113,
igr2= 191, 192, 193,
&end
#
# 10 ASP H 10 ASP HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 119, 123, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 10 ASP H 10 ASP HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 10 ASP H 13 SER H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 119, 169, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 10 ASP H 13 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 119, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASP H 13 SER QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 173, 174,
&end
#
# 10 ASP H 14 MET H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 119, 180, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 10 ASP H 14 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 119, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASP H 14 MET HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 119, 187, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 10 ASP HA 11 PRO HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 10 ASP HA 11 PRO HD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 121, 132, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 10 ASP HA 11 PRO HD3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 121, 133, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 10 ASP HA 11 PRO QG 4.67
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 135, 136,
&end
#
# 10 ASP HA 12 ARG H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 121, 145, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 10 ASP HA 13 SER H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 121, 169, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 10 ASP HA 14 MET H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 121, 180, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 ASP HA 14 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASP HB2 11 PRO HD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 123, 132, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 10 ASP HB2 11 PRO HD3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 123, 133, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 ASP HB2 11 PRO QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 135, 136,
&end
#
# 10 ASP HB2 12 ARG H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 123, 145, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 10 ASP HB2 12 ARG QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 155, 156,
&end
#
# 10 ASP HB2 13 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 123, 169, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 10 ASP HB2 14 MET H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 123, 180, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 10 ASP HB3 11 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 124, 138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASP HB3 11 PRO HD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 124, 132, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 10 ASP HB3 11 PRO HD3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 124, 133, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 10 ASP HB3 11 PRO QG 5.49
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 135, 136,
&end
#
# 10 ASP HB3 12 ARG H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 124, 145, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 10 ASP HB3 12 ARG HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 124, 153, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 10 ASP HB3 12 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 149, 150,
&end
#
# 10 ASP HB3 13 SER H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 124, 169, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 10 ASP HB3 14 MET H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 124, 180, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 11 PRO HA 14 MET H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 141, 180, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 11 PRO HA 14 MET HG3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 141, 188, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 11 PRO HB2 12 ARG H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 11 PRO HB2 12 ARG HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 11 PRO HB2 15 ASN HD22 4.95
&rst
ixpk= 0, nxpk= 0, iat= 138, 206, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 11 PRO HB3 12 ARG H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PRO HD2 12 ARG H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 132, 145, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 11 PRO HD2 14 MET H 5.70
&rst
ixpk= 0, nxpk= 0, iat= 132, 180, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 11 PRO HD3 12 ARG H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 133, 145, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 11 PRO QG 12 ARG H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 135, 136,
&end
#
# 12 ARG H 12 ARG HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 12 ARG H 12 ARG HG3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 145, 153, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 12 ARG H 12 ARG QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 149, 150,
&end
#
# 12 ARG H 12 ARG QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 155, 156,
&end
#
# 12 ARG H 13 SER H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 145, 169, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 12 ARG H 13 SER QB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 173, 174,
&end
#
# 12 ARG H 14 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 145, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HA 12 ARG HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 12 ARG HA 12 ARG HG3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 147, 153, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 12 ARG HA 12 ARG QB 2.78
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 149, 150,
&end
#
# 12 ARG HA 12 ARG QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 155, 156,
&end
#
# 12 ARG HA 15 ASN HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 147, 201, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 12 ARG HA 15 ASN HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 147, 202, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 12 ARG HA 15 ASN HD21 4.25
&rst
ixpk= 0, nxpk= 0, iat= 147, 207, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 12 ARG HA 15 ASN HD22 3.98
&rst
ixpk= 0, nxpk= 0, iat= 147, 206, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 12 ARG HG2 12 ARG QD 2.61
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2= 155, 156,
&end
#
# 12 ARG HG2 13 SER H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 152, 169, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 12 ARG HG3 12 ARG QD 2.58
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2= 155, 156,
&end
#
# 12 ARG HG3 13 SER H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 153, 169, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 12 ARG QB 12 ARG HG2 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr1= 149, 150,
&end
#
# 12 ARG QB 12 ARG HG3 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 149, 150,
&end
#
# 12 ARG QB 12 ARG QD 2.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 149, 150,
igr2= 155, 156,
&end
#
# 12 ARG QB 13 SER H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 149, 150,
&end
#
# 12 ARG QB 16 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= 149, 150,
igr2= 215, 216,
&end
#
# 12 ARG QB 59 ASN HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 149, 150,
&end
#
# 12 ARG QD 13 SER H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 155, 156,
&end
#
# 12 ARG QD 13 SER QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 155, 156,
igr2= 173, 174,
&end
#
# 12 ARG QD 16 SER QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 155, 156,
igr2= 215, 216,
&end
#
# 12 ARG QD 59 ASN HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 155, 156,
&end
#
# 13 SER H 13 SER QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 173, 174,
&end
#
# 13 SER H 14 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 SER H 16 SER H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 169, 211, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 13 SER H 16 SER QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 215, 216,
&end
#
# 13 SER HA 15 ASN H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 171, 197, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 13 SER HA 16 SER H 3.72
&rst
ixpk= 0, nxpk= 0, iat= 171, 211, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 13 SER HA 16 SER HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 171, 213, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 13 SER HA 17 ARG H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 171, 222, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 13 SER HA 17 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 226, 227,
&end
#
# 13 SER HA 56 GLN HE21 4.84
&rst
ixpk= 0, nxpk= 0, iat= 171, 855, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 13 SER HA 56 GLN HE22 3.86
&rst
ixpk= 0, nxpk= 0, iat= 171, 854, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 13 SER HA 59 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 SER QB 14 MET H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 173, 174,
&end
#
# 13 SER QB 14 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 173, 174,
&end
#
# 13 SER QB 15 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 173, 174,
&end
#
# 13 SER QB 56 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 173, 174,
&end
#
# 14 MET H 14 MET HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 14 MET H 14 MET HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 14 MET H 14 MET HG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 180, 187, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 14 MET H 14 MET HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 180, 188, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 14 MET H 14 MET QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 191, 192, 193,
&end
#
# 14 MET H 15 ASN H 3.63
&rst
ixpk= 0, nxpk= 0, iat= 180, 197, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 14 MET H 15 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 MET H 16 SER H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 180, 211, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 14 MET H 17 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 MET HA 14 MET HG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 14 MET HA 14 MET HG3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 182, 188, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 14 MET HA 14 MET QE 3.01
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 191, 192, 193,
&end
#
# 14 MET HA 15 ASN HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 182, 199, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 14 MET HA 16 SER H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 182, 211, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 14 MET HA 17 ARG H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 182, 222, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 14 MET HA 17 ARG QB 5.48
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 226, 227,
&end
#
# 14 MET HA 17 ARG QD 4.53
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 232, 233,
&end
#
# 14 MET HA 85 ALA QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1281,1282,1283,
&end
#
# 14 MET HA 86 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1291,1292,1293,
&end
#
# 14 MET HB2 15 ASN H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 184, 197, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 14 MET HB2 15 ASN HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 184, 202, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 14 MET HB2 15 ASN HD21 4.10
&rst
ixpk= 0, nxpk= 0, iat= 184, 207, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 14 MET HB2 15 ASN HD22 3.99
&rst
ixpk= 0, nxpk= 0, iat= 184, 206, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 14 MET HB3 14 MET QE 2.40
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2= 191, 192, 193,
&end
#
# 14 MET HB3 15 ASN H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 185, 197, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 14 MET HB3 86 ALA QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1291,1292,1293,
&end
#
# 14 MET HG2 14 MET QE 3.04
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 191, 192, 193,
&end
#
# 14 MET HG2 15 ASN H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 14 MET HG2 15 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 187, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 MET HG2 85 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1281,1282,1283,
&end
#
# 14 MET HG2 86 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1291,1292,1293,
&end
#
# 14 MET HG3 14 MET QE 3.43
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 191, 192, 193,
&end
#
# 14 MET HG3 15 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 188, 197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 MET HG3 86 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1291,1292,1293,
&end
#
# 14 MET QE 15 ASN H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 191, 192, 193,
&end
#
# 14 MET QE 15 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 191, 192, 193,
&end
#
# 14 MET QE 15 ASN HD21 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 191, 192, 193,
&end
#
# 14 MET QE 85 ALA H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 191, 192, 193,
&end
#
# 14 MET QE 85 ALA QB 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 191, 192, 193,
igr2=1281,1282,1283,
&end
#
# 14 MET QE 86 ALA H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 191, 192, 193,
&end
#
# 14 MET QE 86 ALA HA 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 191, 192, 193,
&end
#
# 14 MET QE 86 ALA QB 2.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 191, 192, 193,
igr2=1291,1292,1293,
&end
#
# 15 ASN H 15 ASN HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 15 ASN H 15 ASN HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 15 ASN H 15 ASN HD21 4.34
&rst
ixpk= 0, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 15 ASN H 15 ASN HD22 3.87
&rst
ixpk= 0, nxpk= 0, iat= 197, 206, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 15 ASN H 16 SER H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 197, 211, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 15 ASN H 16 SER HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 197, 213, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 ASN H 16 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 215, 216,
&end
#
# 15 ASN H 17 ARG H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 197, 222, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 15 ASN H 84 LEU QQD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 15 ASN H 85 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1281,1282,1283,
&end
#
# 15 ASN H 86 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1291,1292,1293,
&end
#
# 15 ASN HA 15 ASN HD21 4.11
&rst
ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 ASN HA 15 ASN HD22 4.96
&rst
ixpk= 0, nxpk= 0, iat= 199, 206, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 15 ASN HA 60 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 918, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ASN HA 84 LEU HG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 199,1265, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 15 ASN HA 84 LEU QQD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 15 ASN HA 85 ALA QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1281,1282,1283,
&end
#
# 15 ASN HA 86 ALA QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1291,1292,1293,
&end
#
# 15 ASN HB2 15 ASN HD21 3.66
&rst
ixpk= 0, nxpk= 0, iat= 201, 207, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 15 ASN HB2 16 SER H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 201, 211, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 15 ASN HB2 60 GLU HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 201, 912, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 15 ASN HB2 60 GLU HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 201, 914, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 15 ASN HB2 60 GLU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 201, 915, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 15 ASN HB2 60 GLU HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 201, 917, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 15 ASN HB2 60 GLU HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 201, 918, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 15 ASN HB2 63 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 967, 968, 969,
&end
#
# 15 ASN HB2 84 LEU QQD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 15 ASN HB2 86 ALA QB 5.24
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1291,1292,1293,
&end
#
# 15 ASN HB3 15 ASN HD21 3.36
&rst
ixpk= 0, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 15 ASN HB3 15 ASN HD22 3.52
&rst
ixpk= 0, nxpk= 0, iat= 202, 206, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 15 ASN HB3 16 SER H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 202, 211, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 15 ASN HB3 60 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ASN HB3 84 LEU HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 202,1263, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 15 ASN HB3 84 LEU QQD 5.43
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 15 ASN HB3 86 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1291,1292,1293,
&end
#
# 15 ASN HD21 84 LEU QQD 4.53
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 15 ASN HD21 86 ALA QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1291,1292,1293,
&end
#
# 15 ASN HD22 84 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 15 ASN HD22 86 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1291,1292,1293,
&end
#
# 16 SER H 16 SER QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 215, 216,
&end
#
# 16 SER H 17 ARG H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 211, 222, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 16 SER H 17 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 226, 227,
&end
#
# 16 SER H 60 GLU HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 211, 914, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 16 SER H 63 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 967, 968, 969,
&end
#
# 16 SER H 84 LEU QQD 5.41
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 16 SER HA 17 ARG H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 213, 222, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 16 SER HA 17 ARG HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 213, 224, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 16 SER HA 17 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 226, 227,
&end
#
# 16 SER HA 18 VAL QQG 5.22
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 16 SER HA 56 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 SER HA 56 GLN HE22 4.99
&rst
ixpk= 0, nxpk= 0, iat= 213, 854, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 16 SER HA 57 TYR QD 4.87
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 867, 876,
&end
#
# 16 SER HA 59 ASN HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 213, 898, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 16 SER HA 60 GLU H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 213, 910, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 16 SER HA 60 GLU HA 3.58
&rst
ixpk= 0, nxpk= 0, iat= 213, 912, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 16 SER HA 60 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 914, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 SER HA 60 GLU HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 213, 915, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 16 SER HA 60 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 SER HA 60 GLU HG3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 213, 918, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 16 SER HA 63 ALA H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 213, 963, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 16 SER HA 63 ALA HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 213, 965, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 16 SER HA 63 ALA QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 967, 968, 969,
&end
#
# 16 SER HA 84 LEU QQD 4.81
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 16 SER QB 17 ARG H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 215, 216,
&end
#
# 16 SER QB 56 GLN HE21 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 215, 216,
&end
#
# 16 SER QB 56 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 215, 216,
&end
#
# 16 SER QB 57 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= 215, 216,
igr2= 867, 876,
&end
#
# 16 SER QB 59 ASN H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 215, 216,
&end
#
# 16 SER QB 59 ASN HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 215, 216,
&end
#
# 16 SER QB 60 GLU H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 215, 216,
&end
#
# 16 SER QB 60 GLU HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 215, 216,
&end
#
# 16 SER QB 60 GLU HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 215, 216,
&end
#
# 16 SER QB 60 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
#
# 16 SER QB 63 ALA H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 215, 216,
&end
#
# 16 SER QB 63 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 215, 216,
igr2= 967, 968, 969,
&end
#
# 17 ARG H 17 ARG QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 226, 227,
&end
#
# 17 ARG H 17 ARG QG 4.73
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 229, 230,
&end
#
# 17 ARG H 18 VAL H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 222, 246, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 17 ARG H 18 VAL QQG 5.21
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 17 ARG H 56 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ARG H 56 GLN HE22 4.40
&rst
ixpk= 0, nxpk= 0, iat= 222, 854, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 17 ARG H 63 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 967, 968, 969,
&end
#
# 17 ARG H 84 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 17 ARG H 85 ALA QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1281,1282,1283,
&end
#
# 17 ARG HA 17 ARG QD 5.13
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 232, 233,
&end
#
# 17 ARG HA 18 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224, 250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ARG HA 18 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= 252, 253, 254, 256, 257, 258,
&end
#
# 17 ARG HA 55 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224, 830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ARG HA 55 VAL QQG 4.84
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 17 ARG HA 56 GLN H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 224, 842, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 17 ARG HA 56 GLN HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 224, 844, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 17 ARG HA 56 GLN HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 224, 846, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 17 ARG HA 57 TYR H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 224, 859, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 17 ARG HA 63 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 967, 968, 969,
&end
#
# 17 ARG HA 85 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1281,1282,1283,
&end
#
# 17 ARG HE 56 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ARG HE 56 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ARG HE 85 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1281,1282,1283,
&end
#
# 17 ARG QB 17 ARG HE 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 226, 227,
&end
#
# 17 ARG QB 18 VAL H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 226, 227,
&end
#
# 17 ARG QB 55 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 226, 227,
&end
#
# 17 ARG QB 56 GLN HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 226, 227,
&end
#
# 17 ARG QB 85 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 226, 227,
igr2=1281,1282,1283,
&end
#
# 17 ARG QD 56 GLN HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 232, 233,
&end
#
# 17 ARG QD 85 ALA QB 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 232, 233,
igr2=1281,1282,1283,
&end
#
# 17 ARG QG 18 VAL H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 229, 230,
&end
#
# 17 ARG QG 56 GLN HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 229, 230,
&end
#
# 18 VAL H 18 VAL HB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 246, 250, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 18 VAL H 18 VAL QQG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL H 19 PHE H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 246, 262, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 18 VAL H 54 PHE QD 5.28
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 814, 822,
&end
#
# 18 VAL H 55 VAL H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 246, 826, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 18 VAL H 55 VAL HB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 246, 830, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 18 VAL H 56 GLN HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 246, 844, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 18 VAL H 57 TYR H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 246, 859, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 18 VAL H 57 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 867, 876,
&end
#
# 18 VAL H 63 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 967, 968, 969,
&end
#
# 18 VAL H 67 VAL QQG 5.19
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 18 VAL H 85 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1281,1282,1283,
&end
#
# 18 VAL HA 18 VAL QQG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL HA 19 PHE H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 248, 262, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 VAL HA 19 PHE HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 248, 266, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 18 VAL HA 19 PHE HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 248, 267, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 18 VAL HA 63 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 967, 968, 969,
&end
#
# 18 VAL HA 67 VAL QQG 4.01
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 18 VAL HA 82 ILE QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1231,1232,1233,
&end
#
# 18 VAL HA 83 ASN H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 248,1244, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 18 VAL HA 85 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1281,1282,1283,
&end
#
# 18 VAL HB 19 PHE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 250, 262, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 18 VAL HB 20 ILE QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 295, 296, 297,
&end
#
# 18 VAL HB 54 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 VAL HB 54 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 814, 822,
&end
#
# 18 VAL HB 55 VAL H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 250, 826, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 18 VAL HB 55 VAL HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 250, 830, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 18 VAL HB 55 VAL QQG 3.84
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 18 VAL HB 57 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
#
# 18 VAL HB 57 TYR QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 869, 874,
&end
#
# 18 VAL HB 82 ILE QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1231,1232,1233,
&end
#
# 18 VAL QQG 19 PHE H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 20 ILE H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 20 ILE HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 20 ILE HG12 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 20 ILE HG13 2.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 20 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 295, 296, 297,
&end
#
# 18 VAL QQG 37 PHE HB3 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 37 PHE HZ 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 37 PHE QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 555, 563,
&end
#
# 18 VAL QQG 37 PHE QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 557, 561,
&end
#
# 18 VAL QQG 43 ILE QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 663, 664, 665,
&end
#
# 18 VAL QQG 54 PHE HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 55 VAL H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 55 VAL HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 55 VAL HB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 55 VAL QQG 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 18 VAL QQG 56 GLN HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 57 TYR H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 57 TYR HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 57 TYR QD 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 867, 876,
&end
#
# 18 VAL QQG 57 TYR QE 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 869, 874,
&end
#
# 18 VAL QQG 63 ALA H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 63 ALA HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 63 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 252, 253, 254, 256, 257, 258,
igr2= 967, 968, 969,
&end
#
# 18 VAL QQG 66 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
#
# 18 VAL QQG 66 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 252, 253, 254, 256, 257, 258,
igr2=1011,1012,1013,
&end
#
# 18 VAL QQG 67 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 67 VAL HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 67 VAL QQG 2.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 252, 253, 254, 256, 257, 258,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 18 VAL QQG 82 ILE HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 82 ILE HB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 82 ILE QG1 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 252, 253, 254, 256, 257, 258,
igr2=1235,1236,
&end
#
# 18 VAL QQG 82 ILE QG2 2.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 252, 253, 254, 256, 257, 258,
igr2=1231,1232,1233,
&end
#
# 18 VAL QQG 83 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 18 VAL QQG 83 ASN HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 252, 253, 254, 256, 257, 258,
&end
#
# 19 PHE H 19 PHE HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 19 PHE H 19 PHE HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 262, 267, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 19 PHE H 19 PHE QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 270, 278,
&end
#
# 19 PHE H 20 ILE H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 262, 282, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 19 PHE H 20 ILE HG13 5.22
&rst
ixpk= 0, nxpk= 0, iat= 262, 293, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 19 PHE H 20 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 295, 296, 297,
&end
#
# 19 PHE H 54 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 262, 808, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE H 82 ILE HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 262,1227, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 19 PHE H 83 ASN H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 262,1244, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 19 PHE H 83 ASN QD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1253,1254,
&end
#
# 19 PHE H 84 LEU H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 262,1258, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 19 PHE H 84 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 19 PHE H 85 ALA HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 262,1279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE H 85 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1281,1282,1283,
&end
#
# 19 PHE HA 19 PHE QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 270, 278,
&end
#
# 19 PHE HA 20 ILE H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 264, 282, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 19 PHE HA 20 ILE HB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 264, 286, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 19 PHE HA 20 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 264, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HA 20 ILE HG13 4.73
&rst
ixpk= 0, nxpk= 0, iat= 264, 293, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 19 PHE HA 20 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 295, 296, 297,
&end
#
# 19 PHE HA 54 PHE HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 264, 808, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 19 PHE HA 54 PHE QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 810, 811,
&end
#
# 19 PHE HA 55 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 264, 826, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 19 PHE HA 55 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 19 PHE HB2 20 ILE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 266, 282, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 19 PHE HB2 54 PHE QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 814, 822,
&end
#
# 19 PHE HB2 85 ALA HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 266,1279, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 19 PHE HB2 85 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1281,1282,1283,
&end
#
# 19 PHE HB3 20 ILE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 267, 282, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 19 PHE HB3 83 ASN H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 267,1244, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 19 PHE HB3 83 ASN QD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1253,1254,
&end
#
# 19 PHE HB3 84 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 267,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HB3 85 ALA H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 267,1277, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 19 PHE HB3 85 ALA HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 267,1279, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 19 PHE HB3 85 ALA QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1281,1282,1283,
&end
#
# 19 PHE HZ 21 GLY QA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 303, 304,
&end
#
# 19 PHE HZ 22 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE QD 20 ILE H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 270, 278,
&end
#
# 19 PHE QD 21 GLY QA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 270, 278,
igr2= 303, 304,
&end
#
# 19 PHE QD 52 PHE QE 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= 786, 790,
&end
#
# 19 PHE QD 53 ALA H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 270, 278,
&end
#
# 19 PHE QD 83 ASN H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 270, 278,
&end
#
# 19 PHE QD 85 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 270, 278,
&end
#
# 19 PHE QE 21 GLY H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 272, 276,
&end
#
# 19 PHE QE 21 GLY QA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 272, 276,
igr2= 303, 304,
&end
#
# 19 PHE QE 22 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 272, 276,
&end
