NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492085 |
2k1r   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 1 MET HA 1 MET QG 3.91
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
igr2= 11, 12,
&end
#
# 1 MET HG2 2 GLY HA3 6.78
&rst
ixpk= 0, nxpk= 0, iat= 11, 24, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 1 MET HG2 2 GLY HA3 6.78
&rst
ixpk= 0, nxpk= 0, iat= 11, 24, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 1 MET HG3 2 GLY HA3 6.78
&rst
ixpk= 0, nxpk= 0, iat= 12, 24, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 1 MET HG3 2 GLY HA3 6.78
&rst
ixpk= 0, nxpk= 0, iat= 12, 24, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 1 MET QG 2 GLY HN 6.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 11, 12,
&end
#
# 1 MET QG 2 GLY QA 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 11, 12,
igr2= 23, 24,
&end
#
# 1 MET QG 51 LYS HN 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 11, 12,
&end
#
# 1 MET QG 51 LYS HA 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 11, 12,
&end
#
# 2 GLY HN 50 PRO QG 3.78
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 752, 753,
&end
#
# 2 GLY HN 51 LYS HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 21, 762, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 2 GLY QA 3 VAL QQG 7.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47,
igr1= 23, 24,
igr2= 34, 35, 36, 38, 39, 40,
&end
#
# 2 GLY QA 50 PRO QG 6.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 23, 24,
igr2= 752, 753,
&end
#
# 3 VAL HN 3 VAL QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 34, 35, 36,
&end
#
# 3 VAL HN 3 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 38, 39, 40,
&end
#
# 3 VAL HN 3 VAL QQG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 34, 35, 36, 38, 39, 40,
&end
#
# 3 VAL HA 47 ILE QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 702, 703, 704,
&end
#
# 3 VAL HA 48 TYR HN 5.74
&rst
ixpk= 0, nxpk= 0, iat= 30, 715, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 3 VAL HA 50 PRO QG 5.39
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 752, 753,
&end
#
# 3 VAL HA 50 PRO HD2 5.54
&rst
ixpk= 0, nxpk= 0, iat= 30, 749, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 3 VAL HA 50 PRO HD3 5.54
&rst
ixpk= 0, nxpk= 0, iat= 30, 750, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 3 VAL HA 50 PRO QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 749, 750,
&end
#
# 3 VAL HB 4 ASN HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 32, 44, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 3 VAL HB 47 ILE QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 702, 703, 704,
&end
#
# 3 VAL HB 47 ILE QG1 6.24
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 706, 707,
&end
#
# 3 VAL HB 47 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 709, 710, 711,
&end
#
# 3 VAL QG1 4 ASN HN 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 34, 35, 36,
&end
#
# 3 VAL QG1 47 ILE QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 34, 35, 36,
igr2= 709, 710, 711,
&end
#
# 3 VAL QG1 50 PRO HD2 8.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1= 34, 35, 36,
&end
#
# 3 VAL QG1 50 PRO HD3 8.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1= 34, 35, 36,
&end
#
# 3 VAL QG2 4 ASN HN 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 38, 39, 40,
&end
#
# 3 VAL QG2 47 ILE QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 38, 39, 40,
igr2= 709, 710, 711,
&end
#
# 3 VAL QG2 50 PRO HD2 8.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1= 38, 39, 40,
&end
#
# 3 VAL QG2 50 PRO HD3 8.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1= 38, 39, 40,
&end
#
# 3 VAL QQG 4 ASN HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 34, 35, 36, 38, 39, 40,
&end
#
# 3 VAL QQG 5 SER HN 7.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 34, 35, 36, 38, 39, 40,
&end
#
# 3 VAL QQG 33 HIS QB 6.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
igr1= 34, 35, 36, 38, 39, 40,
igr2= 470, 471,
&end
#
# 3 VAL QQG 47 ILE HA 7.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
igr1= 34, 35, 36, 38, 39, 40,
&end
#
# 3 VAL QQG 47 ILE QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 34, 35, 36, 38, 39, 40,
igr2= 702, 703, 704,
&end
#
# 3 VAL QQG 47 ILE QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 34, 35, 36, 38, 39, 40,
igr2= 709, 710, 711,
&end
#
# 3 VAL QQG 50 PRO QD 7.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.71, r4=11.21,
igr1= 34, 35, 36, 38, 39, 40,
igr2= 749, 750,
&end
#
# 4 ASN HN 4 ASN QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 48, 49,
&end
#
# 4 ASN HN 5 SER HN 5.75
&rst
ixpk= 0, nxpk= 0, iat= 44, 58, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 4 ASN HN 47 ILE QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 702, 703, 704,
&end
#
# 4 ASN HN 48 TYR HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 44, 715, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 4 ASN HN 49 ASP HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 44, 738, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 4 ASN HN 50 PRO HD2 5.59
&rst
ixpk= 0, nxpk= 0, iat= 44, 749, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 4 ASN HN 50 PRO HD3 5.59
&rst
ixpk= 0, nxpk= 0, iat= 44, 750, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 4 ASN HN 50 PRO QD 5.38
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 749, 750,
&end
#
# 4 ASN HA 5 SER QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 62, 63,
&end
#
# 4 ASN HB2 5 SER HN 5.99
&rst
ixpk= 0, nxpk= 0, iat= 48, 58, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 4 ASN HB2 48 TYR QD 6.15
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 723, 732,
&end
#
# 4 ASN HB2 48 TYR QE 5.56
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 725, 730,
&end
#
# 4 ASN HB3 5 SER HN 5.99
&rst
ixpk= 0, nxpk= 0, iat= 49, 58, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 4 ASN HB3 48 TYR QD 6.15
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 723, 732,
&end
#
# 4 ASN HB3 48 TYR QE 5.56
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 725, 730,
&end
#
# 4 ASN QB 5 SER HA 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 48, 49,
&end
#
# 4 ASN QB 48 TYR QD 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 48, 49,
igr2= 723, 732,
&end
#
# 4 ASN QB 48 TYR QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 48, 49,
igr2= 725, 730,
&end
#
# 5 SER HN 5 SER QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 62, 63,
&end
#
# 5 SER HN 6 VAL HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 58, 69, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 5 SER HN 6 VAL QQG 7.32
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 9.87, r4=10.37,
igr2= 75, 76, 77, 79, 80, 81,
&end
#
# 5 SER HN 47 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 58, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 5 SER HA 6 VAL HB 5.95
&rst
ixpk= 0, nxpk= 0