#
# 19 PHE QE 52 PHE QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 272, 276,
igr2= 780, 781,
&end
#
# 20 ILE H 20 ILE HB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 20 ILE H 20 ILE HG12 4.29
&rst
ixpk= 0, nxpk= 0, iat= 282, 292, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 20 ILE H 20 ILE HG13 3.75
&rst
ixpk= 0, nxpk= 0, iat= 282, 293, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 20 ILE H 20 ILE QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 295, 296, 297,
&end
#
# 20 ILE H 20 ILE QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 288, 289, 290,
&end
#
# 20 ILE H 21 GLY H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 282, 301, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 20 ILE H 53 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ILE H 53 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 800, 801, 802,
&end
#
# 20 ILE H 54 PHE HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 282, 808, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 20 ILE H 54 PHE QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 814, 822,
&end
#
# 20 ILE H 82 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1235,1236,
&end
#
# 20 ILE H 83 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ILE HA 20 ILE HG12 4.24
&rst
ixpk= 0, nxpk= 0, iat= 284, 292, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 20 ILE HA 20 ILE HG13 3.76
&rst
ixpk= 0, nxpk= 0, iat= 284, 293, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 20 ILE HA 20 ILE QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 295, 296, 297,
&end
#
# 20 ILE HA 20 ILE QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 288, 289, 290,
&end
#
# 20 ILE HA 21 GLY QA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 303, 304,
&end
#
# 20 ILE HA 37 PHE HZ 5.49
&rst
ixpk= 0, nxpk= 0, iat= 284, 559, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 20 ILE HA 82 ILE H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 284,1225, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 20 ILE HA 82 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 284,1227, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 ILE HA 82 ILE HB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 284,1229, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 20 ILE HA 82 ILE QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1238,1239,1240,
&end
#
# 20 ILE HA 82 ILE QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1235,1236,
&end
#
# 20 ILE HA 82 ILE QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1231,1232,1233,
&end
#
# 20 ILE HA 83 ASN H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 284,1244, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 20 ILE HB 20 ILE QD1 2.95
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 295, 296, 297,
&end
#
# 20 ILE HB 23 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 326, 327,
&end
#
# 20 ILE HB 23 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
#
# 20 ILE HB 33 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 20 ILE HB 53 ALA H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 286, 796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 20 ILE HB 54 PHE HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 286, 808, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 20 ILE HG12 37 PHE HZ 4.93
&rst
ixpk= 0, nxpk= 0, iat= 292, 559, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 20 ILE HG12 37 PHE QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 557, 561,
&end
#
# 20 ILE HG12 66 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1011,1012,1013,
&end
#
# 20 ILE HG12 80 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ILE HG12 80 LEU QQD 5.03
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 20 ILE HG12 82 ILE HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 292,1227, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 20 ILE HG12 82 ILE QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1238,1239,1240,
&end
#
# 20 ILE HG12 82 ILE QG1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1235,1236,
&end
#
# 20 ILE HG12 82 ILE QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1231,1232,1233,
&end
#
# 20 ILE HG13 21 GLY H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 293, 301, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 20 ILE HG13 33 VAL QQG 4.67
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 20 ILE HG13 37 PHE QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 557, 561,
&end
#
# 20 ILE HG13 54 PHE HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 293, 808, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 20 ILE HG13 55 VAL H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 293, 826, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 20 ILE HG13 55 VAL QQG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 20 ILE HG13 82 ILE HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 293,1227, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 20 ILE QD1 21 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 23 LEU QQD 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr1= 295, 296, 297,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 20 ILE QD1 33 VAL HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 33 VAL HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 33 VAL QQG 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 295, 296, 297,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 20 ILE QD1 36 ILE HB 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 36 ILE QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 295, 296, 297,
igr2= 541, 542, 543,
&end
#
# 20 ILE QD1 36 ILE QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 295, 296, 297,
igr2= 534, 535, 536,
&end
#
# 20 ILE QD1 37 PHE HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 37 PHE HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 37 PHE HZ 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 37 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
#
# 20 ILE QD1 37 PHE QE 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 295, 296, 297,
igr2= 557, 561,
&end
#
# 20 ILE QD1 43 ILE QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 295, 296, 297,
igr2= 663, 664, 665,
&end
#
# 20 ILE QD1 47 SER H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 48 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
#
# 20 ILE QD1 53 ALA H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 53 ALA HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 53 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 295, 296, 297,
igr2= 800, 801, 802,
&end
#
# 20 ILE QD1 54 PHE H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 54 PHE HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 55 VAL H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 55 VAL HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 55 VAL HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 55 VAL QQG 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 295, 296, 297,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 20 ILE QD1 66 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 295, 296, 297,
igr2=1011,1012,1013,
&end
#
# 20 ILE QD1 67 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 295, 296, 297,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 20 ILE QD1 80 LEU QQD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 295, 296, 297,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 20 ILE QD1 82 ILE HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 295, 296, 297,
&end
#
# 20 ILE QD1 82 ILE QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 295, 296, 297,
igr2=1238,1239,1240,
&end
#
# 20 ILE QD1 82 ILE QG1 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 295, 296, 297,
igr2=1235,1236,
&end
#
# 20 ILE QD1 82 ILE QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 295, 296, 297,
igr2=1231,1232,1233,
&end
#
# 20 ILE QG2 20 ILE HG12 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 20 ILE HG13 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 20 ILE QD1 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 288, 289, 290,
igr2= 295, 296, 297,
&end
#
# 20 ILE QG2 21 GLY H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 23 LEU H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 23 LEU HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 23 LEU QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 288, 289, 290,
igr2= 326, 327,
&end
#
# 20 ILE QG2 23 LEU QQD 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 288, 289, 290,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 20 ILE QG2 33 VAL QQG 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 288, 289, 290,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 20 ILE QG2 37 PHE HZ 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 37 PHE QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 288, 289, 290,
igr2= 555, 563,
&end
#
# 20 ILE QG2 37 PHE QE 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 288, 289, 290,
igr2= 557, 561,
&end
#
# 20 ILE QG2 53 ALA H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 53 ALA QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 288, 289, 290,
igr2= 800, 801, 802,
&end
#
# 20 ILE QG2 75 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 288, 289, 290,
igr2=1138,1139,1140,
&end
#
# 20 ILE QG2 80 LEU HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 80 LEU HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 80 LEU HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 80 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=1203,1204,1205,1207,1208,1209,
&end
#
# 20 ILE QG2 81 ASP H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 82 ILE HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 82 ILE HB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 288, 289, 290,
&end
#
# 20 ILE QG2 82 ILE QD1 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 288, 289, 290,
igr2=1238,1239,1240,
&end
#
# 20 ILE QG2 82 ILE QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 288, 289, 290,
igr2=1235,1236,
&end
#
# 20 ILE QG2 82 ILE QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 288, 289, 290,
igr2=1231,1232,1233,
&end
#
# 21 GLY H 22 ASN H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 21 GLY H 23 LEU H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 301, 322, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 GLY H 81 ASP H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 301,1213, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 21 GLY H 81 ASP HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 301,1215, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 21 GLY H 81 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1217,1218,
&end
#
# 21 GLY H 82 ILE H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 301,1225, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 21 GLY H 82 ILE HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 301,1227, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 21 GLY H 82 ILE QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1235,1236,
&end
#
# 21 GLY QA 22 ASN HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 303, 304,
&end
#
# 21 GLY QA 22 ASN HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 303, 304,
&end
#
# 21 GLY QA 23 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 303, 304,
&end
#
# 21 GLY QA 52 PHE HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 303, 304,
&end
#
# 21 GLY QA 52 PHE QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 303, 304,
igr2= 780, 781,
&end
#
# 22 ASN H 23 LEU H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 22 ASN H 23 LEU QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 326, 327,
&end
#
# 22 ASN H 25 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 361, 362, 363,
&end
#
# 22 ASN H 52 PHE HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 308, 778, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 22 ASN H 52 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 784, 792,
&end
#
# 22 ASN HA 23 LEU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 326, 327,
&end
#
# 22 ASN HB2 80 LEU HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 312,1196, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 22 ASN HB2 81 ASP QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1217,1218,
&end
#
# 22 ASN HB3 22 ASN HD21 3.85
&rst
ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 22 ASN HB3 80 LEU HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 313,1196, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 22 ASN HB3 80 LEU QQD 4.95
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 22 ASN HB3 81 ASP H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 313,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 22 ASN HB3 81 ASP QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1217,1218,
&end
#
# 22 ASN HD21 78 GLN QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1165,1166,
&end
#
# 22 ASN HD21 79 VAL HB 5.35
&rst
ixpk= 0, nxpk= 0, iat= 318,1182, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 22 ASN HD21 79 VAL QQG 4.85
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 22 ASN HD21 80 LEU HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 318,1196, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 22 ASN HD21 80 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 22 ASN HD22 78 GLN HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 317,1163, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 22 ASN HD22 78 GLN QB 5.37
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1165,1166,
&end
#
# 22 ASN HD22 79 VAL H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 317,1178, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 22 ASN HD22 79 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 317,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HD22 79 VAL QQG 5.13
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 23 LEU H 23 LEU HG 4.44
&rst
ixpk= 0, nxpk= 0, iat= 322, 329, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 23 LEU H 23 LEU QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 326, 327,
&end
#
# 23 LEU H 23 LEU QQD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU H 25 THR QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 361, 362, 363,
&end
#
# 23 LEU H 52 PHE HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= 322, 778, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 23 LEU H 80 LEU QQD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 23 LEU HA 23 LEU QQD 4.06
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU HA 80 LEU HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= 324,1196, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 23 LEU HA 80 LEU HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 324,1199, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 23 LEU HA 80 LEU QQD 3.21
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 23 LEU HG 24 ASN H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 329, 341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 LEU HG 25 THR H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 329, 355, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 23 LEU HG 25 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 361, 362, 363,
&end
#
# 23 LEU HG 28 VAL HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 329, 408, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 23 LEU HG 28 VAL QG1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 410, 411, 412,
&end
#
# 23 LEU HG 28 VAL QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 414, 415, 416,
&end
#
# 23 LEU HG 53 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 800, 801, 802,
&end
#
# 23 LEU HG 75 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1138,1139,1140,
&end
#
# 23 LEU QB 23 LEU QQD 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 326, 327,
igr2= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QB 25 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 326, 327,
&end
#
# 23 LEU QB 25 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 326, 327,
igr2= 361, 362, 363,
&end
#
# 23 LEU QB 52 PHE H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 326, 327,
&end
#
# 23 LEU QB 52 PHE HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 326, 327,
&end
#
# 23 LEU QB 53 ALA H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 326, 327,
&end
#
# 23 LEU QB 80 LEU QQD 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 326, 327,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 23 LEU QQD 24 ASN H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 24 ASN QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 345, 346,
&end
#
# 23 LEU QQD 24 ASN QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 350, 351,
&end
#
# 23 LEU QQD 25 THR H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 25 THR HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 25 THR HB 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 25 THR QG2 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 361, 362, 363,
&end
#
# 23 LEU QQD 26 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 27 VAL H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 28 VAL H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 28 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 28 VAL HB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 28 VAL QG1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 410, 411, 412,
&end
#
# 23 LEU QQD 28 VAL QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 414, 415, 416,
&end
#
# 23 LEU QQD 33 VAL HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 33 VAL HB 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 33 VAL QQG 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 23 LEU QQD 36 ILE QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 541, 542, 543,
&end
#
# 23 LEU QQD 37 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 48 VAL HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 48 VAL HB 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 48 VAL QQG 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 23 LEU QQD 49 HIS H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 52 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 52 PHE HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 53 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 53 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 53 ALA QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 331, 332, 333, 335, 336, 337,
igr2= 800, 801, 802,
&end
#
# 23 LEU QQD 75 ILE HB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 75 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 331, 332, 333, 335, 336, 337,
igr2=1138,1139,1140,
&end
#
# 23 LEU QQD 75 ILE QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 331, 332, 333, 335, 336, 337,
igr2=1131,1132,1133,
&end
#
# 23 LEU QQD 80 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 331, 332, 333, 335, 336, 337,
&end
#
# 23 LEU QQD 80 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 LEU QQD 80 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 331, 332, 333, 335, 336, 337,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 24 ASN H 24 ASN QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 345, 346,
&end
#
# 24 ASN H 24 ASN QD2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 350, 351,
&end
#
# 24 ASN H 25 THR H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 341, 355, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 24 ASN H 25 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 361, 362, 363,
&end
#
# 24 ASN H 75 ILE QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1131,1132,1133,
&end
#
# 24 ASN H 76 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1148,1149,1150,
&end
#
# 24 ASN H 78 GLN H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 341,1161, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 24 ASN H 78 GLN QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1165,1166,
&end
#
# 24 ASN HA 24 ASN QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 350, 351,
&end
#
# 24 ASN HA 25 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 361, 362, 363,
&end
#
# 24 ASN HA 26 LEU H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 343, 369, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 24 ASN HA 27 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 24 ASN HA 76 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1148,1149,1150,
&end
#
# 24 ASN HA 78 GLN HE21 5.10
&rst
ixpk= 0, nxpk= 0, iat= 343,1174, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 24 ASN HA 78 GLN HE22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 343,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN HA 78 GLN QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1165,1166,
&end
#
# 24 ASN QB 24 ASN QD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 345, 346,
igr2= 350, 351,
&end
#
# 24 ASN QB 25 THR H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 345, 346,
&end
#
# 24 ASN QB 26 LEU H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 345, 346,
&end
#
# 24 ASN QB 27 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 345, 346,
&end
#
# 24 ASN QB 27 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 345, 346,
&end
#
# 24 ASN QB 27 VAL QQG 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 345, 346,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 24 ASN QB 28 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 345, 346,
&end
#
# 24 ASN QB 28 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 345, 346,
&end
#
# 24 ASN QB 75 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= 345, 346,
igr2=1131,1132,1133,
&end
#
# 24 ASN QB 76 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 345, 346,
&end
#
# 24 ASN QB 76 ALA QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 345, 346,
igr2=1148,1149,1150,
&end
#
# 24 ASN QB 77 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 345, 346,
&end
#
# 24 ASN QB 78 GLN H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 345, 346,
&end
#
# 24 ASN QB 78 GLN HE21 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 345, 346,
&end
#
# 24 ASN QB 78 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 345, 346,
&end
#
# 24 ASN QB 78 GLN QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 345, 346,
igr2=1165,1166,
&end
#
# 24 ASN QB 80 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= 345, 346,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 24 ASN QD2 25 THR HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 350, 351,
&end
#
# 24 ASN QD2 25 THR QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 350, 351,
igr2= 361, 362, 363,
&end
#
# 24 ASN QD2 26 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= 350, 351,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 24 ASN QD2 27 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 350, 351,
&end
#
# 24 ASN QD2 27 VAL QQG 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 350, 351,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 24 ASN QD2 28 VAL HB 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 350, 351,
&end
#
# 24 ASN QD2 75 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 350, 351,
&end
#
# 24 ASN QD2 75 ILE QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 350, 351,
igr2=1131,1132,1133,
&end
#
# 24 ASN QD2 76 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 350, 351,
&end
#
# 24 ASN QD2 76 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 350, 351,
igr2=1148,1149,1150,
&end
#
# 24 ASN QD2 78 GLN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 350, 351,
igr2=1165,1166,
&end
#
# 25 THR H 25 THR QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 361, 362, 363,
&end
#
# 25 THR H 26 LEU H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 25 THR H 26 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 355, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 THR H 27 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 355, 388, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 25 THR H 28 VAL QG1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 410, 411, 412,
&end
#
# 25 THR HA 25 THR QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 361, 362, 363,
&end
#
# 25 THR HA 27 VAL H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 357, 388, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 THR HA 28 VAL H 3.71
&rst
ixpk= 0, nxpk= 0, iat= 357, 404, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 25 THR HA 28 VAL HB 3.59
&rst
ixpk= 0, nxpk= 0, iat= 357, 408, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 25 THR HA 28 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 410, 411, 412,
&end
#
# 25 THR HA 28 VAL QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 414, 415, 416,
&end
#
# 25 THR HA 29 LYS HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 357, 422, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 25 THR HA 48 VAL QQG 4.14
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 25 THR HA 76 ALA QB 5.70
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1148,1149,1150,
&end
#
# 25 THR HB 48 VAL QQG 3.99
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 25 THR QG2 26 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
#
# 25 THR QG2 26 LEU QQD 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 361, 362, 363,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 25 THR QG2 28 VAL H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 361, 362, 363,
&end
#
# 25 THR QG2 28 VAL HB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 361, 362, 363,
&end
#
# 25 THR QG2 28 VAL QG1 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 361, 362, 363,
igr2= 410, 411, 412,
&end
#
# 25 THR QG2 48 VAL QQG 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 361, 362, 363,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 25 THR QG2 49 HIS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 361, 362, 363,
&end
#
# 25 THR QG2 49 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
#
# 25 THR QG2 50 LYS HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 361, 362, 363,
&end
#
# 25 THR QG2 51 GLY H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 361, 362, 363,
&end
#
# 25 THR QG2 51 GLY QA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 361, 362, 363,
igr2= 771, 772,
&end
#
# 25 THR QG2 52 PHE H 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 361, 362, 363,
&end
#
# 25 THR QG2 52 PHE HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 361, 362, 363,
&end
#
# 26 LEU H 26 LEU HG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 369, 376, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 26 LEU H 26 LEU QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 373, 374,
&end
#
# 26 LEU H 26 LEU QQD 4.17
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 26 LEU H 27 VAL H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 369, 388, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 26 LEU H 27 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LEU H 27 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LEU H 27 VAL QQG 4.33
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 26 LEU H 28 VAL H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 369, 404, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 26 LEU HA 26 LEU QQD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 26 LEU HG 27 VAL H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 376, 388, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 26 LEU HG 27 VAL QQG 4.24
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 26 LEU QB 26 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 373, 374,
igr2= 378, 379, 380, 382, 383, 384,
&end
#
# 26 LEU QB 27 VAL H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 373, 374,
&end
#
# 26 LEU QB 27 VAL HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 373, 374,
&end
#
# 26 LEU QB 27 VAL QQG 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 373, 374,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 26 LEU QQD 27 VAL H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 378, 379, 380, 382, 383, 384,
&end
#
# 26 LEU QQD 27 VAL HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 378, 379, 380, 382, 383, 384,
&end
#
# 26 LEU QQD 27 VAL QQG 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 378, 379, 380, 382, 383, 384,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 27 VAL H 27 VAL HB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 27 VAL H 27 VAL QQG 2.87
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 27 VAL H 28 VAL H 3.49
&rst
ixpk= 0, nxpk= 0, iat= 388, 404, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 27 VAL H 28 VAL HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 388, 406, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 27 VAL H 28 VAL HB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 388, 408, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 27 VAL H 76 ALA QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1148,1149,1150,
&end
#
# 27 VAL HA 27 VAL QQG 3.11
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 27 VAL HA 29 LYS QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 433, 434,
&end
#
# 27 VAL HA 76 ALA QB 5.39
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1148,1149,1150,
&end
#
# 27 VAL HB 28 VAL H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 27 VAL HB 28 VAL HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 392, 406, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 27 VAL HB 76 ALA HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 392,1146, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 27 VAL HB 76 ALA QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1148,1149,1150,
&end
#
# 27 VAL QQG 29 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 394, 395, 396, 398, 399, 400,
igr2= 430, 431,
&end
#
# 27 VAL QQG 29 LYS QE 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 394, 395, 396, 398, 399, 400,
igr2= 433, 434,
&end
#
# 27 VAL QQG 76 ALA HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 394, 395, 396, 398, 399, 400,
&end
#
# 27 VAL QQG 76 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= 394, 395, 396, 398, 399, 400,
igr2=1148,1149,1150,
&end
#
# 28 VAL H 28 VAL HB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 28 VAL H 28 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 410, 411, 412,
&end
#
# 28 VAL H 28 VAL QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 414, 415, 416,
&end
#
# 28 VAL H 29 LYS H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 28 VAL H 76 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1148,1149,1150,
&end
#
# 28 VAL HA 28 VAL QG1 3.10
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 410, 411, 412,
&end
#
# 28 VAL HA 28 VAL QG2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 414, 415, 416,
&end
#
# 28 VAL HA 29 LYS H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 VAL HA 29 LYS HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 28 VAL HA 29 LYS HB3 5.43
&rst
ixpk= 0, nxpk= 0, iat= 406, 425, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 28 VAL HA 29 LYS HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 406, 427, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 28 VAL HA 29 LYS QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 430, 431,
&end
#
# 28 VAL HA 32 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HA 32 ASP HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 406, 479, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 28 VAL HA 32 ASP HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 406, 480, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 28 VAL HA 36 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 541, 542, 543,
&end
#
# 28 VAL HA 75 ILE QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1131,1132,1133,
&end
#
# 28 VAL HA 76 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1148,1149,1150,
&end
#
# 28 VAL HB 29 LYS H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 28 VAL HB 32 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 408, 479, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HB 32 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 408, 480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 VAL HB 76 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1148,1149,1150,
&end
#
# 28 VAL QG1 29 LYS H 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 410, 411, 412,
&end
#
# 28 VAL QG1 29 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 410, 411, 412,
&end
#
# 28 VAL QG1 29 LYS HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 410, 411, 412,
&end
#
# 28 VAL QG1 29 LYS HG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 410, 411, 412,
&end
#
# 28 VAL QG1 29 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 410, 411, 412,
igr2= 430, 431,
&end
#
# 28 VAL QG1 30 LYS H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 410, 411, 412,
&end
#
# 28 VAL QG1 32 ASP HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 410, 411, 412,
&end
#
# 28 VAL QG1 32 ASP HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 410, 411, 412,
&end
#
# 28 VAL QG1 33 VAL QQG 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 410, 411, 412,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 28 VAL QG1 48 VAL QQG 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 410, 411, 412,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 28 VAL QG1 53 ALA QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 410, 411, 412,
igr2= 800, 801, 802,
&end
#
# 28 VAL QG2 29 LYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 29 LYS HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 29 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 29 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 29 LYS HG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 29 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 414, 415, 416,
igr2= 430, 431,
&end
#
# 28 VAL QG2 29 LYS QE 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 414, 415, 416,
igr2= 433, 434,
&end
#
# 28 VAL QG2 30 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 32 ASP H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 32 ASP HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 32 ASP HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 32 ASP HB3 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 33 VAL H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 33 VAL HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 33 VAL HB 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 414, 415, 416,
&end
#
# 28 VAL QG2 33 VAL QQG 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1= 414, 415, 416,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 28 VAL QG2 76 ALA QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 414, 415, 416,
igr2=1148,1149,1150,
&end
#
# 28 VAL QG2 80 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 414, 415, 416,
&end
#
# 29 LYS H 29 LYS HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 29 LYS H 29 LYS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 29 LYS H 29 LYS HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 29 LYS H 29 LYS HG3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 29 LYS H 29 LYS QD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 430, 431,
&end
#
# 29 LYS H 29 LYS QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 433, 434,
&end
#
# 29 LYS H 32 ASP H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 420, 475, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 29 LYS H 32 ASP HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 420, 477, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 29 LYS H 32 ASP HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 420, 479, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 29 LYS H 32 ASP HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 420, 480, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 29 LYS H 33 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 420, 487, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 LYS H 48 VAL QQG 5.16
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HA 29 LYS HG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 29 LYS HA 29 LYS HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 422, 428, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 29 LYS HA 29 LYS QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 430, 431,
&end
#
# 29 LYS HA 29 LYS QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 433, 434,
&end
#
# 29 LYS HA 30 LYS H 3.10
&rst
ixpk= 0, nxpk= 0, iat= 422, 442, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 29 LYS HA 30 LYS HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 422, 444, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 29 LYS HA 30 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HA 31 SER H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 422, 464, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 29 LYS HA 32 ASP H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 422, 475, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 29 LYS HA 32 ASP HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 422, 479, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 29 LYS HA 48 VAL QQG 4.63
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HB2 29 LYS QD 3.78
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 430, 431,
&end
#
# 29 LYS HB2 29 LYS QE 4.80
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 433, 434,
&end
#
# 29 LYS HB2 30 LYS H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 424, 442, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 29 LYS HB2 30 LYS HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 424, 447, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 29 LYS HB2 31 SER H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 424, 464, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 29 LYS HB2 32 ASP H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 424, 475, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 29 LYS HB3 29 LYS QD 3.47
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 430, 431,
&end
#
# 29 LYS HB3 29 LYS QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 433, 434,
&end
#
# 29 LYS HB3 30 LYS H 3.29
&rst
ixpk= 0, nxpk= 0, iat= 425, 442, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 29 LYS HB3 31 SER H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 425, 464, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 29 LYS HB3 32 ASP H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 425, 475, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 29 LYS HG2 29 LYS QD 2.83
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 430, 431,
&end
#
# 29 LYS HG2 29 LYS QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 433, 434,
&end
#
# 29 LYS HG2 32 ASP H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 427, 475, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 29 LYS HG2 33 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 29 LYS HG2 48 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 29 LYS HG3 31 SER H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 428, 464, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 29 LYS HG3 31 SER QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 468, 469,
&end
#
# 29 LYS HG3 32 ASP H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 428, 475, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 29 LYS QD 29 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
#
# 29 LYS QD 32 ASP HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 430, 431,
&end
#
# 30 LYS H 30 LYS HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 442, 446, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 30 LYS H 30 LYS HG3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 442, 450, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 30 LYS H 30 LYS QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 452, 453,
&end
#
# 30 LYS H 31 SER H 3.89
&rst
ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 30 LYS H 31 SER HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 442, 466, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 30 LYS H 31 SER QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 468, 469,
&end
#
# 30 LYS H 32 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
#
# 30 LYS H 48 VAL QQG 4.09
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 30 LYS HA 30 LYS HG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 30 LYS HA 30 LYS HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 444, 450, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 30 LYS HA 30 LYS QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 452, 453,
&end
#
# 30 LYS HA 30 LYS QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 455, 456,
&end
#
# 30 LYS HA 32 ASP H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 444, 475, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 30 LYS HA 33 VAL H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 444, 487, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 30 LYS HA 33 VAL HB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 444, 491, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 30 LYS HA 33 VAL QQG 5.45
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 30 LYS HA 34 GLU QG 5.06
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 510, 511,
&end
#
# 30 LYS HA 48 VAL HB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 444, 718, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 30 LYS HA 48 VAL QQG 4.25
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 30 LYS HB2 30 LYS QE 4.99
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 455, 456,
&end
#
# 30 LYS HB2 31 SER H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 446, 464, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 30 LYS HB2 48 VAL QQG 3.53
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 30 LYS HB3 30 LYS QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 455, 456,
&end
#
# 30 LYS HB3 48 VAL QQG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 30 LYS HG2 30 LYS QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 455, 456,
&end
#
# 30 LYS HG2 34 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 510, 511,
&end
#
# 30 LYS HG2 48 VAL QQG 4.44
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 30 LYS HG3 30 LYS QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 455, 456,
&end
#
# 30 LYS HG3 31 SER H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 30 LYS HG3 31 SER HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 450, 466, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 30 LYS HG3 34 GLU QG 5.31
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 510, 511,
&end
#
# 30 LYS QD 34 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 452, 453,
igr2= 510, 511,
&end
#
# 30 LYS QD 47 SER HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 452, 453,
&end
#
# 30 LYS QD 48 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 452, 453,
&end
#
# 30 LYS QD 48 VAL QQG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 452, 453,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 30 LYS QE 34 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 455, 456,
&end
#
# 30 LYS QE 34 GLU QG 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= 510, 511,
&end
#
# 30 LYS QE 46 CYS H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 455, 456,
&end
#
# 30 LYS QE 46 CYS HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 455, 456,
&end
#
# 30 LYS QE 46 CYS QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 455, 456,
igr2= 696, 697,
&end
#
# 30 LYS QE 47 SER HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 455, 456,
&end
#
# 30 LYS QE 48 VAL H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 455, 456,
&end
#
# 30 LYS QE 48 VAL QQG 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 455, 456,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 31 SER H 31 SER QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 468, 469,
&end
#
# 31 SER H 32 ASP H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 31 SER H 32 ASP HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 464, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 31 SER H 32 ASP HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 464, 479, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 31 SER H 32 ASP HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 464, 480, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 31 SER H 33 VAL QQG 5.07
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 31 SER H 48 VAL QQG 5.39
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 31 SER HA 32 ASP HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 466, 477, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 31 SER HA 34 GLU H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 466, 503, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 31 SER HA 34 GLU QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 507, 508,
&end
#
# 31 SER HA 34 GLU QG 4.72
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 510, 511,
&end
#
# 31 SER HA 35 ALA H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 466, 518, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 31 SER HA 35 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 522, 523, 524,
&end
#
# 31 SER QB 32 ASP H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 468, 469,
&end
#
# 31 SER QB 32 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 468, 469,
&end
#
# 31 SER QB 35 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 468, 469,
igr2= 522, 523, 524,
&end
#
# 32 ASP H 32 ASP HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 475, 479, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 32 ASP H 32 ASP HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 475, 480, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 32 ASP H 33 VAL H 3.19
&rst
ixpk= 0, nxpk= 0, iat= 475, 487, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 32 ASP H 33 VAL HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 475, 489, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 32 ASP H 33 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 475, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP H 33 VAL QQG 4.15
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 32 ASP H 34 GLU H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 475, 503, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 32 ASP H 35 ALA H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 475, 518, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 32 ASP H 35 ALA QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 522, 523, 524,
&end
#
# 32 ASP H 36 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 541, 542, 543,
&end
#
# 32 ASP HA 33 VAL HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 477, 489, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 32 ASP HA 33 VAL QQG 5.09
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 32 ASP HA 34 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 477, 503, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 32 ASP HA 35 ALA H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 477, 518, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 32 ASP HA 35 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
#
# 32 ASP HA 35 ALA QB 2.86
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 522, 523, 524,
&end
#
# 32 ASP HA 36 ILE H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 477, 528, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 32 ASP HA 36 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 541, 542, 543,
&end
#
# 32 ASP HB2 33 VAL H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 32 ASP HB2 33 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 479, 491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HB2 33 VAL QQG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 32 ASP HB2 35 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 522, 523, 524,
&end
#
# 32 ASP HB2 36 ILE QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 541, 542, 543,
&end
#
# 32 ASP HB2 75 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1131,1132,1133,
&end
#
# 32 ASP HB3 33 VAL H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 32 ASP HB3 33 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 32 ASP HB3 35 ALA H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 480, 518, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 32 ASP HB3 35 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 522, 523, 524,
&end
#
# 32 ASP HB3 36 ILE QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 541, 542, 543,
&end
#
# 32 ASP HB3 48 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 33 VAL H 33 VAL HB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 33 VAL H 33 VAL QQG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL H 34 GLU H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 487, 503, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 33 VAL H 34 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
#
# 33 VAL H 35 ALA QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 522, 523, 524,
&end
#
# 33 VAL H 48 VAL QQG 4.09
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 33 VAL HA 33 VAL QQG 3.17
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL HA 34 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
#
# 33 VAL HA 35 ALA H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 489, 518, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 33 VAL HA 35 ALA QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 522, 523, 524,
&end
#
# 33 VAL HA 36 ILE H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 489, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 33 VAL HA 36 ILE HB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 489, 532, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 33 VAL HA 36 ILE HG12 5.24
&rst
ixpk= 0, nxpk= 0, iat= 489, 538, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 33 VAL HA 36 ILE HG13 4.98
&rst
ixpk= 0, nxpk= 0, iat= 489, 539, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 33 VAL HA 36 ILE QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 541, 542, 543,
&end
#
# 33 VAL HA 36 ILE QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 534, 535, 536,
&end
#
# 33 VAL HA 37 PHE HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 489, 551, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 33 VAL HA 37 PHE QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 555, 563,
&end
#
# 33 VAL HA 37 PHE QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 557, 561,
&end
#
# 33 VAL HA 43 ILE QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 663, 664, 665,
&end
#
# 33 VAL HA 48 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 33 VAL HA 55 VAL QQG 4.94
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 33 VAL HB 34 GLU H 3.16
&rst
ixpk= 0, nxpk= 0, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 33 VAL HB 37 PHE QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 555, 563,
&end
#
# 33 VAL HB 48 VAL QQG 4.79
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 33 VAL HB 55 VAL QQG 4.85
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 33 VAL QQG 34 GLU H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 34 GLU HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 34 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 510, 511,
&end
#
# 33 VAL QQG 35 ALA H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 36 ILE H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 36 ILE HB 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 36 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 541, 542, 543,
&end
#
# 33 VAL QQG 36 ILE QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 534, 535, 536,
&end
#
# 33 VAL QQG 37 PHE H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 37 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 37 PHE HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 37 PHE HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 37 PHE HZ 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 37 PHE QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 555, 563,
&end
#
# 33 VAL QQG 37 PHE QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 557, 561,
&end
#
# 33 VAL QQG 43 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 663, 664, 665,
&end
#
# 33 VAL QQG 46 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 696, 697,
&end
#
# 33 VAL QQG 48 VAL HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 48 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 48 VAL QQG 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 33 VAL QQG 53 ALA HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 53 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 800, 801, 802,
&end
#
# 33 VAL QQG 54 PHE H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 55 VAL HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 55 VAL HB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 493, 494, 495, 497, 498, 499,
&end
#
# 33 VAL QQG 55 VAL QQG 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 493, 494, 495, 497, 498, 499,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 33 VAL QQG 75 ILE QD1 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 493, 494, 495, 497, 498, 499,
igr2=1138,1139,1140,
&end
#
# 34 GLU H 34 GLU QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 507, 508,
&end
#
# 34 GLU H 34 GLU QG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 510, 511,
&end
#
# 34 GLU H 35 ALA H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 503, 518, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 34 GLU H 35 ALA HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 503, 520, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 34 GLU HA 34 GLU QG 4.25
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 510, 511,
&end
#
# 34 GLU HA 35 ALA HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 505, 520, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 34 GLU HA 35 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 522, 523, 524,
&end
#
# 34 GLU HA 37 PHE HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 505, 551, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 34 GLU HA 37 PHE QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 555, 563,
&end
#
# 34 GLU HA 38 SER H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 505, 567, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 34 GLU HA 38 SER HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 505, 571, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 34 GLU HA 38 SER HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 505, 572, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 34 GLU HA 43 ILE HB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 505, 654, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 34 GLU HA 43 ILE HG13 5.42
&rst
ixpk= 0, nxpk= 0, iat= 505, 661, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 34 GLU HA 43 ILE QD1 3.01
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 663, 664, 665,
&end
#
# 34 GLU HA 43 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
#
# 34 GLU HA 46 CYS QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 696, 697,
&end
#
# 34 GLU HA 55 VAL QQG 5.48
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 34 GLU QB 35 ALA H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 507, 508,
&end
#
# 34 GLU QB 35 ALA HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 507, 508,
&end
#
# 34 GLU QB 35 ALA QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 507, 508,
igr2= 522, 523, 524,
&end
#
# 34 GLU QB 43 ILE QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 507, 508,
igr2= 663, 664, 665,
&end
#
# 34 GLU QB 43 ILE QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 507, 508,
igr2= 656, 657, 658,
&end
#
# 34 GLU QG 35 ALA H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 510, 511,
&end
#
# 34 GLU QG 35 ALA QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 510, 511,
igr2= 522, 523, 524,
&end
#
# 34 GLU QG 43 ILE QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 510, 511,
igr2= 663, 664, 665,
&end
#
# 34 GLU QG 43 ILE QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 510, 511,
igr2= 656, 657, 658,
&end
#
# 34 GLU QG 46 CYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 510, 511,
igr2= 696, 697,
&end
#
# 34 GLU QG 48 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= 510, 511,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 35 ALA H 35 ALA QB 2.41
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,
igr2= 522, 523, 524,
&end
#
# 35 ALA H 36 ILE HG13 4.08
&rst
ixpk= 0, nxpk= 0, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 35 ALA H 36 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 541, 542, 543,
&end
#
# 35 ALA H 43 ILE QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 663, 664, 665,
&end
#
# 35 ALA HA 37 PHE H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 520, 547, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 35 ALA HA 38 SER HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat= 520, 572, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 35 ALA QB 36 ILE H 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 522, 523, 524,
&end
#
# 35 ALA QB 36 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
#
# 35 ALA QB 36 ILE HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 522, 523, 524,
&end
#
# 35 ALA QB 36 ILE HG13 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 522, 523, 524,
&end
#
# 35 ALA QB 36 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 522, 523, 524,
igr2= 541, 542, 543,
&end
#
# 35 ALA QB 36 ILE QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 522, 523, 524,
igr2= 534, 535, 536,
&end
#
# 35 ALA QB 37 PHE H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 522, 523, 524,
&end
#
# 35 ALA QB 38 SER H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 522, 523, 524,
&end
#
# 36 ILE H 36 ILE HB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 36 ILE H 36 ILE HG12 4.39
&rst
ixpk= 0, nxpk= 0, iat= 528, 538, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 36 ILE H 36 ILE HG13 3.26
&rst
ixpk= 0, nxpk= 0, iat= 528, 539, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 36 ILE H 36 ILE QD1 3.47
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 541, 542, 543,
&end
#
# 36 ILE H 36 ILE QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 534, 535, 536,
&end
#
# 36 ILE H 37 PHE H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 528, 547, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 36 ILE H 37 PHE HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 528, 549, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 36 ILE H 37 PHE HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 528, 551, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 36 ILE H 37 PHE QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 555, 563,
&end
#
# 36 ILE H 37 PHE QE 5.35
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 557, 561,
&end
#
# 36 ILE H 38 SER H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 528, 567, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 36 ILE HA 36 ILE HG12 3.51
&rst
ixpk= 0, nxpk= 0, iat= 530, 538, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 36 ILE HA 36 ILE HG13 3.24
&rst
ixpk= 0, nxpk= 0, iat= 530, 539, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 36 ILE HA 36 ILE QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 541, 542, 543,
&end
#
# 36 ILE HA 36 ILE QG2 2.92
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 534, 535, 536,
&end
#
# 36 ILE HA 37 PHE QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 555, 563,
&end
#
# 36 ILE HA 37 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 557, 561,
&end
#
# 36 ILE HA 39 LYS QD 4.68
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 588, 589,
&end
#
# 36 ILE HA 39 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
#
# 36 ILE HA 39 LYS QG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 585, 586,
&end
#
# 36 ILE HA 75 ILE QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1138,1139,1140,
&end
#
# 36 ILE HB 36 ILE QD1 2.94
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 541, 542, 543,
&end
#
# 36 ILE HB 37 PHE H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 532, 547, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 36 ILE HB 37 PHE HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 532, 551, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 36 ILE HB 37 PHE HZ 5.49
&rst
ixpk= 0, nxpk= 0, iat= 532, 559, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 36 ILE HB 37 PHE QD 3.44
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 555, 563,
&end
#
# 36 ILE HB 37 PHE QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 557, 561,
&end
#
# 36 ILE HG12 37 PHE QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 555, 563,
&end
#
# 36 ILE QD1 37 PHE QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 541, 542, 543,
igr2= 555, 563,
&end
#
# 36 ILE QD1 37 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= 541, 542, 543,
igr2= 557, 561,
&end
#
# 36 ILE QD1 73 ARG HD3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 541, 542, 543,
&end
#
# 36 ILE QD1 75 ILE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 541, 542, 543,
&end
#
# 36 ILE QD1 75 ILE HG12 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 541, 542, 543,
&end
#
# 36 ILE QD1 75 ILE HG13 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 541, 542, 543,
&end
#
# 36 ILE QD1 75 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= 541, 542, 543,
igr2=1138,1139,1140,
&end
#
# 36 ILE QD1 75 ILE QG2 2.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 541, 542, 543,
igr2=1131,1132,1133,
&end
#
# 36 ILE QD1 76 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 541, 542, 543,
&end
#
# 36 ILE QG2 36 ILE HG12 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 36 ILE HG13 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 36 ILE QD1 2.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 534, 535, 536,
igr2= 541, 542, 543,
&end
#
# 36 ILE QG2 37 PHE H 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 37 PHE HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 37 PHE HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 37 PHE HZ 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 37 PHE QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 534, 535, 536,
igr2= 555, 563,
&end
#
# 36 ILE QG2 37 PHE QE 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 534, 535, 536,
igr2= 557, 561,
&end
#
# 36 ILE QG2 38 SER H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 39 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 39 LYS QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 534, 535, 536,
igr2= 588, 589,
&end
#
# 36 ILE QG2 39 LYS QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 534, 535, 536,
igr2= 591, 592,
&end
#
# 36 ILE QG2 40 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= 534, 535, 536,
igr2= 610, 615,
&end
#
# 36 ILE QG2 66 ALA QB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 534, 535, 536,
igr2=1011,1012,1013,
&end
#
# 36 ILE QG2 70 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 70 GLU QB 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=1054,1055,
&end
#
# 36 ILE QG2 70 GLU QG 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 534, 535, 536,
igr2=1057,1058,
&end
#
# 36 ILE QG2 73 ARG HD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 73 ARG HD3 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 73 ARG HE 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 73 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 75 ILE HG12 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 75 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 534, 535, 536,
&end
#
# 36 ILE QG2 75 ILE QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 534, 535, 536,
igr2=1138,1139,1140,
&end
#
# 36 ILE QG2 75 ILE QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 534, 535, 536,
igr2=1131,1132,1133,
&end
#
# 36 ILE QG2 80 LEU QQD 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 534, 535, 536,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 36 ILE QG2 82 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 534, 535, 536,
igr2=1238,1239,1240,
&end
#
# 37 PHE H 37 PHE HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 37 PHE H 37 PHE HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 37 PHE H 37 PHE QD 3.22
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 555, 563,
&end
#
# 37 PHE H 37 PHE QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 557, 561,
&end
#
# 37 PHE H 38 SER H 3.82
&rst
ixpk= 0, nxpk= 0, iat= 547, 567, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 37 PHE H 38 SER HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 547, 571, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 37 PHE H 38 SER HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 547, 572, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 37 PHE H 39 LYS H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 547, 578, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 37 PHE H 43 ILE QD1 3.51
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 663, 664, 665,
&end
#
# 37 PHE H 55 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 37 PHE HA 37 PHE QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 555, 563,
&end
#
# 37 PHE HA 37 PHE QE 4.80
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 557, 561,
&end
#
# 37 PHE HA 39 LYS H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 549, 578, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 37 PHE HA 39 LYS QG 5.23
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 585, 586,
&end
#
# 37 PHE HA 40 TYR H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 549, 600, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 37 PHE HA 40 TYR HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 549, 604, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 37 PHE HA 40 TYR HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 549, 605, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 37 PHE HA 40 TYR QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 608, 617,
&end
#
# 37 PHE HA 43 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 663, 664, 665,
&end
#
# 37 PHE HA 55 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 37 PHE HA 57 TYR QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 869, 874,
&end
#
# 37 PHE HA 66 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 549,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PHE HA 66 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1011,1012,1013,
&end
#
# 37 PHE HA 70 GLU QG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1057,1058,
&end
#
# 37 PHE HB2 38 SER H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 551, 567, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 37 PHE HB2 38 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 551, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PHE HB2 43 ILE QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 663, 664, 665,
&end
#
# 37 PHE HB2 55 VAL QQG 3.63
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 37 PHE HB2 66 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1011,1012,1013,
&end
#
# 37 PHE HB3 38 SER H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 37 PHE HB3 38 SER HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 552, 569, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 37 PHE HB3 39 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
#
# 37 PHE HB3 40 TYR H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 552, 600, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 37 PHE HB3 43 ILE HG12 5.17
&rst
ixpk= 0, nxpk= 0, iat= 552, 660, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 37 PHE HB3 43 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PHE HB3 43 ILE QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 663, 664, 665,
&end
#
# 37 PHE HB3 55 VAL HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 552, 830, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 37 PHE HB3 55 VAL QQG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 37 PHE HB3 57 TYR QD 5.26
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 867, 876,
&end
#
# 37 PHE HB3 57 TYR QE 4.81
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 869, 874,
&end
#
# 37 PHE HB3 66 ALA QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1011,1012,1013,
&end
#
# 37 PHE HZ 55 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 37 PHE HZ 66 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1011,1012,1013,
&end
#
# 37 PHE HZ 70 GLU QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1054,1055,
&end
#
# 37 PHE HZ 70 GLU QG 5.14
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1057,1058,
&end
#
# 37 PHE HZ 75 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1138,1139,1140,
&end
#
# 37 PHE HZ 80 LEU HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 559,1199, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 37 PHE HZ 80 LEU QQD 5.48
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 37 PHE HZ 82 ILE QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1238,1239,1240,
&end
#
# 37 PHE HZ 82 ILE QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1235,1236,
&end
#
# 37 PHE HZ 82 ILE QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1231,1232,1233,
&end
#
# 37 PHE QD 37 PHE HZ 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 555, 563,
&end
#
# 37 PHE QD 38 SER H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 555, 563,
&end
#
# 37 PHE QD 40 TYR HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 555, 563,
&end
#
# 37 PHE QD 40 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 563,
&end
#
# 37 PHE QD 43 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 555, 563,
igr2= 663, 664, 665,
&end
#
# 37 PHE QD 55 VAL HB 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 555, 563,
&end
#
# 37 PHE QD 55 VAL QQG 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 555, 563,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 37 PHE QD 57 TYR QE 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 555, 563,
igr2= 869, 874,
&end
#
# 37 PHE QD 66 ALA H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 555, 563,
&end
#
# 37 PHE QD 66 ALA HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 555, 563,
&end
#
# 37 PHE QD 66 ALA QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 555, 563,
igr2=1011,1012,1013,
&end
#
# 37 PHE QD 70 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 555, 563,
igr2=1054,1055,
&end
#
# 37 PHE QD 70 GLU QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 555, 563,
igr2=1057,1058,
&end
#
# 37 PHE QD 75 ILE QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 555, 563,
igr2=1138,1139,1140,
&end
#
# 37 PHE QD 82 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 555, 563,
igr2=1238,1239,1240,
&end
#
# 37 PHE QD 82 ILE QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 555, 563,
igr2=1231,1232,1233,
&end
#
# 37 PHE QE 43 ILE QD1 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 557, 561,
igr2= 663, 664, 665,
&end
#
# 37 PHE QE 55 VAL QQG 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 557, 561,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 37 PHE QE 66 ALA HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 557, 561,
&end
#
# 37 PHE QE 66 ALA QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 557, 561,
igr2=1011,1012,1013,
&end
#
# 37 PHE QE 67 VAL H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 557, 561,
&end
#
# 37 PHE QE 70 GLU QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 557, 561,
igr2=1054,1055,
&end
#
# 37 PHE QE 70 GLU QG 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 557, 561,
igr2=1057,1058,
&end
#
# 37 PHE QE 71 ASP HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 557, 561,
&end
#
# 37 PHE QE 75 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 557, 561,
igr2=1138,1139,1140,
&end
#
# 37 PHE QE 80 LEU HG 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 557, 561,
&end
#
# 37 PHE QE 80 LEU QQD 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 557, 561,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 37 PHE QE 82 ILE QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 557, 561,
igr2=1238,1239,1240,
&end
#
# 37 PHE QE 82 ILE QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 557, 561,
igr2=1231,1232,1233,
&end
#
# 38 SER H 38 SER HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 567, 571, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 38 SER H 38 SER HB3 3.13
&rst
ixpk= 0, nxpk= 0, iat= 567, 572, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 38 SER H 39 LYS H 3.32
&rst
ixpk= 0, nxpk= 0, iat= 567, 578, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 38 SER H 39 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 585, 586,
&end
#
# 38 SER H 40 TYR H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 567, 600, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 38 SER H 43 ILE QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 663, 664, 665,
&end
#
# 38 SER H 57 TYR QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 869, 874,
&end
#
# 38 SER HA 40 TYR H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 569, 600, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 38 SER HA 41 GLY H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 569, 621, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 38 SER HA 43 ILE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 569, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 SER HA 43 ILE HB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 569, 654, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 38 SER HA 43 ILE HG12 5.04
&rst
ixpk= 0, nxpk= 0, iat= 569, 660, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 38 SER HA 43 ILE HG13 4.15
&rst
ixpk= 0, nxpk= 0, iat= 569, 661, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 38 SER HA 43 ILE QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 663, 664, 665,
&end
#
# 38 SER HA 43 ILE QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 656, 657, 658,
&end
#
# 38 SER HA 57 TYR QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 869, 874,
&end
#
# 38 SER HB2 39 LYS H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 571, 578, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 38 SER HB2 43 ILE QD1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 663, 664, 665,
&end
#
# 38 SER HB2 43 ILE QG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 656, 657, 658,
&end
#
# 38 SER HB2 55 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 38 SER HB3 39 LYS H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 572, 578, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 38 SER HB3 43 ILE HG13 4.82
&rst
ixpk= 0, nxpk= 0, iat= 572, 661, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 38 SER HB3 43 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 663, 664, 665,
&end
#
# 39 LYS H 39 LYS HA 2.91
&rst
ixpk= 0, nxpk= 0, iat= 578, 580, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 39 LYS H 39 LYS QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 582, 583,
&end
#
# 39 LYS H 39 LYS QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 588, 589,
&end
#
# 39 LYS H 39 LYS QE 4.79
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 591, 592,
&end
#
# 39 LYS H 39 LYS QG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 585, 586,
&end
#
# 39 LYS H 40 TYR HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 578, 602, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 39 LYS H 40 TYR HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 578, 604, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 39 LYS H 41 GLY H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 578, 621, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 39 LYS H 43 ILE QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 663, 664, 665,
&end
#
# 39 LYS HA 39 LYS QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 582, 583,
&end
#
# 39 LYS HA 39 LYS QD 4.29
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 588, 589,
&end
#
# 39 LYS HA 39 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 591, 592,
&end
#
# 39 LYS HA 39 LYS QG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 585, 586,
&end
#
# 39 LYS QB 39 LYS QD 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 582, 583,
igr2= 588, 589,
&end
#
# 39 LYS QB 39 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 582, 583,
igr2= 591, 592,
&end
#
# 39 LYS QB 40 TYR H 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 582, 583,
&end
#
# 39 LYS QB 40 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 582, 583,
&end
#
# 39 LYS QB 40 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= 582, 583,
igr2= 610, 615,
&end
#
# 39 LYS QB 41 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 582, 583,
&end
#
# 39 LYS QD 39 LYS QE 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 588, 589,
igr2= 591, 592,
&end
#
# 39 LYS QD 40 TYR H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 588, 589,
&end
#
# 39 LYS QD 40 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 588, 589,
&end
#
# 39 LYS QD 40 TYR QE 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 588, 589,
igr2= 610, 615,
&end
#
# 39 LYS QE 40 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 591, 592,
&end
#
# 39 LYS QE 40 TYR QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 591, 592,
igr2= 610, 615,
&end
#
# 39 LYS QE 70 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 591, 592,
igr2=1057,1058,
&end
#
# 39 LYS QG 39 LYS QD 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 585, 586,
igr2= 588, 589,
&end
#
# 39 LYS QG 39 LYS QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 585, 586,
igr2= 591, 592,
&end
#
# 39 LYS QG 40 TYR H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 585, 586,
&end
#
# 39 LYS QG 40 TYR HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 585, 586,
&end
#
# 39 LYS QG 40 TYR QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 585, 586,
igr2= 608, 617,
&end
#
# 39 LYS QG 40 TYR QE 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 585, 586,
igr2= 610, 615,
&end
#
# 40 TYR H 40 TYR HB2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 40 TYR H 40 TYR HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 40 TYR H 41 GLY H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 600, 621, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 40 TYR HA 40 TYR QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 610, 615,
&end
#
# 40 TYR HA 41 GLY H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 602, 621, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 40 TYR HA 65 ALA QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1001,1002,1003,
&end
#
# 40 TYR HA 66 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 602,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 TYR HA 66 ALA QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1011,1012,1013,
&end
#
# 40 TYR HB2 41 GLY H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 604, 621, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 40 TYR HB2 57 TYR QE 5.23
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 869, 874,
&end
#
# 40 TYR HB2 65 ALA QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1001,1002,1003,
&end
#
# 40 TYR HB2 66 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 604,1007, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 40 TYR HB2 66 ALA HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 604,1009, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 40 TYR HB2 66 ALA QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1011,1012,1013,
&end
#
# 40 TYR HB3 41 GLY H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 605, 621, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 40 TYR HB3 57 TYR QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 869, 874,
&end
#
# 40 TYR HB3 65 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 605, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 TYR HB3 65 ALA HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 605, 999, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 40 TYR HB3 65 ALA QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1001,1002,1003,
&end
#
# 40 TYR HB3 66 ALA H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 605,1007, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 40 TYR HB3 66 ALA HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= 605,1009, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 40 TYR HB3 66 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1011,1012,1013,
&end
#
# 40 TYR HB3 70 GLU QG 5.10
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1057,1058,
&end
#
# 40 TYR QD 65 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 608, 617,
igr2=1001,1002,1003,
&end
#
# 40 TYR QE 66 ALA HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 610, 615,
&end
#
# 40 TYR QE 69 GLY H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 610, 615,
&end
#
# 40 TYR QE 69 GLY HA2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 610, 615,
&end
#
# 40 TYR QE 69 GLY HA3 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 610, 615,
&end
#
# 40 TYR QE 70 GLU H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 610, 615,
&end
#
# 40 TYR QE 70 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 610, 615,
igr2=1054,1055,
&end
#
# 40 TYR QE 70 GLU QG 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 610, 615,
igr2=1057,1058,
&end
#
# 41 GLY H 42 LYS H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 621, 628, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 41 GLY H 57 TYR QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 869, 874,
&end
#
# 41 GLY H 65 ALA QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1001,1002,1003,
&end
#
# 41 GLY HA2 42 LYS H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 623, 628, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 41 GLY HA2 42 LYS HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 623, 630, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 41 GLY HA2 42 LYS HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 623, 632, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 41 GLY HA2 57 TYR QD 5.33
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 867, 876,
&end
#
# 41 GLY HA2 57 TYR QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 869, 874,
&end
#
# 41 GLY HA2 62 ASN HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 623, 951, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 41 GLY HA2 62 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 623, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLY HA2 62 ASN HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 623, 954, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 41 GLY HA2 62 ASN HD22 4.15
&rst
ixpk= 0, nxpk= 0, iat= 623, 958, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 41 GLY HA3 42 LYS H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 41 GLY HA3 57 TYR QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 867, 876,
&end
#
# 41 GLY HA3 57 TYR QE 4.73
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 869, 874,
&end
#
# 41 GLY HA3 62 ASN HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 624, 953, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 41 GLY HA3 62 ASN HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 624, 954, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 41 GLY HA3 62 ASN HD22 5.04
&rst
ixpk= 0, nxpk= 0, iat= 624, 958, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 42 LYS H 42 LYS HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 42 LYS H 42 LYS HB3 2.88
&rst
ixpk= 0, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 42 LYS H 42 LYS HG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 42 LYS H 42 LYS HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 628, 636, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 42 LYS H 42 LYS QD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 638, 639,
&end
#
# 42 LYS H 42 LYS QE 5.70
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 641, 642,
&end
#
# 42 LYS H 43 ILE H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 628, 650, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 42 LYS H 57 TYR QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 867, 876,
&end
#
# 42 LYS H 57 TYR QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 869, 874,
&end
#
# 42 LYS H 58 VAL H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 628, 880, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 42 LYS H 58 VAL QQG 4.94
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 LYS H 62 ASN HD22 4.58
&rst
ixpk= 0, nxpk= 0, iat= 628, 958, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 42 LYS HA 42 LYS HB2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 42 LYS HA 42 LYS HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 42 LYS HA 42 LYS HG3 3.34
&rst
ixpk= 0, nxpk= 0, iat= 630, 636, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 42 LYS HA 42 LYS QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 638, 639,
&end
#
# 42 LYS HA 43 ILE H 2.72
&rst
ixpk= 0, nxpk= 0, iat= 630, 650, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 42 LYS HA 43 ILE HB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 630, 654, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 42 LYS HA 43 ILE HG13 4.69
&rst
ixpk= 0, nxpk= 0, iat= 630, 661, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 42 LYS HA 58 VAL QQG 5.13
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 LYS HB2 42 LYS QD 2.84
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 638, 639,
&end
#
# 42 LYS HB2 42 LYS QE 4.17
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 641, 642,
&end
#
# 42 LYS HB2 58 VAL QQG 4.14
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 LYS HB3 43 ILE H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 633, 650, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 42 LYS HB3 58 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 633, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 LYS HB3 58 VAL HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 633, 884, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 42 LYS HB3 58 VAL QQG 3.11
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 LYS HG2 42 LYS QE 3.27
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 641, 642,
&end
#
# 42 LYS HG2 44 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 675, 676, 677,
&end
#
# 42 LYS HG2 44 VAL QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 679, 680, 681,
&end
#
# 42 LYS HG2 58 VAL QQG 3.40
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 LYS HG3 43 ILE H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 636, 650, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 42 LYS HG3 44 VAL HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 636, 671, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 42 LYS HG3 44 VAL QG1 2.84
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 675, 676, 677,
&end
#
# 42 LYS HG3 44 VAL QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 679, 680, 681,
&end
#
# 42 LYS HG3 57 TYR HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 636, 861, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 42 LYS HG3 58 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 636, 880, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 42 LYS HG3 58 VAL QQG 3.41
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 LYS QD 42 LYS QE 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 638, 639,
igr2= 641, 642,
&end
#
# 42 LYS QD 43 ILE H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 638, 639,
&end
#
# 42 LYS QD 44 VAL QG1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 638, 639,
igr2= 675, 676, 677,
&end
#
# 42 LYS QD 58 VAL QQG 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 638, 639,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 42 LYS QE 43 ILE H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 641, 642,
&end
#
# 42 LYS QE 43 ILE HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 641, 642,
&end
#
# 42 LYS QE 44 VAL H 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 641, 642,
&end
#
# 42 LYS QE 44 VAL HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 641, 642,
&end
#
# 42 LYS QE 44 VAL HB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 641, 642,
&end
#
# 42 LYS QE 44 VAL QG1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 641, 642,
igr2= 675, 676, 677,
&end
#
# 42 LYS QE 44 VAL QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 641, 642,
igr2= 679, 680, 681,
&end
#
# 42 LYS QE 58 VAL QQG 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 641, 642,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 43 ILE H 43 ILE HB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 43 ILE H 43 ILE HG12 4.07
&rst
ixpk= 0, nxpk= 0, iat= 650, 660, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 43 ILE H 43 ILE HG13 4.15
&rst
ixpk= 0, nxpk= 0, iat= 650, 661, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 43 ILE H 43 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 663, 664, 665,
&end
#
# 43 ILE H 43 ILE QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 656, 657, 658,
&end
#
# 43 ILE H 44 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
#
# 43 ILE H 45 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 650, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ILE H 55 VAL QQG 5.11
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 43 ILE H 57 TYR HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 650, 861, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 43 ILE H 57 TYR QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 867, 876,
&end
#
# 43 ILE H 57 TYR QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 869, 874,
&end
#
# 43 ILE H 58 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
#
# 43 ILE HA 43 ILE HG12 4.13
&rst
ixpk= 0, nxpk= 0, iat= 652, 660, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 43 ILE HA 43 ILE HG13 3.83
&rst
ixpk= 0, nxpk= 0, iat= 652, 661, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 43 ILE HA 43 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 663, 664, 665,
&end
#
# 43 ILE HA 43 ILE QG2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 656, 657, 658,
&end
#
# 43 ILE HA 44 VAL H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 652, 669, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 43 ILE HA 44 VAL HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 652, 671, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 43 ILE HA 44 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 675, 676, 677,
&end
#
# 43 ILE HA 44 VAL QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 679, 680, 681,
&end
#
# 43 ILE HA 45 GLY H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 652, 685, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 43 ILE HA 55 VAL QQG 3.86
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 43 ILE HA 57 TYR HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= 652, 861, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 43 ILE HA 57 TYR QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 867, 876,
&end
#
# 43 ILE HA 57 TYR QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 869, 874,
&end
#
# 43 ILE HB 43 ILE QD1 3.03
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 663, 664, 665,
&end
#
# 43 ILE HB 44 VAL H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 654, 669, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 43 ILE HB 44 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 654, 671, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 ILE HB 46 CYS QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 696, 697,
&end
#
# 43 ILE HB 55 VAL QQG 5.20
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 43 ILE HB 57 TYR HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 654, 861, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 43 ILE HB 57 TYR QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 869, 874,
&end
#
# 43 ILE HG12 44 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 660, 669, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 43 ILE HG12 55 VAL QQG 3.88
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 43 ILE HG12 57 TYR QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 867, 876,
&end
#
# 43 ILE HG12 57 TYR QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 869, 874,
&end
#
# 43 ILE HG13 44 VAL H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 661, 669, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 43 ILE HG13 55 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 43 ILE HG13 57 TYR HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 661, 861, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 43 ILE HG13 57 TYR QD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 867, 876,
&end
#
# 43 ILE HG13 57 TYR QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 869, 874,
&end
#
# 43 ILE QD1 45 GLY H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 663, 664, 665,
&end
#
# 43 ILE QD1 46 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
#
# 43 ILE QD1 46 CYS QB 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 663, 664, 665,
igr2= 696, 697,
&end
#
# 43 ILE QD1 55 VAL HB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 663, 664, 665,
&end
#
# 43 ILE QD1 55 VAL QQG 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 663, 664, 665,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 43 ILE QD1 57 TYR HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 663, 664, 665,
&end
#
# 43 ILE QD1 57 TYR QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 663, 664, 665,
igr2= 867, 876,
&end
#
# 43 ILE QD1 57 TYR QE 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 663, 664, 665,
igr2= 869, 874,
&end
#
# 43 ILE QG2 43 ILE HG12 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 43 ILE HG13 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 43 ILE QD1 2.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 656, 657, 658,
igr2= 663, 664, 665,
&end
#
# 43 ILE QG2 44 VAL H 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 44 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= 656, 657, 658,
&end
#
# 43 ILE QG2 44 VAL HB 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 44 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 656, 657, 658,
igr2= 675, 676, 677,
&end
#
# 43 ILE QG2 45 GLY H 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 45 GLY HA2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 45 GLY HA3 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 46 CYS H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 46 CYS HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 46 CYS QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 656, 657, 658,
igr2= 696, 697,
&end
#
# 43 ILE QG2 55 VAL HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 55 VAL HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 55 VAL QQG 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 656, 657, 658,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 43 ILE QG2 56 GLN H 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 57 TYR HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 656, 657, 658,
&end
#
# 43 ILE QG2 57 TYR QD 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 656, 657, 658,
igr2= 867, 876,
&end
#
# 43 ILE QG2 57 TYR QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 656, 657, 658,
igr2= 869, 874,
&end
#
# 44 VAL H 44 VAL HB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 44 VAL H 44 VAL QG1 3.25
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 675, 676, 677,
&end
#
# 44 VAL H 44 VAL QG2 2.84
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 679, 680, 681,
&end
#
# 44 VAL H 45 GLY H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 669, 685, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 44 VAL H 45 GLY HA3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 669, 688, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 44 VAL H 55 VAL QQG 4.46
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 44 VAL H 57 TYR HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= 669, 861, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 44 VAL H 57 TYR QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 867, 876,
&end
#
# 44 VAL H 58 VAL HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 669, 882, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 44 VAL H 58 VAL QQG 5.03
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 44 VAL HA 44 VAL QG1 2.69
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 675, 676, 677,
&end
#
# 44 VAL HA 44 VAL QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 679, 680, 681,
&end
#
# 44 VAL HA 58 VAL QQG 4.62
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 44 VAL HB 45 GLY HA3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 673, 688, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 44 VAL HB 58 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 673, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HB 58 VAL QQG 4.33
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 44 VAL QG1 45 GLY H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 675, 676, 677,
&end
#
# 44 VAL QG1 57 TYR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 675, 676, 677,
&end
#
# 44 VAL QG1 57 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 675, 676, 677,
&end
#
# 44 VAL QG1 57 TYR QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 675, 676, 677,
igr2= 867, 876,
&end
#
# 44 VAL QG1 58 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 675, 676, 677,
&end
#
# 44 VAL QG1 58 VAL HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 675, 676, 677,
&end
#
# 44 VAL QG1 58 VAL HB 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 675, 676, 677,
&end
#
# 44 VAL QG1 58 VAL QQG 2.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 675, 676, 677,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 44 VAL QG2 45 GLY H 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 45 GLY HA2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 45 GLY HA3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 55 VAL QQG 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 679, 680, 681,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 44 VAL QG2 56 GLN H 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 56 GLN HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 56 GLN HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 56 GLN HE21 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 56 GLN QG 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 679, 680, 681,
igr2= 849, 850,
&end
#
# 44 VAL QG2 57 TYR H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 57 TYR HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 57 TYR HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 57 TYR HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 57 TYR QD 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 679, 680, 681,
igr2= 867, 876,
&end
#
# 44 VAL QG2 58 VAL H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 58 VAL HA 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 58 VAL HB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 679, 680, 681,
&end
#
# 44 VAL QG2 58 VAL QQG 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 679, 680, 681,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 44 VAL QG2 59 ASN H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 679, 680, 681,
&end
#
# 45 GLY H 46 CYS H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 685, 692, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 45 GLY H 46 CYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 45 GLY H 55 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 685, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLY H 55 VAL QQG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 45 GLY H 56 GLN H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 685, 842, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 45 GLY H 56 GLN HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 685, 846, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 45 GLY H 56 GLN HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 685, 847, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 45 GLY H 56 GLN QG 5.21
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 849, 850,
&end
#
# 45 GLY H 57 TYR HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= 685, 861, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 45 GLY H 57 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 867, 876,
&end
#
# 45 GLY HA2 46 CYS H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 687, 692, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 45 GLY HA2 56 GLN HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 687, 847, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 45 GLY HA3 56 GLN H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 688, 842, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 45 GLY HA3 56 GLN HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 688, 846, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 45 GLY HA3 56 GLN HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 688, 847, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 46 CYS H 47 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 692, 703, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 46 CYS H 55 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 CYS H 56 GLN H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 692, 842, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 46 CYS H 56 GLN HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 692, 847, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 46 CYS HA 47 SER H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 694, 703, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 46 CYS HA 54 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
#
# 46 CYS HA 55 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 694, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 CYS HA 55 VAL HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= 694, 828, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 46 CYS HA 55 VAL QQG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 46 CYS HA 56 GLN H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 694, 842, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 46 CYS HA 56 GLN HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 694, 847, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 46 CYS QB 47 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 696, 697,
&end
#
# 46 CYS QB 47 SER HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 696, 697,
&end
#
# 46 CYS QB 48 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= 696, 697,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 46 CYS QB 55 VAL HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 696, 697,
&end
#
# 46 CYS QB 55 VAL QQG 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 696, 697,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 46 CYS QB 56 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 696, 697,
&end
#
# 47 SER H 53 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 800, 801, 802,
&end
#
# 47 SER H 54 PHE H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 703, 806, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 47 SER H 54 PHE HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 703, 808, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 47 SER H 55 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= 832, 833, 834, 836, 837, 838,
&end
#
# 47 SER H 56 GLN H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 703, 842, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 47 SER HA 48 VAL H 2.89
&rst
ixpk= 0, nxpk= 0, iat= 705, 714, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 47 SER HA 48 VAL HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 705, 716, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 47 SER HA 48 VAL HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 705, 718, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 47 SER HA 48 VAL QQG 4.35
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 47 SER QB 48 VAL H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 707, 708,
&end
#
# 47 SER QB 49 HIS HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 707, 708,
&end
#
# 48 VAL H 48 VAL HB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 48 VAL H 48 VAL QQG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 48 VAL H 49 HIS H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 714, 730, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 48 VAL H 49 HIS HD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 714, 743, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 48 VAL H 53 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 800, 801, 802,
&end
#
# 48 VAL H 54 PHE H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 714, 806, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 48 VAL HA 48 VAL QQG 3.36
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 720, 721, 722, 724, 725, 726,
&end
#
# 48 VAL HA 49 HIS H 3.47
&rst
ixpk= 0, nxpk= 0, iat= 716, 730, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 48 VAL HA 49 HIS HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 716, 732, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 48 VAL HA 49 HIS HD2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 716, 743, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 48 VAL HA 49 HIS QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 734, 735,
&end
#
# 48 VAL HA 53 ALA HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= 716, 798, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 48 VAL HA 53 ALA QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 800, 801, 802,
&end
#
# 48 VAL HA 54 PHE H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 716, 806, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 48 VAL HB 49 HIS H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 718, 730, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 48 VAL HB 53 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 800, 801, 802,
&end
#
# 48 VAL HB 54 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 718, 806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL QQG 49 HIS H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 48 VAL QQG 49 HIS HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 48 VAL QQG 49 HIS HD2 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 48 VAL QQG 52 PHE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 48 VAL QQG 53 ALA H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 48 VAL QQG 53 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 720, 721, 722, 724, 725, 726,
&end
#
# 48 VAL QQG 53 ALA QB 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 720, 721, 722, 724, 725, 726,
igr2= 800, 801, 802,
&end
#
# 48 VAL QQG 54 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 VAL QQG 55 VAL QQG 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1= 720, 721, 722, 724, 725, 726,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 49 HIS H 49 HIS HD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 730, 743, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 HIS H 49 HIS QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 734, 735,
&end
#
# 49 HIS H 52 PHE H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 730, 776, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 49 HIS H 53 ALA HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= 730, 798, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 49 HIS H 53 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 800, 801, 802,
&end
#
# 49 HIS H 54 PHE H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 730, 806, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 49 HIS HA 49 HIS HD2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 732, 743, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 49 HIS HA 50 LYS H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 49 HIS HA 50 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
#
# 49 HIS HA 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 800, 801, 802,
&end
#
# 49 HIS HD2 52 PHE HZ 5.05
&rst
ixpk= 0, nxpk= 0, iat= 743, 788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 49 HIS HD2 53 ALA HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 743, 798, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 49 HIS HD2 53 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 800, 801, 802,
&end
#
# 49 HIS HD2 54 PHE H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 743, 806, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 HIS HD2 54 PHE QD 5.01
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 814, 822,
&end
#
# 49 HIS QB 50 LYS H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 734, 735,
&end
#
# 49 HIS QB 52 PHE H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 734, 735,
&end
#
# 49 HIS QB 53 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 734, 735,
&end
#
# 50 LYS H 50 LYS QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 751, 752,
&end
#
# 50 LYS H 50 LYS QG 4.63
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 754, 755,
&end
#
# 50 LYS H 52 PHE H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 747, 776, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 50 LYS H 52 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 747, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS H 52 PHE QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 786, 790,
&end
#
# 50 LYS HA 50 LYS QD 4.67
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 757, 758,
&end
#
# 50 LYS HA 50 LYS QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 760, 761,
&end
#
# 50 LYS HA 50 LYS QG 3.91
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 754, 755,
&end
#
# 50 LYS HA 52 PHE H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 749, 776, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 50 LYS QB 50 LYS QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 751, 752,
igr2= 757, 758,
&end
#
# 50 LYS QB 50 LYS QE 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 751, 752,
igr2= 760, 761,
&end
#
# 50 LYS QB 52 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
#
# 50 LYS QG 50 LYS QE 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 754, 755,
igr2= 760, 761,
&end
#
# 51 GLY H 52 PHE H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 52 PHE H 52 PHE QE 4.59
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 786, 790,
&end
#
# 52 PHE H 53 ALA H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 776, 796, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 52 PHE H 53 ALA QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 800, 801, 802,
&end
#
# 52 PHE HA 52 PHE QD 4.98
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 784, 792,
&end
#
# 52 PHE HA 53 ALA QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 800, 801, 802,
&end
#
# 52 PHE QB 53 ALA H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 780, 781,
&end
#
# 52 PHE QD 53 ALA H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 784, 792,
&end
#
# 52 PHE QD 53 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 784, 792,
igr2= 800, 801, 802,
&end
#
# 52 PHE QE 53 ALA H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 786, 790,
&end
#
# 53 ALA H 53 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 800, 801, 802,
&end
#
# 53 ALA HA 54 PHE H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 798, 806, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 53 ALA QB 54 PHE H 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 800, 801, 802,
&end
#
# 53 ALA QB 54 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 ALA QB 54 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 800, 801, 802,
igr2= 814, 822,
&end
#
# 54 PHE H 54 PHE QD 4.43
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 814, 822,
&end
#
# 54 PHE H 55 VAL QQG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 54 PHE HA 55 VAL H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 808, 826, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 54 PHE HA 55 VAL HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 808, 828, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 54 PHE HA 55 VAL HB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 808, 830, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 54 PHE HA 55 VAL QQG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 54 PHE HZ 85 ALA QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1281,1282,1283,
&end
#
# 54 PHE QB 55 VAL H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 810, 811,
&end
#
# 54 PHE QD 55 VAL H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 814, 822,
&end
#
# 54 PHE QD 55 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= 814, 822,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 55 VAL H 55 VAL HB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 55 VAL H 55 VAL QQG 4.07
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 55 VAL HA 55 VAL QQG 3.51
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 832, 833, 834, 836, 837, 838,
&end
#
# 55 VAL HA 56 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 828, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 VAL HA 56 GLN HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 828, 847, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 55 VAL HB 56 GLN H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 830, 842, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 55 VAL HB 57 TYR QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 869, 874,
&end
#
# 55 VAL QQG 56 GLN H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 832, 833, 834, 836, 837, 838,
&end
#
# 55 VAL QQG 57 TYR HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 832, 833, 834, 836, 837, 838,
&end
#
# 55 VAL QQG 57 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 832, 833, 834, 836, 837, 838,
igr2= 867, 876,
&end
#
# 55 VAL QQG 57 TYR QE 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 832, 833, 834, 836, 837, 838,
igr2= 869, 874,
&end
#
# 55 VAL QQG 63 ALA QB 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr1= 832, 833, 834, 836, 837, 838,
igr2= 967, 968, 969,
&end
#
# 55 VAL QQG 66 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 832, 833, 834, 836, 837, 838,
igr2=1011,1012,1013,
&end
#
# 56 GLN H 56 GLN HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 842, 846, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 GLN H 56 GLN HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 842, 847, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 56 GLN H 56 GLN QG 5.10
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 849, 850,
&end
#
# 56 GLN H 57 TYR H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 56 GLN HA 57 TYR HB2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 844, 863, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 56 GLN HA 57 TYR QD 5.38
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 867, 876,
&end
#
# 56 GLN HB2 56 GLN HE21 5.20
&rst
ixpk= 0, nxpk= 0, iat= 846, 855, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 56 GLN HB2 57 TYR H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 56 GLN HB3 57 TYR H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 847, 859, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 56 GLN HE21 57 TYR H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 855, 859, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 56 GLN HE21 57 TYR HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 855, 863, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 56 GLN HE22 57 TYR H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 854, 859, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 56 GLN QG 56 GLN HE21 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 849, 850,
&end
#
# 56 GLN QG 57 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 849, 850,
&end
#
# 57 TYR H 57 TYR HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 859, 864, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 57 TYR H 57 TYR QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 867, 876,
&end
#
# 57 TYR H 57 TYR QE 5.15
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 869, 874,
&end
#
# 57 TYR H 58 VAL H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 859, 880, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 57 TYR H 59 ASN H 5.29
&rst
ixpk= 0, nxpk= 0, iat= 859, 896, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 57 TYR H 62 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 859, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 TYR H 63 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 967, 968, 969,
&end
#
# 57 TYR HA 57 TYR QD 3.55
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 867, 876,
&end
#
# 57 TYR HA 57 TYR QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 869, 874,
&end
#
# 57 TYR HA 58 VAL H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 57 TYR HA 58 VAL HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 861, 882, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 57 TYR HA 58 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 TYR HA 59 ASN H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 861, 896, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 57 TYR HA 62 ASN HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 861, 953, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 57 TYR HA 62 ASN HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 861, 954, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 57 TYR HB2 58 VAL H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 863, 880, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 57 TYR HB2 58 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 TYR HB2 59 ASN H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 863, 896, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 57 TYR HB2 62 ASN HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 863, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 TYR HB2 62 ASN HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 863, 954, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 57 TYR HB2 63 ALA H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 863, 963, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 57 TYR HB2 63 ALA HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 863, 965, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 57 TYR HB2 63 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 967, 968, 969,
&end
#
# 57 TYR HB3 58 VAL H 3.77
&rst
ixpk= 0, nxpk= 0, iat= 864, 880, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 57 TYR HB3 58 VAL HB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 864, 884, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 57 TYR HB3 58 VAL QQG 4.82
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 TYR HB3 59 ASN H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 864, 896, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 57 TYR HB3 59 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 864, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 TYR HB3 62 ASN H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 864, 949, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 57 TYR HB3 62 ASN HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 864, 951, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 57 TYR HB3 62 ASN HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 864, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 57 TYR HB3 62 ASN HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 864, 954, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 57 TYR HB3 62 ASN HD21 5.09
&rst
ixpk= 0, nxpk= 0, iat= 864, 959, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 57 TYR HB3 62 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 864, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 TYR HB3 63 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 967, 968, 969,
&end
#
# 57 TYR QD 58 VAL H 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 867, 876,
&end
#
# 57 TYR QD 58 VAL HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 867, 876,
&end
#
# 57 TYR QD 58 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= 867, 876,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 57 TYR QD 59 ASN H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 867, 876,
&end
#
# 57 TYR QD 62 ASN H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 867, 876,
&end
#
# 57 TYR QD 62 ASN HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 867, 876,
&end
#
# 57 TYR QD 62 ASN HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 867, 876,
&end
#
# 57 TYR QD 62 ASN HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 867, 876,
&end
#
# 57 TYR QD 63 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
#
# 57 TYR QD 63 ALA QB 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 867, 876,
igr2= 967, 968, 969,
&end
#
# 57 TYR QD 64 ARG H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 867, 876,
&end
#
# 57 TYR QD 65 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
#
# 57 TYR QD 66 ALA H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 867, 876,
&end
#
# 57 TYR QD 66 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 867, 876,
igr2=1011,1012,1013,
&end
#
# 57 TYR QE 62 ASN HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 869, 874,
&end
#
# 57 TYR QE 62 ASN HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 869, 874,
&end
#
# 57 TYR QE 63 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
#
# 57 TYR QE 63 ALA QB 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 869, 874,
igr2= 967, 968, 969,
&end
#
# 57 TYR QE 65 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 869, 874,
igr2=1001,1002,1003,
&end
#
# 57 TYR QE 66 ALA H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 869, 874,
&end
#
# 57 TYR QE 66 ALA QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 869, 874,
igr2=1011,1012,1013,
&end
#
# 57 TYR QE 67 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 869, 874,
&end
#
# 57 TYR QE 67 VAL QQG 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 869, 874,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 58 VAL H 58 VAL HB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 58 VAL H 58 VAL QQG 3.85
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 58 VAL H 59 ASN H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 880, 896, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 58 VAL H 59 ASN HD21 5.01
&rst
ixpk= 0, nxpk= 0, iat= 880, 906, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 58 VAL H 62 ASN H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 880, 949, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 58 VAL H 62 ASN HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 880, 953, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 58 VAL H 62 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 880, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL H 63 ALA H 5.90
&rst
ixpk= 0, nxpk= 0, iat= 880, 963, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 58 VAL HA 58 VAL QQG 3.15
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 886, 887, 888, 890, 891, 892,
&end
#
# 58 VAL HA 59 ASN HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 882, 898, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 58 VAL HB 59 ASN H 3.09
&rst
ixpk= 0, nxpk= 0, iat= 884, 896, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 58 VAL HB 59 ASN HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 884, 898, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 58 VAL HB 59 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HB 59 ASN HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 884, 901, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 58 VAL HB 59 ASN HD21 4.20
&rst
ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 58 VAL HB 59 ASN HD22 4.46
&rst
ixpk= 0, nxpk= 0, iat= 884, 905, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 58 VAL QQG 59 ASN H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 58 VAL QQG 59 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 58 VAL QQG 59 ASN HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 58 VAL QQG 59 ASN HD21 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 58 VAL QQG 59 ASN HD22 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 58 VAL QQG 62 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 886, 887, 888, 890, 891, 892,
&end
#
# 59 ASN H 59 ASN HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 896, 900, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 59 ASN H 59 ASN HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 896, 901, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 59 ASN H 59 ASN HD21 3.74
&rst
ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 59 ASN H 60 GLU H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 896, 910, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 59 ASN H 61 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 896, 925, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ASN H 62 ASN H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 896, 949, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 59 ASN H 62 ASN HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 896, 953, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 59 ASN H 62 ASN HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 896, 954, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 59 ASN H 62 ASN HD21 4.78
&rst
ixpk= 0, nxpk= 0, iat= 896, 959, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 59 ASN H 63 ALA H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 896, 963, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 59 ASN HA 59 ASN HD21 4.30
&rst
ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 59 ASN HA 59 ASN HD22 5.20
&rst
ixpk= 0, nxpk= 0, iat= 898, 905, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 59 ASN HA 60 GLU H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 898, 910, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 59 ASN HA 60 GLU HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 898, 912, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 59 ASN HA 60 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
#
# 59 ASN HA 61 ARG H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 898, 925, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 59 ASN HA 62 ASN H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 898, 949, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 59 ASN HB2 59 ASN HD21 3.57
&rst
ixpk= 0, nxpk= 0, iat= 900, 906, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 59 ASN HB2 60 GLU H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 900, 910, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 59 ASN HB2 60 GLU HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 900, 915, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 59 ASN HB2 61 ARG H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 900, 925, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 59 ASN HB2 61 ARG HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 900, 930, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 59 ASN HB2 61 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 900, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ASN HB2 61 ARG HG3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 900, 933, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 59 ASN HB2 62 ASN H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 900, 949, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 59 ASN HB3 59 ASN HD21 3.26
&rst
ixpk= 0, nxpk= 0, iat= 901, 906, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 59 ASN HB3 59 ASN HD22 3.72
&rst
ixpk= 0, nxpk= 0, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 59 ASN HB3 60 GLU H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 901, 910, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 59 ASN HB3 61 ARG H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 901, 925, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 59 ASN HB3 62 ASN H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 901, 949, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 59 ASN HD21 60 GLU H 5.23
&rst
ixpk= 0, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 59 ASN HD21 61 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 906, 925, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ASN HD21 61 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
#
# 59 ASN HD21 61 ARG HG3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 906, 933, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 59 ASN QD2 62 ASN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 905, 906,
&end
#
# 59 ASN HD21 62 ASN HD21 4.95
&rst
ixpk= 0, nxpk= 0, iat= 906, 959, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 59 ASN HD21 62 ASN HD22 4.17
&rst
ixpk= 0, nxpk= 0, iat= 906, 958, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 59 ASN HD22 60 GLU H 5.65
&rst
ixpk= 0, nxpk= 0, iat= 905, 910, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 59 ASN HD22 61 ARG H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 905, 925, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 59 ASN HD22 61 ARG HG3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 905, 933, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 59 ASN HD22 61 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 935, 936,
&end
#
# 59 ASN HD22 62 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
#
# 59 ASN HD22 62 ASN HD22 4.92
&rst
ixpk= 0, nxpk= 0, iat= 905, 958, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 60 GLU H 60 GLU HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 910, 914, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 60 GLU H 60 GLU HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat= 910, 915, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 60 GLU H 60 GLU HG3 4.49
&rst
ixpk= 0, nxpk= 0, iat= 910, 918, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 60 GLU H 61 ARG H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 910, 925, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 60 GLU H 62 ASN H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 910, 949, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 60 GLU H 63 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 967, 968, 969,
&end
#
# 60 GLU HA 60 GLU HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 912, 917, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 60 GLU HA 60 GLU HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 912, 918, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 60 GLU HA 61 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 912, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLU HA 63 ALA H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 912, 963, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 60 GLU HA 63 ALA QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 967, 968, 969,
&end
#
# 60 GLU HA 64 ARG H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 912, 973, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 60 GLU HA 84 LEU QQD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 60 GLU HB2 61 ARG H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 914, 925, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 60 GLU HB2 63 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 967, 968, 969,
&end
#
# 60 GLU HB2 84 LEU QQD 5.30
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 60 GLU HB3 61 ARG H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 915, 925, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 60 GLU HB3 62 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 915, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLU HB3 63 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 967, 968, 969,
&end
#
# 60 GLU HG2 61 ARG H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 917, 925, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 60 GLU HG2 61 ARG HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 917, 927, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 60 GLU HG2 62 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 917, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLU HG2 63 ALA QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 967, 968, 969,
&end
#
# 60 GLU HG2 64 ARG H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 917, 973, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 60 GLU HG2 64 ARG HE 4.31
&rst
ixpk= 0, nxpk= 0, iat= 917, 986, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 60 GLU HG2 64 ARG QD 5.39
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 983, 984,
&end
#
# 60 GLU HG2 84 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 60 GLU HG3 61 ARG H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 918, 925, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 60 GLU HG3 61 ARG HB2 5.95
&rst
ixpk= 0, nxpk= 0, iat= 918, 929, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 60 GLU HG3 63 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 967, 968, 969,
&end
#
# 60 GLU HG3 64 ARG H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 918, 973, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 60 GLU HG3 64 ARG HE 4.41
&rst
ixpk= 0, nxpk= 0, iat= 918, 986, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 60 GLU HG3 64 ARG QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 983, 984,
&end
#
# 60 GLU HG3 64 ARG QG 4.66
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 980, 981,
&end
#
# 60 GLU HG3 84 LEU QQD 4.27
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 61 ARG H 61 ARG HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 925, 929, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 61 ARG H 61 ARG HB3 2.63
&rst
ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 2.63, r4= 3.13, &end
#
# 61 ARG H 61 ARG HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 925, 932, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 61 ARG H 61 ARG HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 61 ARG H 61 ARG QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 935, 936,
&end
#
# 61 ARG H 62 ASN H 3.12
&rst
ixpk= 0, nxpk= 0, iat= 925, 949, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 61 ARG H 63 ALA H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 925, 963, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 61 ARG H 63 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 967, 968, 969,
&end
#
# 61 ARG HA 61 ARG HG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 927, 932, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 61 ARG HA 61 ARG HG3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 927, 933, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 61 ARG HA 61 ARG QD 3.63
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 935, 936,
&end
#
# 61 ARG HA 63 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 927, 963, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 61 ARG HA 63 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 967, 968, 969,
&end
#
# 61 ARG HA 64 ARG H 4.14
&rst
ixpk= 0, nxpk= 0, iat= 927, 973, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 61 ARG HA 64 ARG QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 983, 984,
&end
#
# 61 ARG HA 65 ALA H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 927, 997, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 61 ARG HB2 61 ARG QD 2.88
&rst
ixpk= 0, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 935, 936,
&end
#
# 61 ARG HB2 62 ASN H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 929, 949, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 61 ARG HB3 61 ARG HG3 2.82
&rst
ixpk= 0, nxpk= 0, iat= 930, 933, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 61 ARG HB3 61 ARG QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 935, 936,
&end
#
# 61 ARG HB3 62 ASN H 3.24
&rst
ixpk= 0, nxpk= 0, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 61 ARG HB3 62 ASN HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 930, 951, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 61 ARG HG2 61 ARG QD 2.71
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2= 935, 936,
&end
#
# 61 ARG HG2 62 ASN H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 932, 949, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 61 ARG HG2 62 ASN HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 932, 951, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 61 ARG HG2 62 ASN HD21 4.88
&rst
ixpk= 0, nxpk= 0, iat= 932, 959, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 61 ARG HG3 61 ARG QD 2.58
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2= 935, 936,
&end
#
# 61 ARG HG3 62 ASN H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 933, 949, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 61 ARG HG3 62 ASN HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 933, 951, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 61 ARG HG3 62 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 933, 954, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ARG HG3 62 ASN HD21 4.16
&rst
ixpk= 0, nxpk= 0, iat= 933, 959, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 61 ARG HG3 62 ASN HD22 4.34
&rst
ixpk= 0, nxpk= 0, iat= 933, 958, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 61 ARG QD 62 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 935, 936,
&end
#
# 61 ARG QD 62 ASN HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 935, 936,
&end
#
# 61 ARG QD 65 ALA H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 935, 936,
&end
#
# 62 ASN H 62 ASN HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 949, 953, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 ASN H 62 ASN HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 949, 954, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 62 ASN H 62 ASN HD21 4.17
&rst
ixpk= 0, nxpk= 0, iat= 949, 959, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 62 ASN H 62 ASN HD22 4.60
&rst
ixpk= 0, nxpk= 0, iat= 949, 958, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 62 ASN H 63 ALA H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 62 ASN H 63 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 967, 968, 969,
&end
#
# 62 ASN H 64 ARG H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 949, 973, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 62 ASN HA 62 ASN HD21 3.39
&rst
ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 62 ASN HA 62 ASN HD22 3.72
&rst
ixpk= 0, nxpk= 0, iat= 951, 958, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 62 ASN HA 63 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
#
# 62 ASN HA 65 ALA H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 951, 997, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 62 ASN HA 65 ALA QB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1001,1002,1003,
&end
#
# 62 ASN HB2 62 ASN HD21 3.78
&rst
ixpk= 0, nxpk= 0, iat= 953, 959, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 62 ASN HB2 62 ASN HD22 3.94
&rst
ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 62 ASN HB2 63 ALA H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 953, 963, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 62 ASN HB2 63 ALA QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 967, 968, 969,
&end
#
# 62 ASN HB3 62 ASN HD21 3.77
&rst
ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 62 ASN HB3 63 ALA H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 954, 963, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 62 ASN HB3 63 ALA QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 967, 968, 969,
&end
#
# 62 ASN HB3 65 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
#
# 62 ASN HD21 63 ALA H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 959, 963, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 63 ALA H 63 ALA QB 2.75
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 967, 968, 969,
&end
#
# 63 ALA H 64 ARG H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 963, 973, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 63 ALA H 65 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
#
# 63 ALA H 66 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 963,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ALA H 67 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 63 ALA H 84 LEU QQD 4.73
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 63 ALA HA 65 ALA H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 965, 997, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 63 ALA HA 66 ALA H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 965,1007, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 63 ALA HA 66 ALA QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1011,1012,1013,
&end
#
# 63 ALA HA 67 VAL QQG 4.13
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 63 ALA HA 84 LEU QQD 4.26
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 63 ALA QB 64 ARG H 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 967, 968, 969,
&end
#
# 63 ALA QB 64 ARG QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 967, 968, 969,
igr2= 983, 984,
&end
#
# 63 ALA QB 65 ALA H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 967, 968, 969,
&end
#
# 63 ALA QB 67 VAL HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 967, 968, 969,
&end
#
# 63 ALA QB 67 VAL HB 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 967, 968, 969,
&end
#
# 63 ALA QB 67 VAL QQG 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 967, 968, 969,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 63 ALA QB 84 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 967, 968, 969,
&end
#
# 63 ALA QB 84 LEU HG 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 967, 968, 969,
&end
#
# 63 ALA QB 84 LEU QQD 2.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 967, 968, 969,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 64 ARG H 64 ARG QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 977, 978,
&end
#
# 64 ARG H 64 ARG QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 983, 984,
&end
#
# 64 ARG H 64 ARG QG 3.29
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 980, 981,
&end
#
# 64 ARG H 65 ALA H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 973, 997, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 64 ARG H 65 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ARG H 65 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1001,1002,1003,
&end
#
# 64 ARG H 66 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ARG H 67 VAL H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 973,1017, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 64 ARG H 67 VAL HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 973,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ARG H 67 VAL QQG 4.91
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 64 ARG H 68 ALA H 5.90
&rst
ixpk= 0, nxpk= 0, iat= 973,1033, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 64 ARG H 84 LEU QQD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 64 ARG HA 64 ARG QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 983, 984,
&end
#
# 64 ARG HA 64 ARG QG 3.82
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 980, 981,
&end
#
# 64 ARG HA 67 VAL H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 975,1017, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 64 ARG HA 67 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
#
# 64 ARG HA 67 VAL HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 975,1021, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 64 ARG HA 67 VAL QQG 4.12
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 64 ARG HA 68 ALA H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 975,1033, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 64 ARG HA 84 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 975,1265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ARG HA 84 LEU QQD 3.59
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 64 ARG HE 84 LEU QQD 5.14
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 64 ARG QB 64 ARG HE 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 977, 978,
&end
#
# 64 ARG QB 64 ARG QD 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 977, 978,
igr2= 983, 984,
&end
#
# 64 ARG QB 65 ALA HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 977, 978,
&end
#
# 64 ARG QD 65 ALA H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 983, 984,
&end
#
# 64 ARG QD 67 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
#
# 64 ARG QD 84 LEU HG 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 983, 984,
&end
#
# 64 ARG QD 84 LEU QQD 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 983, 984,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 64 ARG QG 64 ARG HE 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 980, 981,
&end
#
# 64 ARG QG 65 ALA H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 980, 981,
&end
#
# 64 ARG QG 67 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= 980, 981,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 64 ARG QG 84 LEU QQD 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 980, 981,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 65 ALA H 65 ALA HA 2.88
&rst
ixpk= 0, nxpk= 0, iat= 997, 999, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 65 ALA H 65 ALA QB 2.52
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1001,1002,1003,
&end
#
# 65 ALA H 66 ALA H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 997,1007, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 65 ALA H 66 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1011,1012,1013,
&end
#
# 65 ALA H 67 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 65 ALA H 68 ALA QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1037,1038,1039,
&end
#
# 65 ALA H 69 GLY H 5.74
&rst
ixpk= 0, nxpk= 0, iat= 997,1043, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 65 ALA HA 66 ALA QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1011,1012,1013,
&end
#
# 65 ALA HA 69 GLY H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 999,1043, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 65 ALA QB 66 ALA H 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1=1001,1002,1003,
&end
#
# 65 ALA QB 66 ALA HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1001,1002,1003,
&end
#
# 65 ALA QB 66 ALA QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1001,1002,1003,
igr2=1011,1012,1013,
&end
#
# 65 ALA QB 67 VAL H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1001,1002,1003,
&end
#
# 65 ALA QB 69 GLY HA3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1001,1002,1003,
&end
#
# 66 ALA H 66 ALA QB 2.79
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2=1011,1012,1013,
&end
#
# 66 ALA H 69 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1007,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ALA HA 67 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 66 ALA HA 69 GLY H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1009,1043, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 66 ALA HA 69 GLY HA2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1009,1045, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 66 ALA HA 69 GLY HA3 4.74
&rst
ixpk= 0, nxpk= 0, iat=1009,1046, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 66 ALA HA 70 GLU H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1009,1050, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 66 ALA HA 82 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 66 ALA QB 67 VAL H 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1011,1012,1013,
&end
#
# 66 ALA QB 67 VAL HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1011,1012,1013,
&end
#
# 66 ALA QB 67 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1011,1012,1013,
&end
#
# 66 ALA QB 67 VAL QQG 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1011,1012,1013,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 66 ALA QB 69 GLY H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1011,1012,1013,
&end
#
# 66 ALA QB 71 ASP H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1011,1012,1013,
&end
#
# 66 ALA QB 82 ILE QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1011,1012,1013,
igr2=1231,1232,1233,
&end
#
# 67 VAL H 67 VAL HB 3.66
&rst
ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 67 VAL H 67 VAL QQG 3.27
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL H 69 GLY H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1017,1043, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 67 VAL H 69 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1017,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 VAL H 82 ILE QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1231,1232,1233,
&end
#
# 67 VAL H 84 LEU QQD 4.83
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 67 VAL HA 67 VAL QQG 3.19
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL HA 68 ALA H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1019,1033, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 67 VAL HA 68 ALA HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=1019,1035, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 67 VAL HA 68 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1037,1038,1039,
&end
#
# 67 VAL HA 69 GLY H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1019,1043, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 67 VAL HA 70 GLU H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1019,1050, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 67 VAL HA 71 ASP H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1019,1065, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 67 VAL HA 71 ASP HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=1019,1067, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 67 VAL HA 71 ASP HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1019,1069, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 67 VAL HA 71 ASP HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat=1019,1070, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 67 VAL HA 82 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1019,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 VAL HA 82 ILE HB 3.98
&rst
ixpk= 0, nxpk= 0, iat=1019,1229, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 67 VAL HA 82 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1238,1239,1240,
&end
#
# 67 VAL HA 82 ILE QG2 3.13
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1231,1232,1233,
&end
#
# 67 VAL HA 84 LEU QQD 5.15
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 67 VAL HB 68 ALA H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 67 VAL HB 68 ALA HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1021,1035, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 67 VAL HB 82 ILE QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1231,1232,1233,
&end
#
# 67 VAL HB 83 ASN HA 4.63
&rst
ixpk= 0, nxpk= 0, iat=1021,1246, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 67 VAL HB 84 LEU HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=1021,1260, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 67 VAL HB 84 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1021,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 VAL HB 84 LEU QQD 3.42
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 67 VAL QQG 68 ALA H 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 68 ALA HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 69 GLY H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 71 ASP HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 71 ASP HB3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 82 ILE HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 82 ILE QG2 2.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1231,1232,1233,
&end
#
# 67 VAL QQG 83 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 83 ASN HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 83 ASN QB 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=1248,1249,
&end
#
# 67 VAL QQG 83 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
#
# 67 VAL QQG 84 LEU H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 84 LEU HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 84 LEU HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 84 LEU HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 84 LEU HG 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 67 VAL QQG 84 LEU QQD 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1023,1024,1025,1027,1028,1029,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 67 VAL QQG 85 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1023,1024,1025,1027,1028,1029,
&end
#
# 68 ALA H 68 ALA QB 2.49
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1037,1038,1039,
&end
#
# 68 ALA H 69 GLY H 3.16
&rst
ixpk= 0, nxpk= 0, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 68 ALA H 69 GLY HA2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1033,1045, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 68 ALA H 69 GLY HA3 4.49
&rst
ixpk= 0, nxpk= 0, iat=1033,1046, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 68 ALA H 71 ASP HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1033,1069, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 68 ALA H 71 ASP HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat=1033,1070, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 68 ALA HA 69 GLY H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1035,1043, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 68 ALA HA 69 GLY HA2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1035,1045, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 68 ALA HA 71 ASP HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1035,1069, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 68 ALA HA 71 ASP HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat=1035,1070, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 68 ALA QB 69 GLY H 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1037,1038,1039,
&end
#
# 68 ALA QB 69 GLY HA2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1037,1038,1039,
&end
#
# 68 ALA QB 69 GLY HA3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1037,1038,1039,
&end
#
# 69 GLY H 69 GLY HA3 2.74
&rst
ixpk= 0, nxpk= 0, iat=1043,1046, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 69 GLY H 70 GLU H 3.40
&rst
ixpk= 0, nxpk= 0, iat=1043,1050, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 69 GLY H 70 GLU HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1043,1052, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 69 GLY H 71 ASP HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat=1043,1070, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 69 GLY HA2 70 GLU HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=1045,1052, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 69 GLY HA3 70 GLU H 3.23
&rst
ixpk= 0, nxpk= 0, iat=1046,1050, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 69 GLY HA3 70 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1046,1052, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 GLY HA3 70 GLU QG 5.42
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1057,1058,
&end
#
# 70 GLU H 70 GLU QB 3.49
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1054,1055,
&end
#
# 70 GLU H 70 GLU QG 3.75
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1057,1058,
&end
#
# 70 GLU H 71 ASP H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1050,1065, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 70 GLU H 71 ASP HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=1050,1067, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 70 GLU H 71 ASP HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat=1050,1069, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 70 GLU H 71 ASP HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat=1050,1070, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 70 GLU H 82 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1238,1239,1240,
&end
#
# 70 GLU HA 70 GLU QG 4.03
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1057,1058,
&end
#
# 70 GLU HA 73 ARG H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1052,1084, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 70 GLU HA 73 ARG HA 5.38
&rst
ixpk= 0, nxpk= 0, iat=1052,1086, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 70 GLU HA 73 ARG HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1052,1088, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 70 GLU HA 73 ARG HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat=1052,1089, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 70 GLU HA 73 ARG HD2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1052,1094, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 70 GLU HA 73 ARG HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1052,1095, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 70 GLU HA 73 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 GLU HA 73 ARG HG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1052,1091, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 70 GLU HA 73 ARG HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1052,1092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 70 GLU HA 75 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1138,1139,1140,
&end
#
# 70 GLU HA 80 LEU QQD 5.06
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 70 GLU HA 82 ILE QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1238,1239,1240,
&end
#
# 70 GLU QB 71 ASP H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1054,1055,
&end
#
# 70 GLU QB 75 ILE QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1054,1055,
igr2=1138,1139,1140,
&end
#
# 70 GLU QB 82 ILE QD1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1054,1055,
igr2=1238,1239,1240,
&end
#
# 70 GLU QG 71 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1057,1058,
&end
#
# 70 GLU QG 82 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1057,1058,
igr2=1238,1239,1240,
&end
#
# 71 ASP H 71 ASP HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat=1065,1069, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 71 ASP H 71 ASP HB3 3.18
&rst
ixpk= 0, nxpk= 0, iat=1065,1070, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 71 ASP H 72 GLY H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 71 ASP H 73 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
#
# 71 ASP H 82 ILE H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1065,1225, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 71 ASP H 82 ILE HB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1065,1229, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 71 ASP H 82 ILE QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1238,1239,1240,
&end
#
# 71 ASP H 82 ILE QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1231,1232,1233,
&end
#
# 71 ASP HA 72 GLY H 3.08
&rst
ixpk= 0, nxpk= 0, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 71 ASP HA 72 GLY HA3 4.53
&rst
ixpk= 0, nxpk= 0, iat=1067,1080, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 71 ASP HA 73 ARG H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 71 ASP HA 80 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1067,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ASP HA 80 LEU QQD 4.27
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 71 ASP HA 81 ASP HA 4.65
&rst
ixpk= 0, nxpk= 0, iat=1067,1215, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 71 ASP HA 82 ILE H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1067,1225, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 71 ASP HA 82 ILE HA 4.74
&rst
ixpk= 0, nxpk= 0, iat=1067,1227, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 71 ASP HA 82 ILE HB 2.82
&rst
ixpk= 0, nxpk= 0, iat=1067,1229, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 71 ASP HA 82 ILE QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1238,1239,1240,
&end
#
# 71 ASP HA 82 ILE QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1235,1236,
&end
#
# 71 ASP HA 82 ILE QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1231,1232,1233,
&end
#
# 71 ASP HB2 72 GLY H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1069,1077, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 71 ASP HB2 82 ILE H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1069,1225, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 71 ASP HB2 82 ILE HB 3.99
&rst
ixpk= 0, nxpk= 0, iat=1069,1229, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 71 ASP HB2 82 ILE QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1238,1239,1240,
&end
#
# 71 ASP HB2 82 ILE QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1231,1232,1233,
&end
#
# 71 ASP HB3 72 GLY H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1070,1077, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 71 ASP HB3 82 ILE H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1070,1225, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 71 ASP HB3 82 ILE HB 4.12
&rst
ixpk= 0, nxpk= 0, iat=1070,1229, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 71 ASP HB3 82 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1238,1239,1240,
&end
#
# 71 ASP HB3 82 ILE QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1231,1232,1233,
&end
#
# 72 GLY H 73 ARG H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1077,1084, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 72 GLY H 73 ARG HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat=1077,1089, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 72 GLY H 79 VAL QQG 3.35
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 72 GLY H 80 LEU HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1077,1198, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 72 GLY H 81 ASP HA 4.20
&rst
ixpk= 0, nxpk= 0, iat=1077,1215, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 72 GLY H 82 ILE H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1077,1225, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 72 GLY H 82 ILE HB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1077,1229, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 72 GLY H 82 ILE QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1238,1239,1240,
&end
#
# 72 GLY H 82 ILE QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1235,1236,
&end
#
# 72 GLY HA2 73 ARG H 3.28
&rst
ixpk= 0, nxpk= 0, iat=1079,1084, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 72 GLY HA2 79 VAL QQG 4.30
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 72 GLY HA2 80 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 72 GLY HA3 73 ARG HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1080,1086, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 72 GLY HA3 79 VAL QQG 5.29
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 ARG H 73 ARG HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1084,1088, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 73 ARG H 73 ARG HB3 2.93
&rst
ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 73 ARG H 73 ARG HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1084,1094, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 73 ARG H 73 ARG HD3 5.13
&rst
ixpk= 0, nxpk= 0, iat=1084,1095, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 73 ARG H 73 ARG HE 5.33
&rst
ixpk= 0, nxpk= 0, iat=1084,1097, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 73 ARG H 73 ARG HG2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1084,1091, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 73 ARG H 73 ARG HG3 3.43
&rst
ixpk= 0, nxpk= 0, iat=1084,1092, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 73 ARG H 74 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
#
# 73 ARG H 75 ILE QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1138,1139,1140,
&end
#
# 73 ARG H 79 VAL HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=1084,1180, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 73 ARG H 79 VAL QQG 3.34
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 ARG H 80 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1084,1194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 73 ARG H 80 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 ARG H 81 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1084,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ARG H 82 ILE QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1238,1239,1240,
&end
#
# 73 ARG HA 73 ARG HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1086,1094, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 73 ARG HA 73 ARG HE 4.53
&rst
ixpk= 0, nxpk= 0, iat=1086,1097, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 73 ARG HA 73 ARG HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 73 ARG HA 73 ARG HG3 3.67
&rst
ixpk= 0, nxpk= 0, iat=1086,1092, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 73 ARG HA 74 MET H 2.54
&rst
ixpk= 0, nxpk= 0, iat=1086,1108, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end
#
# 73 ARG HA 74 MET HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat=1086,1113, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 73 ARG HA 75 ILE QD1 5.90
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1138,1139,1140,
&end
#
# 73 ARG HA 79 VAL QQG 5.19
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 ARG HA 80 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 ARG HB2 73 ARG HD2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1088,1094, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 73 ARG HB2 73 ARG HD3 3.68
&rst
ixpk= 0, nxpk= 0, iat=1088,1095, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 73 ARG HB2 73 ARG HE 4.07
&rst
ixpk= 0, nxpk= 0, iat=1088,1097, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 73 ARG HB2 74 MET H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1088,1108, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 73 ARG HB2 75 ILE QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1138,1139,1140,
&end
#
# 73 ARG HB2 79 VAL QQG 4.80
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 ARG HB2 80 LEU QQD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 ARG HB3 73 ARG HD2 3.47
&rst
ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 73 ARG HB3 73 ARG HD3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1089,1095, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 73 ARG HB3 73 ARG HE 4.15
&rst
ixpk= 0, nxpk= 0, iat=1089,1097, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 73 ARG HB3 74 MET H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1089,1108, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 73 ARG HB3 75 ILE QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1138,1139,1140,
&end
#
# 73 ARG HB3 79 VAL QQG 4.69
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 ARG HB3 80 LEU QQD 4.36
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 ARG HB3 82 ILE QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1238,1239,1240,
&end
#
# 73 ARG HD2 74 MET H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 73 ARG HD2 75 ILE HG12 4.99
&rst
ixpk= 0, nxpk= 0, iat=1094,1135, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 73 ARG HD2 75 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1138,1139,1140,
&end
#
# 73 ARG HD2 80 LEU QQD 4.15
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 ARG HD2 82 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1238,1239,1240,
&end
#
# 73 ARG HD3 74 MET H 5.36
&rst
ixpk= 0, nxpk= 0, iat=1095,1108, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 73 ARG HD3 75 ILE HG12 4.58
&rst
ixpk= 0, nxpk= 0, iat=1095,1135, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 73 ARG HD3 75 ILE HG13 3.91
&rst
ixpk= 0, nxpk= 0, iat=1095,1136, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 73 ARG HD3 75 ILE QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1138,1139,1140,
&end
#
# 73 ARG HD3 80 LEU QQD 3.97
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 ARG HE 74 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
#
# 73 ARG HE 75 ILE HG13 4.27
&rst
ixpk= 0, nxpk= 0, iat=1097,1136, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 73 ARG HE 75 ILE QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1138,1139,1140,
&end
#
# 73 ARG HE 80 LEU QQD 5.19
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 ARG HG2 73 ARG HE 4.07
&rst
ixpk= 0, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 73 ARG HG2 80 LEU QQD 3.69
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 73 ARG HG3 73 ARG HE 3.79
&rst
ixpk= 0, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 73 ARG HG3 74 MET H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1092,1108, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 73 ARG HG3 75 ILE HG12 4.41
&rst
ixpk= 0, nxpk= 0, iat=1092,1135, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 73 ARG HG3 75 ILE QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1138,1139,1140,
&end
#
# 73 ARG HG3 79 VAL QQG 4.20
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 73 ARG HG3 80 LEU H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1092,1194, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 73 ARG HG3 80 LEU QQD 3.78
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 74 MET H 74 MET HA 2.92
&rst
ixpk= 0, nxpk= 0, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 74 MET H 74 MET HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 MET H 74 MET HB3 2.72
&rst
ixpk= 0, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 74 MET H 74 MET HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 74 MET H 75 ILE H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1108,1125, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 74 MET H 75 ILE HG13 4.51
&rst
ixpk= 0, nxpk= 0, iat=1108,1136, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 74 MET H 79 VAL HA 4.60
&rst
ixpk= 0, nxpk= 0, iat=1108,1180, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 74 MET H 79 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
#
# 74 MET H 80 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1108,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 MET H 80 LEU QQD 5.29
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 74 MET HA 74 MET HG2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 74 MET HA 74 MET HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 74 MET HA 74 MET QE 3.28
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1119,1120,1121,
&end
#
# 74 MET HA 75 ILE HG13 3.79
&rst
ixpk= 0, nxpk= 0, iat=1110,1136, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 74 MET HA 75 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1131,1132,1133,
&end
#
# 74 MET HA 77 GLY H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1110,1154, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 74 MET HA 78 GLN H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1110,1161, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 74 MET HA 79 VAL HA 2.88
&rst
ixpk= 0, nxpk= 0, iat=1110,1180, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 74 MET HA 79 VAL HB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1110,1182, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 74 MET HA 79 VAL QQG 3.62
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 74 MET HA 80 LEU H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1110,1194, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 74 MET HA 80 LEU QQD 5.03
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 74 MET HB2 75 ILE H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1112,1125, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 74 MET HB2 79 VAL HA 4.49
&rst
ixpk= 0, nxpk= 0, iat=1112,1180, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 74 MET HB2 79 VAL QQG 4.83
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 74 MET HB3 75 ILE H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1113,1125, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 74 MET HG2 74 MET QE 3.46
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1119,1120,1121,
&end
#
# 74 MET HG2 75 ILE H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1115,1125, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 74 MET HG2 75 ILE HA 5.08
&rst
ixpk= 0, nxpk= 0, iat=1115,1127, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 74 MET HG2 77 GLY H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1115,1154, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 74 MET HG2 77 GLY HA2 4.28
&rst
ixpk= 0, nxpk= 0, iat=1115,1156, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 74 MET HG2 77 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 MET HG2 78 GLN H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1115,1161, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 74 MET HG2 78 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 MET HG3 74 MET QE 2.71
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2=1119,1120,1121,
&end
#
# 74 MET HG3 75 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1116,1125, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 MET HG3 75 ILE HA 4.69
&rst
ixpk= 0, nxpk= 0, iat=1116,1127, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 74 MET HG3 77 GLY H 3.69
&rst
ixpk= 0, nxpk= 0, iat=1116,1154, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 74 MET HG3 77 GLY HA2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1116,1156, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 74 MET HG3 77 GLY HA3 4.82
&rst
ixpk= 0, nxpk= 0, iat=1116,1157, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 74 MET HG3 78 GLN H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1116,1161, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 74 MET HG3 79 VAL HA 4.29
&rst
ixpk= 0, nxpk= 0, iat=1116,1180, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 74 MET HG3 79 VAL QQG 4.11
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 74 MET QE 75 ILE HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1119,1120,1121,
&end
#
# 74 MET QE 77 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1119,1120,1121,
&end
#
# 74 MET QE 77 GLY HA2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1119,1120,1121,
&end
#
# 74 MET QE 77 GLY HA3 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1119,1120,1121,
&end
#
# 74 MET QE 78 GLN H 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1119,1120,1121,
&end
#
# 74 MET QE 78 GLN HA 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1119,1120,1121,
&end
#
# 74 MET QE 79 VAL H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1119,1120,1121,
&end
#
# 74 MET QE 79 VAL HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1119,1120,1121,
&end
#
# 74 MET QE 79 VAL QQG 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1=1119,1120,1121,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 74 MET QE 80 LEU H 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1119,1120,1121,
&end
#
# 75 ILE H 75 ILE HB 3.44
&rst
ixpk= 0, nxpk= 0, iat=1125,1129, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 75 ILE H 75 ILE HG12 4.35
&rst
ixpk= 0, nxpk= 0, iat=1125,1135, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 75 ILE H 75 ILE HG13 4.10
&rst
ixpk= 0, nxpk= 0, iat=1125,1136, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 75 ILE H 75 ILE QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1138,1139,1140,
&end
#
# 75 ILE H 75 ILE QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1131,1132,1133,
&end
#
# 75 ILE H 76 ALA H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1125,1144, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 75 ILE H 77 GLY H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1125,1154, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 75 ILE H 78 GLN H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1125,1161, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 75 ILE H 79 VAL HA 3.52
&rst
ixpk= 0, nxpk= 0, iat=1125,1180, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 75 ILE H 79 VAL QQG 4.49
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 75 ILE H 80 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1125,1194, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 75 ILE H 80 LEU QQD 3.90
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 75 ILE HA 75 ILE HG12 3.31
&rst
ixpk= 0, nxpk= 0, iat=1127,1135, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 75 ILE HA 75 ILE HG13 3.61
&rst
ixpk= 0, nxpk= 0, iat=1127,1136, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 75 ILE HA 75 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1138,1139,1140,
&end
#
# 75 ILE HA 75 ILE QG2 2.84
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1131,1132,1133,
&end
#
# 75 ILE HA 76 ALA H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1127,1144, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 75 ILE HA 76 ALA HA 4.48
&rst
ixpk= 0, nxpk= 0, iat=1127,1146, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 75 ILE HA 76 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1148,1149,1150,
&end
#
# 75 ILE HA 77 GLY H 3.68
&rst
ixpk= 0, nxpk= 0, iat=1127,1154, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 75 ILE HA 78 GLN H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1127,1161, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 75 ILE HA 80 LEU QQD 5.36
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 75 ILE HB 75 ILE QD1 3.02
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1138,1139,1140,
&end
#
# 75 ILE HB 76 ALA H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1129,1144, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 75 ILE HB 77 GLY H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1129,1154, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 75 ILE HB 80 LEU HG 4.28
&rst
ixpk= 0, nxpk= 0, iat=1129,1201, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 75 ILE HB 80 LEU QQD 3.68
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 75 ILE HG12 76 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1135,1144, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 75 ILE QG1 79 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1135,1136,
&end
#
# 75 ILE HG12 80 LEU HG 5.23
&rst
ixpk= 0, nxpk= 0, iat=1135,1201, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 75 ILE HG12 80 LEU QQD 3.95
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 75 ILE HG13 80 LEU QQD 3.57
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 75 ILE QD1 79 VAL HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1138,1139,1140,
&end
#
# 75 ILE QD1 80 LEU HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1138,1139,1140,
&end
#
# 75 ILE QD1 80 LEU HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1138,1139,1140,
&end
#
# 75 ILE QD1 80 LEU HG 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1138,1139,1140,
&end
#
# 75 ILE QD1 80 LEU QQD 2.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1138,1139,1140,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 75 ILE QG2 75 ILE HG12 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr1=1131,1132,1133,
&end
#
# 75 ILE QG2 75 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
#
# 75 ILE QG2 76 ALA H 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1131,1132,1133,
&end
#
# 75 ILE QG2 76 ALA HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1131,1132,1133,
&end
#
# 75 ILE QG2 76 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=1131,1132,1133,
igr2=1148,1149,1150,
&end
#
# 75 ILE QG2 77 GLY H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1131,1132,1133,
&end
#
# 75 ILE QG2 80 LEU HG 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1131,1132,1133,
&end
#
# 76 ALA H 76 ALA QB 3.33
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1148,1149,1150,
&end
#
# 76 ALA H 77 GLY H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 76 ALA H 77 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1144,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ALA H 78 GLN H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1144,1161, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 76 ALA H 80 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 76 ALA HA 77 GLY H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1146,1154, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 76 ALA HA 77 GLY HA2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1146,1156, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 76 ALA HA 77 GLY HA3 4.61
&rst
ixpk= 0, nxpk= 0, iat=1146,1157, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 76 ALA QB 77 GLY H 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1148,1149,1150,
&end
#
# 76 ALA QB 77 GLY HA2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1148,1149,1150,
&end
#
# 76 ALA QB 77 GLY HA3 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1148,1149,1150,
&end
#
# 76 ALA QB 78 GLN H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1148,1149,1150,
&end
#
# 77 GLY H 77 GLY HA2 2.74
&rst
ixpk= 0, nxpk= 0, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 77 GLY H 78 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
#
# 77 GLY H 78 GLN HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=1154,1163, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 77 GLY H 78 GLN HE21 5.01
&rst
ixpk= 0, nxpk= 0, iat=1154,1174, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 77 GLY H 78 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 GLY H 80 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 77 GLY HA2 78 GLN H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1156,1161, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 77 GLY HA2 78 GLN QG 5.37
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1168,1169,
&end
#
# 77 GLY HA3 78 GLN H 3.41
&rst
ixpk= 0, nxpk= 0, iat=1157,1161, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 78 GLN H 78 GLN HE21 4.37
&rst
ixpk= 0, nxpk= 0, iat=1161,1174, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 78 GLN H 78 GLN HE22 4.73
&rst
ixpk= 0, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 78 GLN H 78 GLN QB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1165,1166,
&end
#
# 78 GLN H 79 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 78 GLN H 80 LEU QQD 4.36
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 78 GLN HA 78 GLN HE21 4.82
&rst
ixpk= 0, nxpk= 0, iat=1163,1174, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 78 GLN HA 78 GLN HE22 5.36
&rst
ixpk= 0, nxpk= 0, iat=1163,1173, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 78 GLN HA 78 GLN QG 3.52
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1168,1169,
&end
#
# 78 GLN HA 79 VAL H 2.99
&rst
ixpk= 0, nxpk= 0, iat=1163,1178, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 78 GLN HA 79 VAL HB 5.11
&rst
ixpk= 0, nxpk= 0, iat=1163,1182, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 78 GLN HA 79 VAL QQG 5.48
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 78 GLN HE21 79 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1174,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLN QB 78 GLN HE21 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1165,1166,
&end
#
# 78 GLN QB 78 GLN HE22 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1165,1166,
&end
#
# 78 GLN QB 79 VAL H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1165,1166,
&end
#
# 78 GLN QG 79 VAL H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1168,1169,
&end
#
# 78 GLN QG 79 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1168,1169,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 79 VAL H 79 VAL HB 3.12
&rst
ixpk= 0, nxpk= 0, iat=1178,1182, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 79 VAL H 79 VAL QQG 3.82
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 79 VAL H 80 LEU H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1178,1194, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 79 VAL H 80 LEU QQD 4.37
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 79 VAL HA 79 VAL QQG 3.20
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 79 VAL HA 80 LEU H 3.23
&rst
ixpk= 0, nxpk= 0, iat=1180,1194, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 79 VAL HA 80 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1180,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL HA 80 LEU HG 5.18
&rst
ixpk= 0, nxpk= 0, iat=1180,1201, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 79 VAL HA 80 LEU QQD 3.69
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 79 VAL HB 80 LEU H 3.85
&rst
ixpk= 0, nxpk= 0, iat=1182,1194, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 79 VAL HB 80 LEU QQD 4.80
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 79 VAL QQG 80 LEU H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 79 VAL QQG 80 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 79 VAL QQG 80 LEU HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 79 VAL QQG 80 LEU HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 79 VAL QQG 81 ASP H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 79 VAL QQG 81 ASP HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 80 LEU H 80 LEU HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1194,1198, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 80 LEU H 80 LEU HG 3.90
&rst
ixpk= 0, nxpk= 0, iat=1194,1201, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 80 LEU H 80 LEU QQD 3.40
&rst
ixpk= 0, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU H 81 ASP H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1194,1213, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 80 LEU HA 80 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HA 81 ASP H 3.46
&rst
ixpk= 0, nxpk= 0, iat=1196,1213, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 80 LEU HA 81 ASP HA 5.28
&rst
ixpk= 0, nxpk= 0, iat=1196,1215, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 80 LEU HA 81 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
#
# 80 LEU HB2 80 LEU QQD 3.99
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HB2 81 ASP H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1198,1213, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 80 LEU HB2 82 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1238,1239,1240,
&end
#
# 80 LEU HB2 82 ILE QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1235,1236,
&end
#
# 80 LEU HB3 80 LEU QQD 3.35
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1203,1204,1205,1207,1208,1209,
&end
#
# 80 LEU HB3 81 ASP H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 80 LEU HB3 82 ILE QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1235,1236,
&end
#
# 80 LEU QQD 81 ASP H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1203,1204,1205,1207,1208,1209,
&end
#
# 81 ASP H 81 ASP QB 3.98
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1217,1218,
&end
#
# 81 ASP HA 82 ILE H 3.10
&rst
ixpk= 0, nxpk= 0, iat=1215,1225, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 81 ASP HA 82 ILE HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=1215,1227, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 81 ASP HA 82 ILE HB 5.40
&rst
ixpk= 0, nxpk= 0, iat=1215,1229, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 81 ASP HA 82 ILE QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1238,1239,1240,
&end
#
# 81 ASP HA 82 ILE QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1235,1236,
&end
#
# 81 ASP QB 82 ILE H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1217,1218,
&end
#
# 82 ILE H 82 ILE HB 3.78
&rst
ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 82 ILE H 82 ILE QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1238,1239,1240,
&end
#
# 82 ILE H 82 ILE QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1235,1236,
&end
#
# 82 ILE H 82 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1231,1232,1233,
&end
#
# 82 ILE H 83 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1225,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ILE HA 82 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1238,1239,1240,
&end
#
# 82 ILE HA 82 ILE QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1231,1232,1233,
&end
#
# 82 ILE HA 83 ASN H 3.01
&rst
ixpk= 0, nxpk= 0, iat=1227,1244, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 82 ILE HB 82 ILE QD1 3.10
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1238,1239,1240,
&end
#
# 82 ILE HB 83 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 ILE QD1 83 ASN H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1238,1239,1240,
&end
#
# 82 ILE QG1 83 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1235,1236,
&end
#
# 82 ILE QG2 82 ILE QG1 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1231,1232,1233,
igr2=1235,1236,
&end
#
# 82 ILE QG2 83 ASN H 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1231,1232,1233,
&end
#
# 82 ILE QG2 83 ASN HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1231,1232,1233,
&end
#
# 82 ILE QG2 83 ASN QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1231,1232,1233,
igr2=1248,1249,
&end
#
# 83 ASN H 83 ASN QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1253,1254,
&end
#
# 83 ASN H 84 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1244,1258, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 83 ASN HA 83 ASN QD2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1253,1254,
&end
#
# 83 ASN QB 84 LEU H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1248,1249,
&end
#
# 83 ASN QD2 84 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1253,1254,
&end
#
# 83 ASN QD2 84 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=1253,1254,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 83 ASN QD2 85 ALA HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1253,1254,
&end
#
# 83 ASN QD2 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=1253,1254,
igr2=1281,1282,1283,
&end
#
# 83 ASN QD2 87 GLU H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1253,1254,
&end
#
# 83 ASN QD2 88 PRO HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1253,1254,
&end
#
# 83 ASN QD2 88 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1253,1254,
&end
#
# 83 ASN QD2 88 PRO HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1253,1254,
&end
#
# 83 ASN QD2 89 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1253,1254,
&end
#
# 84 LEU H 84 LEU HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1258,1262, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 84 LEU H 84 LEU HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat=1258,1263, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 84 LEU H 84 LEU HG 4.41
&rst
ixpk= 0, nxpk= 0, iat=1258,1265, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 84 LEU H 84 LEU QQD 4.38
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU H 87 GLU H 5.04
&rst
ixpk= 0, nxpk= 0, iat=1258,1297, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 84 LEU HA 84 LEU HG 3.79
&rst
ixpk= 0, nxpk= 0, iat=1260,1265, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 84 LEU HA 84 LEU QQD 3.78
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU HA 85 ALA HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 84 LEU HA 85 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1281,1282,1283,
&end
#
# 84 LEU HA 86 ALA H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1260,1287, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 84 LEU HB2 84 LEU QQD 3.16
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU HB2 85 ALA H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1262,1277, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 84 LEU HB2 87 GLU H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1262,1297, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 84 LEU HB2 87 GLU HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1262,1301, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 84 LEU HB2 87 GLU HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat=1262,1304, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 84 LEU HB2 87 GLU HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1262,1305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 LEU HB3 84 LEU QQD 3.28
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU HB3 85 ALA H 3.70
&rst
ixpk= 0, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 84 LEU HB3 85 ALA HA 4.67
&rst
ixpk= 0, nxpk= 0, iat=1263,1279, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 84 LEU HB3 86 ALA H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1263,1287, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 84 LEU HB3 86 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1291,1292,1293,
&end
#
# 84 LEU HB3 87 GLU H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1263,1297, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 84 LEU HG 85 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1265,1277, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 84 LEU QQD 85 ALA H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU QQD 85 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
#
# 84 LEU QQD 85 ALA QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1267,1268,1269,1271,1272,1273,
igr2=1281,1282,1283,
&end
#
# 84 LEU QQD 86 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU QQD 86 ALA HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU QQD 86 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1267,1268,1269,1271,1272,1273,
igr2=1291,1292,1293,
&end
#
# 84 LEU QQD 87 GLU H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU QQD 87 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU QQD 87 GLU HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU QQD 87 GLU HG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 84 LEU QQD 87 GLU HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1267,1268,1269,1271,1272,1273,
&end
#
# 85 ALA H 85 ALA QB 3.14
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1281,1282,1283,
&end
#
# 85 ALA H 86 ALA H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1277,1287, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 85 ALA H 86 ALA QB 4.34
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1291,1292,1293,
&end
#
# 85 ALA H 87 GLU H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1277,1297, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 85 ALA HA 86 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1291,1292,1293,
&end
#
# 85 ALA HA 87 GLU H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1279,1297, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 85 ALA QB 86 ALA H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1281,1282,1283,
&end
#
# 85 ALA QB 86 ALA HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1281,1282,1283,
&end
#
# 85 ALA QB 86 ALA QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1281,1282,1283,
igr2=1291,1292,1293,
&end
#
# 85 ALA QB 87 GLU H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1281,1282,1283,
&end
#
# 86 ALA H 86 ALA QB 3.07
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1291,1292,1293,
&end
#
# 86 ALA H 87 GLU H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1287,1297, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 86 ALA H 87 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1287,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ALA HA 87 GLU H 3.37
&rst
ixpk= 0, nxpk= 0, iat=1289,1297, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 86 ALA HA 87 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1289,1299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 ALA HA 88 PRO HG3 4.81
&rst
ixpk= 0, nxpk= 0, iat=1289,1317, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 86 ALA HA 88 PRO QD 4.25
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1313,1314,
&end
#
# 86 ALA QB 87 GLU H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1291,1292,1293,
&end
#
# 86 ALA QB 87 GLU HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1291,1292,1293,
&end
#
# 86 ALA QB 87 GLU HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1291,1292,1293,
&end
#
# 86 ALA QB 87 GLU HG3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1291,1292,1293,
&end
#
# 86 ALA QB 88 PRO QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1291,1292,1293,
igr2=1313,1314,
&end
#
# 87 GLU H 87 GLU HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1297,1301, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 87 GLU H 87 GLU HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1297,1304, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 87 GLU H 87 GLU HG3 3.42
&rst
ixpk= 0, nxpk= 0, iat=1297,1305, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 87 GLU H 88 PRO HG3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1297,1317, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 87 GLU H 88 PRO QD 3.62
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1313,1314,
&end
#
# 87 GLU HA 87 GLU HG2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1299,1304, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 87 GLU HA 87 GLU HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1299,1305, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 87 GLU HA 88 PRO HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1299,1316, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 87 GLU HA 88 PRO HG3 5.24
&rst
ixpk= 0, nxpk= 0, iat=1299,1317, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 87 GLU HA 88 PRO QD 3.57
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1313,1314,
&end
#
# 87 GLU HB2 87 GLU HG3 2.97
&rst
ixpk= 0, nxpk= 0, iat=1301,1305, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 87 GLU HB2 88 PRO QD 5.02
&rst
ixpk= 0, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1313,1314,
&end
#
# 87 GLU HB3 88 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 87 GLU HG2 88 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 87 GLU HG3 88 PRO QD 5.40
&rst
ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1313,1314,
&end
#
# 88 PRO HA 89 LYS H 3.12
&rst
ixpk= 0, nxpk= 0, iat=1322,1326, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 88 PRO HA 89 LYS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=1322,1328, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 88 PRO HA 90 VAL H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1322,1348, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 88 PRO HA 90 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 88 PRO HB2 89 LYS H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1319,1326, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 88 PRO HB2 89 LYS HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=1319,1328, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 89 LYS H 89 LYS QB 3.98
&rst
ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1330,1331,
&end
#
# 89 LYS H 89 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
#
# 89 LYS H 89 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1339,1340,
&end
#
# 89 LYS H 89 LYS QG 4.60
&rst
ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1333,1334,
&end
#
# 89 LYS H 90 VAL H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1326,1348, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 89 LYS HA 89 LYS QE 4.71
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1339,1340,
&end
#
# 89 LYS HA 89 LYS QG 3.70
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1333,1334,
&end
#
# 89 LYS HA 90 VAL HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=1328,1350, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 89 LYS QB 89 LYS QD 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1330,1331,
igr2=1336,1337,
&end
#
# 89 LYS QB 89 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1330,1331,
igr2=1339,1340,
&end
#
# 89 LYS QB 90 VAL H 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1330,1331,
&end
#
# 89 LYS QB 90 VAL HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1330,1331,
&end
#
# 89 LYS QD 90 VAL H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1336,1337,
&end
#
# 89 LYS QG 89 LYS QE 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1333,1334,
igr2=1339,1340,
&end
#
# 90 VAL H 90 VAL HB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1348,1352, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 90 VAL H 90 VAL QQG 3.92
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL H 91 ASN H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1348,1364, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 90 VAL H 91 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1348,1366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 VAL H 92 ARG H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1348,1378, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 90 VAL HA 90 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
#
# 90 VAL HA 90 VAL QQG 3.25
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL HA 91 ASN H 2.86
&rst
ixpk= 0, nxpk= 0, iat=1350,1364, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 90 VAL HA 91 ASN HA 4.43
&rst
ixpk= 0, nxpk= 0, iat=1350,1366, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 90 VAL HA 91 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1350,1368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 VAL HA 91 ASN HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat=1350,1369, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 90 VAL HA 91 ASN HD21 4.82
&rst
ixpk= 0, nxpk= 0, iat=1350,1374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 90 VAL HA 91 ASN HD22 4.80
&rst
ixpk= 0, nxpk= 0, iat=1350,1373, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 90 VAL HA 92 ARG H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1350,1378, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 90 VAL HB 91 ASN H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1352,1364, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 90 VAL HB 92 ARG H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1352,1378, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 90 VAL QQG 91 ASN H 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL QQG 91 ASN HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL QQG 91 ASN HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL QQG 91 ASN HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL QQG 91 ASN HD21 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL QQG 91 ASN HD22 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL QQG 92 ARG H 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL QQG 92 ARG HA 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 90 VAL QQG 92 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1354,1355,1356,1358,1359,1360,
igr2=1388,1389,
&end
#
# 90 VAL QQG 93 GLY H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1354,1355,1356,1358,1359,1360,
&end
#
# 91 ASN H 91 ASN HB2 3.35
&rst
ixpk= 0, nxpk= 0, iat=1364,1368, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 91 ASN H 91 ASN HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat=1364,1369, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 91 ASN H 91 ASN HD21 3.94
&rst
ixpk= 0, nxpk= 0, iat=1364,1374, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 91 ASN H 91 ASN HD22 4.23
&rst
ixpk= 0, nxpk= 0, iat=1364,1373, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 91 ASN H 92 ARG H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1364,1378, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 91 ASN H 93 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1364,1402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ASN HA 91 ASN HB3 2.82
&rst
ixpk= 0, nxpk= 0, iat=1366,1369, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 91 ASN HA 91 ASN HD21 4.21
&rst
ixpk= 0, nxpk= 0, iat=1366,1374, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 91 ASN HA 91 ASN HD22 4.90
&rst
ixpk= 0, nxpk= 0, iat=1366,1373, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 91 ASN HA 92 ARG H 3.15
&rst
ixpk= 0, nxpk= 0, iat=1366,1378, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 91 ASN HA 93 GLY H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1366,1402, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 91 ASN HB2 91 ASN HD21 2.83
&rst
ixpk= 0, nxpk= 0, iat=1368,1374, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 91 ASN HB2 91 ASN HD22 3.63
&rst
ixpk= 0, nxpk= 0, iat=1368,1373, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 91 ASN HB2 92 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1368,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 ASN HB2 92 ARG QB 5.15
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1382,1383,
&end
#
# 91 ASN HB2 93 GLY H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1368,1402, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 91 ASN HB3 91 ASN HD21 3.87
&rst
ixpk= 0, nxpk= 0, iat=1369,1374, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 91 ASN HB3 92 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 91 ASN HD21 92 ARG H 4.96
&rst
ixpk= 0, nxpk= 0, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 91 ASN HD21 92 ARG HA 5.70
&rst
ixpk= 0, nxpk= 0, iat=1374,1380, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 92 ARG H 92 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ARG H 92 ARG QB 3.79
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1382,1383,
&end
#
# 92 ARG H 92 ARG QG 3.32
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1385,1386,
&end
#
# 92 ARG H 93 GLY H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1378,1402, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 92 ARG HA 92 ARG HE 5.42
&rst
ixpk= 0, nxpk= 0, iat=1380,1391, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 92 ARG HA 92 ARG QB 2.80
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1382,1383,
&end
#
# 92 ARG HA 92 ARG QD 4.88
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1388,1389,
&end
#
# 92 ARG HA 92 ARG QG 3.39
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1385,1386,
&end
#
# 92 ARG HA 93 GLY H 2.80
&rst
ixpk= 0, nxpk= 0, iat=1380,1402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 ARG HA 93 GLY QA 4.58
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1404,1405,
&end
#
# 92 ARG QB 92 ARG HE 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1382,1383,
&end
#
# 92 ARG QB 92 ARG QD 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1382,1383,
igr2=1388,1389,
&end
#
# 92 ARG QB 92 ARG QG 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1382,1383,
igr2=1385,1386,
&end
#
# 92 ARG QB 93 GLY H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1382,1383,
&end
#
# 92 ARG QB 93 GLY QA 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1382,1383,
igr2=1404,1405,
&end
#
# 92 ARG QG 92 ARG HE 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1385,1386,
&end
#
# 92 ARG QG 93 GLY H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1385,1386,
&end
#
# 92 ARG QG 93 GLY QA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1385,1386,
igr2=1404,1405,
&end
#
# 93 GLY H 93 GLY QA 2.65
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2=1404,1405,
&end
#
# 93 GLY H 94 LYS H 3.61
&rst
ixpk= 0, nxpk= 0, iat=1402,1409, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 93 GLY H 94 LYS HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1402,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 GLY QA 94 LYS H 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1404,1405,
&end
#
# 93 GLY QA 94 LYS HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1404,1405,
&end
#
# 93 GLY QA 94 LYS HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1404,1405,
&end
#
# 93 GLY QA 94 LYS HG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1404,1405,
&end
#
# 94 LYS H 94 LYS HA 2.78
&rst
ixpk= 0, nxpk= 0, iat=1409,1411, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 94 LYS H 94 LYS QB 3.17
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1413,1414,
&end
#
# 94 LYS H 94 LYS HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1409,1416, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 94 LYS H 94 LYS HG3 3.49
&rst
ixpk= 0, nxpk= 0, iat=1409,1417, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 94 LYS H 94 LYS QE 5.49
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1422,1423,
&end
#
# 94 LYS H 95 ALA H 4.01
&rst
ixpk= 0, nxpk= 0, iat=1409,1431, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 94 LYS H 95 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1435,1436,1437,
&end
#
# 94 LYS HA 94 LYS QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1413,1414,
&end
#
# 94 LYS HA 94 LYS HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1411,1417, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 94 LYS HA 94 LYS QE 4.75
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1422,1423,
&end
#
# 94 LYS HB2 94 LYS QG 2.83
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1416,1417,
&end
#
# 94 LYS HB2 94 LYS QD 3.49
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1419,1420,
&end
#
# 94 LYS HB2 94 LYS QE 3.42
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1422,1423,
&end
#
# 94 LYS HB2 95 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1413,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 LYS HB2 95 ALA QB 3.91
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1435,1436,1437,
&end
#
# 94 LYS HB3 94 LYS QE 4.45
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1422,1423,
&end
#
# 94 LYS HG2 94 LYS QD 2.80
&rst
ixpk= 0, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1419,1420,
&end
#
# 94 LYS QD 94 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=1419,1420,
igr2=1422,1423,
&end
#
# 94 LYS QE 95 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1422,1423,
igr2=1435,1436,1437,
&end
#
# 95 ALA H 95 ALA QB 3.12
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1435,1436,1437,
&end
#
# 95 ALA H 96 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1443,1444,
&end
#
# 95 ALA H 97 VAL QQG 5.27
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 95 ALA HA 96 GLY QA 4.39
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1443,1444,
&end
#
# 95 ALA HA 97 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1433,1448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ALA HA 97 VAL QQG 5.42
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 95 ALA QB 96 GLY H 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1=1435,1436,1437,
&end
#
# 95 ALA QB 96 GLY QA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1435,1436,1437,
igr2=1443,1444,
&end
#
# 95 ALA QB 97 VAL H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1435,1436,1437,
&end
#
# 95 ALA QB 97 VAL HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1435,1436,1437,
&end
#
# 95 ALA QB 97 VAL QQG 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1435,1436,1437,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 96 GLY H 96 GLY QA 2.50
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1443,1444,
&end
#
# 96 GLY H 97 VAL H 2.98
&rst
ixpk= 0, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 96 GLY H 97 VAL HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=1441,1450, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 96 GLY H 97 VAL HB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1441,1452, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 96 GLY H 97 VAL QQG 4.37
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 96 GLY QA 97 VAL H 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1=1443,1444,
&end
#
# 96 GLY QA 97 VAL HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1443,1444,
&end
#
# 96 GLY QA 97 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1443,1444,
&end
#
# 96 GLY QA 97 VAL QQG 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1443,1444,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 96 GLY QA 98 LYS H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1443,1444,
&end
#
# 97 VAL H 97 VAL HA 2.93
&rst
ixpk= 0, nxpk= 0, iat=1448,1450, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 97 VAL H 97 VAL HB 2.79
&rst
ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 97 VAL H 97 VAL QQG 2.42
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 97 VAL H 98 LYS H 3.29
&rst
ixpk= 0, nxpk= 0, iat=1448,1464, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 97 VAL HA 97 VAL QQG 2.54
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1454,1455,1456,1458,1459,1460,
&end
#
# 97 VAL HA 98 LYS HA 4.78
&rst
ixpk= 0, nxpk= 0, iat=1450,1466, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 97 VAL HA 98 LYS HB2 5.70
&rst
ixpk= 0, nxpk= 0, iat=1450,1468, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 97 VAL HB 98 LYS H 3.15
&rst
ixpk= 0, nxpk= 0, iat=1452,1464, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 97 VAL HB 98 LYS HA 4.45
&rst
ixpk= 0, nxpk= 0, iat=1452,1466, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 97 VAL QQG 98 LYS H 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1454,1455,1456,1458,1459,1460,
&end
#
# 97 VAL QQG 98 LYS HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1454,1455,1456,1458,1459,1460,
&end
#
# 97 VAL QQG 98 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1454,1455,1456,1458,1459,1460,
igr2=1477,1478,
&end
#
# 97 VAL QQG 98 LYS QG 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1454,1455,1456,1458,1459,1460,
igr2=1471,1472,
&end
#
# 98 LYS H 98 LYS HB2 2.70
&rst
ixpk= 0, nxpk= 0, iat=1464,1468, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 98 LYS H 98 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1477,1478,
&end
#
# 98 LYS H 98 LYS QG 3.74
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1471,1472,
&end
#
# 98 LYS HA 98 LYS QD 3.34
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1474,1475,
&end
#
# 98 LYS HA 98 LYS QE 4.40
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1477,1478,
&end
#
# 98 LYS HA 98 LYS QG 3.29
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1471,1472,
&end
#
# 98 LYS HA 99 ARG H 2.84
&rst
ixpk= 0, nxpk= 0, iat=1466,1486, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 98 LYS HB2 98 LYS QE 4.36
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1477,1478,
&end
#
# 98 LYS HB3 98 LYS QD 3.38
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1474,1475,
&end
#
# 98 LYS HB3 99 ARG H 2.76
&rst
ixpk= 0, nxpk= 0, iat=1469,1486, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 98 LYS QD 98 LYS QE 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1=1474,1475,
igr2=1477,1478,
&end
#
# 98 LYS QD 99 ARG H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1474,1475,
&end
#
# 98 LYS QE 104 MET QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1477,1478,
igr2=1567,1568,1569,
&end
#
# 98 LYS QG 98 LYS QD 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1471,1472,
igr2=1474,1475,
&end
#
# 98 LYS QG 98 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=1471,1472,
igr2=1477,1478,
&end
#
# 98 LYS QG 99 ARG H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1471,1472,
&end
#
# 99 ARG H 99 ARG QD 3.91
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1496,1497,
&end
#
# 99 ARG H 99 ARG QG 4.73
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1493,1494,
&end
#
# 99 ARG HA 100 SER H 2.82
&rst
ixpk= 0, nxpk= 0, iat=1488,1510, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 99 ARG HA 99 ARG HB2 2.98
&rst
ixpk= 0, nxpk= 0, iat=1488,1490, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 99 ARG HA 99 ARG QD 3.36
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1496,1497,
&end
#
# 99 ARG HA 99 ARG QG 3.49
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1493,1494,
&end
#
# 99 ARG HB2 104 MET QE 3.50
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1567,1568,1569,
&end
#
# 99 ARG HB2 104 MET QG 5.49
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1563,1564,
&end
#
# 99 ARG HB2 99 ARG QD 3.28
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1496,1497,
&end
#
# 99 ARG HB2 99 ARG QG 2.76
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2=1493,1494,
&end
#
# 99 ARG HB3 100 SER H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1491,1510, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 99 ARG HB3 100 SER HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=1491,1512, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 99 ARG HB3 101 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1491,1523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HB3 103 GLU HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1491,1545, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 99 ARG HB3 103 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1548,1549,
&end
#
# 99 ARG HB3 104 MET HA 3.32
&rst
ixpk= 0, nxpk= 0, iat=1491,1558, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 99 ARG HB3 104 MET QE 3.15
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1567,1568,1569,
&end
#
# 99 ARG HB3 99 ARG QD 3.28
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1496,1497,
&end
#
# 99 ARG HB3 99 ARG QG 2.86
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1493,1494,
&end
#
# 99 ARG QD 100 SER H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1496,1497,
&end
#
# 99 ARG QD 104 MET QE 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1496,1497,
igr2=1567,1568,1569,
&end
#
# 99 ARG QG 100 SER H 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1493,1494,
&end
#
# 99 ARG QG 103 GLU QG 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1493,1494,
igr2=1548,1549,
&end
#
# 99 ARG QG 104 MET QE 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1493,1494,
igr2=1567,1568,1569,
&end
#
# 99 ARG QG 99 ARG QD 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1493,1494,
igr2=1496,1497,
&end
#
# 100 SER H 100 SER QB 3.91
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1514,1515,
&end
#
# 100 SER H 101 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1510,1523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 SER H 102 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1535,1536,1537,
&end
#
# 100 SER H 103 GLU H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1510,1541, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 100 SER H 103 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1510,1543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 SER H 103 GLU QG 4.78
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1548,1549,
&end
#
# 100 SER HA 100 SER QB 2.82
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2=1514,1515,
&end
#
# 100 SER HA 101 ALA H 2.65
&rst
ixpk= 0, nxpk= 0, iat=1512,1521, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 100 SER HA 101 ALA HA 4.43
&rst
ixpk= 0, nxpk= 0, iat=1512,1523, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 100 SER HA 101 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1525,1526,1527,
&end
#
# 100 SER QB 101 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1514,1515,
&end
#
# 100 SER QB 101 ALA QB 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1514,1515,
igr2=1525,1526,1527,
&end
#
# 100 SER QB 102 ALA H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1514,1515,
&end
#
# 100 SER QB 102 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1514,1515,
&end
#
# 100 SER QB 102 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=1514,1515,
igr2=1535,1536,1537,
&end
#
# 100 SER QB 103 GLU H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1514,1515,
&end
#
# 100 SER QB 103 GLU HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1514,1515,
&end
#
# 100 SER QB 103 GLU QG 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1514,1515,
igr2=1548,1549,
&end
#
# 100 SER QB 104 MET HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1514,1515,
&end
#
# 101 ALA H 101 ALA QB 2.73
&rst
ixpk= 0, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1525,1526,1527,
&end
#
# 101 ALA H 102 ALA H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1521,1531, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 101 ALA H 103 GLU H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1521,1541, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 101 ALA HA 103 GLU H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1523,1541, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 101 ALA HA 104 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1523,1556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ALA HA 104 MET QB 3.86
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1560,1561,
&end
#
# 101 ALA HA 104 MET QE 4.91
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1567,1568,1569,
&end
#
# 101 ALA HA 104 MET QG 4.68
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1563,1564,
&end
#
# 101 ALA QB 102 ALA H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1525,1526,1527,
&end
#
# 101 ALA QB 103 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1525,1526,1527,
&end
#
# 101 ALA QB 104 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1525,1526,1527,
&end
#
# 101 ALA QB 104 MET QG 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1525,1526,1527,
igr2=1563,1564,
&end
#
# 102 ALA H 102 ALA QB 2.40
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1535,1536,1537,
&end
#
# 102 ALA H 103 GLU HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1531,1545, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 102 ALA H 103 GLU QG 5.05
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1548,1549,
&end
#
# 102 ALA HA 104 MET H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1533,1556, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 102 ALA QB 103 GLU H 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1=1535,1536,1537,
&end
#
# 102 ALA QB 103 GLU HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1535,1536,1537,
&end
#
# 102 ALA QB 103 GLU QG 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1535,1536,1537,
igr2=1548,1549,
&end
#
# 102 ALA QB 104 MET H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1535,1536,1537,
&end
#
# 103 GLU H 103 GLU HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat=1541,1545, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 103 GLU H 103 GLU HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1541,1546, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 103 GLU H 103 GLU QG 3.14
&rst
ixpk= 0, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1548,1549,
&end
#
# 103 GLU HA 103 GLU QG 3.09
&rst
ixpk= 0, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1548,1549,
&end
#
# 103 GLU HA 104 MET H 3.16
&rst
ixpk= 0, nxpk= 0, iat=1543,1556, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 103 GLU HB2 103 GLU QG 2.57
&rst
ixpk= 0, nxpk= 0, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1548,1549,
&end
#
# 103 GLU HB2 104 MET H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1556, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 GLU HB2 104 MET HA 5.35
&rst
ixpk= 0, nxpk= 0, iat=1545,1558, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 103 GLU HB3 103 GLU QG 2.73
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2=1548,1549,
&end
#
# 103 GLU QG 104 MET H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1548,1549,
&end
#
# 104 MET H 104 MET HA 2.91
&rst
ixpk= 0, nxpk= 0, iat=1556,1558, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 104 MET H 104 MET QB 2.77
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1560,1561,
&end
#
# 104 MET H 104 MET QG 4.39
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1563,1564,
&end
#
# 104 MET HA 104 MET QB 2.74
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2=1560,1561,
&end
#
# 104 MET HA 104 MET QE 3.87
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1567,1568,1569,
&end
#
# 104 MET HA 104 MET QG 3.78
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1563,1564,
&end
#
# 104 MET HA 105 TYR HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=1558,1575, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 104 MET HA 105 TYR QD 4.99
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1581,1590,
&end
#
# 104 MET QB 104 MET QE 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1560,1561,
igr2=1567,1568,1569,
&end
#
# 104 MET QB 105 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1560,1561,
&end
#
# 104 MET QB 105 TYR QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1560,1561,
igr2=1581,1590,
&end
#
# 104 MET QB 105 TYR QE 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1560,1561,
igr2=1583,1588,
&end
#
# 104 MET QB 106 GLY H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1560,1561,
&end
#
# 104 MET QE 105 TYR H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1567,1568,1569,
&end
#
# 104 MET QE 105 TYR QD 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1567,1568,1569,
igr2=1581,1590,
&end
#
# 104 MET QE 105 TYR QE 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1567,1568,1569,
igr2=1583,1588,
&end
#
# 104 MET QG 104 MET QE 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1563,1564,
igr2=1567,1568,1569,
&end
#
# 105 TYR H 105 TYR HB2 2.99
&rst
ixpk= 0, nxpk= 0, iat=1573,1577, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 105 TYR H 105 TYR HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1573,1578, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 105 TYR H 105 TYR QD 3.48
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1581,1590,
&end
#
# 105 TYR H 106 GLY H 2.91
&rst
ixpk= 0, nxpk= 0, iat=1573,1594, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 105 TYR H 106 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1596,1597,
&end
#
# 105 TYR HA 105 TYR HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat=1575,1578, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 105 TYR HA 105 TYR QD 3.19
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1581,1590,
&end
#
# 105 TYR HA 105 TYR QE 4.90
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1583,1588,
&end
#
# 105 TYR HB2 106 GLY H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1577,1594, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 105 TYR HB3 106 GLY H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1578,1594, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 105 TYR QD 106 GLY H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1581,1590,
&end
#
# 105 TYR QD 106 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=1581,1590,
igr2=1596,1597,
&end
#
# 19 PHE HB2 83 ASN H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 266,1244, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 19 PHE HB2 83 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
#
# 19 PHE QE 52 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
#
# 34 GLU QB 38 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
#
# 42 LYS H 62 ASN HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 628, 953, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 42 LYS H 62 ASN HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 628, 954, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 47 SER HB2 49 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 VAL HB 49 HIS HD2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 718, 743, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 49 HIS H 52 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
#
# 49 HIS HB2 51 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
#
# 49 HIS HB2 52 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
#
# 49 HIS HB2 52 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
#
# 49 HIS HB2 53 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
#
# 49 HIS HB3 52 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
#
# 49 HIS HB3 52 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
#
# 54 PHE QD 55 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
#
# 83 ASN HD21 87 GLU HA 4.80
&rst
ixpk= 0, nxpk= 0, iat=1254,1299, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 19 PHE QE 109 URA H1' 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
rk2=50, rk3=50, ir6=1, ialtd=0,
igr1= 272, 276,
&end
#
# 19 PHE HZ 109 URA H1' 3.40
&rst
ixpk= 0, nxpk= 0, iat= 274,1673, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 19 PHE HZ 109 URA H2' 4.70
&rst
ixpk= 0, nxpk= 0, iat= 274,1688, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 19 PHE HZ 109 URA H3' 5.60
&rst
ixpk= 0, nxpk= 0, iat= 274,1686, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 19 PHE HZ 109 URA H4' 4.70
&rst
ixpk= 0, nxpk= 0, iat= 274,1670, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 19 PHE HZ 109 URA H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274,1676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE QE 110 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 272, 276,
&end
#
# 19 PHE QD 110 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 270, 278,
&end
#
# 54 PHE HZ 110 URA H1' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 818,1703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 PHE QE 110 URA H3' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 272, 276,
&end
#
# 19 PHE QE 110 URA H4' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 272, 276,
&end
#
# 52 PHE QR 110 URA H4' 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 784, 792, 786, 790,
&end
#
# 54 PHE HZ 110 URA H4' 4.70
&rst
ixpk= 0, nxpk= 0, iat= 818,1700, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 19 PHE HZ 110 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274,1708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 HIS HE1 111 URA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 739,1733, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 PHE HB2 111 URA H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 810,1733, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 54 PHE HB3 111 URA H1' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 811,1733, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 49 HIS HE1 111 URA H3' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 739,1746, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 52 PHE QR 111 URA H4' 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 784, 792, 786, 790,
&end
#
# 54 PHE QR 111 URA H4' 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 814, 822, 816, 820,
&end
#
# 49 HIS HE1 111 URA H4' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 739,1730, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 52 PHE QR 111 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=1727,1728,
&end
#
# 54 PHE HZ 111 URA H5 4.30
&rst
ixpk= 0, nxpk= 0, iat= 818,1738, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 52 PHE QR 111 URA H6 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 784, 792, 786, 790,
&end
#
# 54 PHE QD 111 URA H6 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 814, 822,
&end
#
# 49 HIS HE1 112 URA H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 739,1763, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 HIS HE1 112 URA H2' 5.40
&rst
ixpk= 0, nxpk= 0, iat= 739,1778, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 49 HIS HE1 112 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 739,1760, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 49 HIS HE1 112 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=1757,1758,
&end
#
# 49 HIS HE1 112 URA H5 4.60
&rst
ixpk= 0, nxpk= 0, iat= 739,1768, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 49 HIS HE1 112 URA H6 4.30
&rst
ixpk= 0, nxpk= 0, iat= 739,1766, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 109 URA Q5' 109 URA H1' 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1667,1668,
&end
#
# 109 URA H1' 110 URA H6 5.10
&rst
ixpk= 0, nxpk= 0, iat=1673,1706, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 109 URA H2' 109 URA H5 4.20
&rst
ixpk= 0, nxpk= 0, iat=1688,1678, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 109 URA H2' 109 URA H6 2.60
&rst
ixpk= 0, nxpk= 0, iat=1688,1676, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 109 URA H3' 109 URA H6 4.10
&rst
ixpk= 0, nxpk= 0, iat=1686,1676, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 109 URA Q5' 109 URA H6 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1667,1668,
&end
#
# 110 URA H1' 111 URA H2' 5.30
&rst
ixpk= 0, nxpk= 0, iat=1703,1748, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 110 URA H1' 111 URA H5 2.50
&rst
ixpk= 0, nxpk= 0, iat=1703,1738, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 110 URA H1' 111 URA H6 3.30
&rst
ixpk= 0, nxpk= 0, iat=1703,1736, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 110 URA H2' 110 URA H6 3.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1706, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 URA H2' 111 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat=1718,1738, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 110 URA H3' 110 URA H6 4.20
&rst
ixpk= 0, nxpk= 0, iat=1716,1706, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 110 URA H3' 111 URA H6 4.60
&rst
ixpk= 0, nxpk= 0, iat=1716,1736, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 110 URA H4' 111 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat=1700,1730, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 110 URA H4' 111 URA Q5' 3.40
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1727,1728,
&end
#
# 110 URA H4' 111 URA H5 4.60
&rst
ixpk= 0, nxpk= 0, iat=1700,1738, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 110 URA H4' 111 URA H6 4.60
&rst
ixpk= 0, nxpk= 0, iat=1700,1736, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 110 URA Q5' 110 URA H6 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1697,1698,
&end
#
# 111 URA Q5' 111 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1727,1728,
&end
#
# 111 URA H1' 112 URA H5 2.90
&rst
ixpk= 0, nxpk= 0, iat=1733,1768, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 111 URA H1' 112 URA H6 3.50
&rst
ixpk= 0, nxpk= 0, iat=1733,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 URA H2' 111 URA H5 4.40
&rst
ixpk= 0, nxpk= 0, iat=1748,1738, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 111 URA H2' 112 URA H5 4.65
&rst
ixpk= 0, nxpk= 0, iat=1748,1768, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 111 URA H3' 111 URA H6 3.90
&rst
ixpk= 0, nxpk= 0, iat=1746,1736, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 111 URA Q5' 111 URA H6 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1727,1728,
&end
#
# 112 URA H2' 112 URA H6 3.20
&rst
ixpk= 0, nxpk= 0, iat=1778,1766, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 112 URA Q5' 112 URA H6 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1757,1758,
&end
#
# 21 GLY HA2 109 URA H1' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 303,1673, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 21 GLY HA3 109 URA H1' 4.40
&rst
ixpk= 0, nxpk= 0, iat= 304,1673, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 ASN HA 109 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 310,1673, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 52 PHE HA 109 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 778,1673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 52 PHE HB2 109 URA H1' 5.40
&rst
ixpk= 0, nxpk= 0, iat= 780,1673, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 52 PHE HB3 109 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 781,1673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 81 ASP QB 109 URA H1' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1217,1218,
&end
#
# 92 ARG QB 109 URA H1' 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1382,1383,
&end
#
# 92 ARG QD 109 URA H1' 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1388,1389,
&end
#
# 92 ARG QG 109 URA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1385,1386,
&end
#
# 21 GLY HA2 109 URA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 GLY HA3 109 URA H2' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 304,1688, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 22 ASN HA 109 URA H2' 5.20
&rst
ixpk= 0, nxpk= 0, iat= 310,1688, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 ASN QB 109 URA H2' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 312, 313,
&end
#
# 92 ARG QD 109 URA H2' 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1388,1389,
&end
#
# 92 ARG QG 109 URA H2' 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1385,1386,
&end
#
# 94 LYS HA 109 URA H2' 4.90
&rst
ixpk= 0, nxpk= 0, iat=1411,1688, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 94 LYS QB 109 URA H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1413,1414,
&end
#
# 21 GLY HA2 109 URA H4' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 303,1670, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 21 GLY HA3 109 URA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 304,1670, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 PHE HA 109 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 778,1670, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 52 PHE HB2 109 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 780,1670, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 52 PHE HB3 109 URA H4' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 781,1670, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 52 PHE HB3 109 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=1667,1668,
&end
#
# 94 LYS QD 109 URA Q5' 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1419,1420,
igr2=1667,1668,
&end
#
# 22 ASN HA 109 URA H5 4.60
&rst
ixpk= 0, nxpk= 0, iat= 310,1678, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 22 ASN QB 109 URA H5 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 312, 313,
&end
#
# 81 ASP HB2 109 URA H5 5.30
&rst
ixpk= 0, nxpk= 0, iat=1217,1678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 81 ASP HB3 109 URA H5 5.70
&rst
ixpk= 0, nxpk= 0, iat=1218,1678, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 92 ARG QG 109 URA H5 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1385,1386,
&end
#
# 93 GLY QA 109 URA H5 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1404,1405,
&end
#
# 94 LYS HA 109 URA H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=1411,1678, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 LYS QB 109 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1413,1414,
&end
#
# 94 LYS QG 109 URA H5 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1416,1417,
&end
#
# 95 ALA HA 109 URA H5 4.40
&rst
ixpk= 0, nxpk= 0, iat=1433,1678, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 95 ALA QB 109 URA H5 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1435,1436,1437,
&end
#
# 21 GLY HA2 109 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat= 303,1676, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 22 ASN HA 109 URA H6 4.50
&rst
ixpk= 0, nxpk= 0, iat= 310,1676, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ASN HB2 109 URA H6 5.30
&rst
ixpk= 0, nxpk= 0, iat= 312,1676, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 22 ASN HB3 109 URA H6 5.20
&rst
ixpk= 0, nxpk= 0, iat= 313,1676, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 93 GLY QA 109 URA H6 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1404,1405,
&end
#
# 94 LYS HA 109 URA H6 4.70
&rst
ixpk= 0, nxpk= 0, iat=1411,1676, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 94 LYS QB 109 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1413,1414,
&end
#
# 94 LYS QD 109 URA H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1419,1420,
&end
#
# 95 ALA HA 109 URA H6 5.20
&rst
ixpk= 0, nxpk= 0, iat=1433,1676, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 14 MET QE 110 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 191, 192, 193,
&end
#
# 19 PHE HA 110 URA H1' 6.20
&rst
ixpk= 0, nxpk= 0, iat= 264,1703, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 85 ALA HA 110 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat=1279,1703, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 85 ALA QB 110 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1281,1282,1283,
&end
#
# 92 ARG QD 110 URA H1' 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1388,1389,
&end
#
# 92 ARG QD 110 URA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1389,
&end
#
# 92 ARG QD 110 URA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1388,1389,
&end
#
# 52 PHE HB2 110 URA H4' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 780,1700, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 52 PHE HB3 110 URA H4' 5.80
&rst
ixpk= 0, nxpk= 0, iat= 781,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 88 PRO HA 110 URA H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=1322,1708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 ARG QD 110 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1708, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1388,1389,
&end
#
# 52 PHE HA 110 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=1697,1698,
&end
#
# 52 PHE HB2 110 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=1697,1698,
&end
#
# 52 PHE HB3 110 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=1697,1698,
&end
#
# 88 PRO HB3 110 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat=1320,1706, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 88 PRO HB2 110 URA H6 5.90
&rst
ixpk= 0, nxpk= 0, iat=1319,1706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 88 PRO HG3 110 URA H6 5.90
&rst
ixpk= 0, nxpk= 0, iat=1317,1706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 92 ARG QD 110 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1388,1389,
&end
#
# 7 ASN HA 111 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 71,1733, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 7 ASN HB2 111 URA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 73,1733, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 ASN HB3 111 URA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 74,1733, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 9 THR QG2 111 URA H5 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 111, 112, 113,
&end
#
# 14 MET QE 111 URA H5 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 191, 192, 193,
&end
#
# 85 ALA QB 111 URA H5 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1281,1282,1283,
&end
#
# 7 ASN HA 111 URA H6 6.20
&rst
ixpk= 0, nxpk= 0, iat= 71,1736, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 4 ASN HA 112 URA H1' 5.70
&rst
ixpk= 0, nxpk= 0, iat= 27,1763, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 4 ASN QB 112 URA H1' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 29, 30,
&end
#
# 4 ASN QD2 112 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 34, 35,
&end
#
# 5 VAL QQG 112 URA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 6 THR QG2 112 URA H1' 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 61, 62, 63,
&end
#
# 47 SER HA 112 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 705,1763, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 47 SER HB2 112 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 707,1763, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 47 SER HB3 112 URA H1' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 708,1763, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 5 VAL QQG 112 URA H2' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 49 HIS HA 112 URA H4' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 732,1760, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 49 HIS HA 112 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=1757,1758,
&end
#
# 49 HIS QB 112 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=1757,1758,
&end
#
# 5 VAL QQG 112 URA H5 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 6 THR QG2 112 URA H5 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 61, 62, 63,
&end
#
# 7 ASN HA 112 URA H5 4.30
&rst
ixpk= 0, nxpk= 0, iat= 71,1768, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 ASN HB2 112 URA H5 4.20
&rst
ixpk= 0, nxpk= 0, iat= 73,1768, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 7 ASN HB3 112 URA H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 74,1768, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 VAL QQG 112 URA H6 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 45, 46, 47, 49, 50, 51,
&end
#
# 7 ASN HB2 112 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat= 73,1766, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 7 ASN HB3 112 URA H6 5.60
&rst
ixpk= 0, nxpk= 0, iat= 74,1766, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 14 MET QE 110 URA H3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 191, 192, 193,
&end
#
# 19 PHE HB2 110 URA H3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 266,1712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE QD 110 URA H3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 270, 278,
&end
#
# 85 ALA HA 110 URA H3 3.20
&rst
ixpk= 0, nxpk= 0, iat=1279,1712, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 85 ALA QB 110 URA H3 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1281,1282,1283,
&end
#
# 86 ALA HA 110 URA H3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1289,1712, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 ALA QB 110 URA H3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1291,1292,1293,
&end
#
# 88 PRO QB 110 URA H3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1319,1320,
&end
#
# 88 PRO QG 110 URA H3 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1316,1317,
&end
#
# 7 ASN H 112 URA H5 5.30
&rst
ixpk= 0, nxpk= 0, iat= 69,1768, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 7 ASN HD21 112 URA H5 4.70
&rst
ixpk= 0, nxpk= 0, iat= 79,1768, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 7 ASN HD22 111 URA H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 78,1733, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 ASN HD22 112 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat= 78,1768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 21 GLY H 109 URA H1' 5.80
&rst
ixpk= 0, nxpk= 0, iat= 301,1673, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 22 ASN H 109 URA H1' 5.20
&rst
ixpk= 0, nxpk= 0, iat= 308,1673, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 ASN HD21 109 URA H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= 318,1678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 ARG HE 110 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat=1391,1706, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 95 ALA H 109 URA H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=1431,1678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 LEU QD2 107 RADE H1' 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 382, 383, 384,
&end
#
# 26 LEU QD1 107 RADE H1' 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 378, 379, 380,
&end
#
# 50 LYS QE 107 RADE H1' 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 760, 761,
&end
#
# 50 LYS QD 107 RADE H2' 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 757, 758,
&end
#
# 50 LYS QE 107 RADE H2' 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 760, 761,
&end
#
# 50 LYS QD 107 RADE H3' 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 757, 758,
&end
#
# 26 LEU QD1 107 RADE H3' 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 378, 379, 380,
&end
#
# 50 LYS QE 107 RADE H3' 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 760, 761,
&end
#
# 26 LEU QD2 107 RADE Q5' 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 382, 383, 384,
igr2=1604,1605,
&end
#
# 26 LEU QD1 107 RADE Q5' 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 378, 379, 380,
igr2=1604,1605,
&end
#
# 26 LEU HA 107 RADE H8 5.38
&rst
ixpk= 0, nxpk= 0, iat= 371,1613, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 26 LEU QD2 107 RADE H8 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 382, 383, 384,
&end
#
# 26 LEU QD1 107 RADE H8 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 378, 379, 380,
&end
#
# 26 LEU HG 107 RADE H8 5.38
&rst
ixpk= 0, nxpk= 0, iat= 376,1613, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 50 LYS QD 107 RADE H8 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 757, 758,
&end
#
# 50 LYS QE 107 RADE H8 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 760, 761,
&end
#
# 25 THR QG2 108 URA H1' 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 361, 362, 363,
&end
#
# 51 GLY HA3 108 URA H1' 5.43
&rst
ixpk= 0, nxpk= 0, iat= 772,1643, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 26 LEU QD2 108 URA H2' 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 382, 383, 384,
&end
#
# 50 LYS QB 108 URA H4' 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 751, 752,
&end
#
# 50 LYS QG 108 URA H4' 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 754, 755,
&end
#
# 50 LYS QD 108 URA Q5' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 757, 758,
igr2=1637,1638,
&end
#
# 26 LEU QD2 108 URA H5 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 382, 383, 384,
&end
#
# 26 LEU QD1 108 URA H5 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 378, 379, 380,
&end
#
# 25 THR QG2 108 URA H6 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 361, 362, 363,
&end
#
# 26 LEU QD2 108 URA H6 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 382, 383, 384,
&end
#
# 26 LEU QD1 108 URA H6 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 378, 379, 380,
&end
#
# 26 LEU HG 108 URA H6 5.36
&rst
ixpk= 0, nxpk= 0, iat= 376,1646, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 107 RADE H1' 107 RADE H5' 5.09
&rst
ixpk= 0, nxpk= 0, iat=1610,1604, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 107 RADE H1' 107 RADE H8 3.05
&rst
ixpk= 0, nxpk= 0, iat=1610,1613, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 107 RADE H1' 108 URA H6 5.27
&rst
ixpk= 0, nxpk= 0, iat=1610,1646, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 107 RADE H2' 107 RADE H8 4.41
&rst
ixpk= 0, nxpk= 0, iat=1628,1613, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 107 RADE H2' 108 URA H5 5.81
&rst
ixpk= 0, nxpk= 0, iat=1628,1648, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 107 RADE H3' 107 RADE H8 5.48
&rst
ixpk= 0, nxpk= 0, iat=1626,1613, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 107 RADE H3' 108 URA H2' 5.12
&rst
ixpk= 0, nxpk= 0, iat=1626,1658, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 107 RADE H3' 108 URA H5 5.41
&rst
ixpk= 0, nxpk= 0, iat=1626,1648, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 107 RADE H3' 108 URA H6 5.08
&rst
ixpk= 0, nxpk= 0, iat=1626,1646, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 107 RADE H4' 108 URA H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=1607,1648, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 RADE H4' 108 URA H6 4.91
&rst
ixpk= 0, nxpk= 0, iat=1607,1646, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 107 RADE Q5' 108 URA H5 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1604,1605,
&end
#
# 107 RADE Q5' 108 URA H6 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1604,1605,
&end
#
# 107 RADE H8 108 URA H5 5.90
&rst
ixpk= 0, nxpk= 0, iat=1613,1648, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 107 RADE H8 108 URA H6 5.90
&rst
ixpk= 0, nxpk= 0, iat=1613,1646, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 108 URA H1' 108 URA H6 4.76
&rst
ixpk= 0, nxpk= 0, iat=1643,1646, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 108 URA H2' 108 URA H5 4.30
&rst
ixpk= 0, nxpk= 0, iat=1658,1648, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 108 URA H2' 108 URA H6 3.85
&rst
ixpk= 0, nxpk= 0, iat=1658,1646, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 108 URA H3' 108 URA H6 5.08
&rst
ixpk= 0, nxpk= 0, iat=1656,1646, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 108 URA H5' 108 URA H6 5.10
&rst
ixpk= 0, nxpk= 0, iat=1637,1646, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
Contact the webmaster for help, if required. Monday, May 13, 2024 10:58:16 AM GMT (wattos1)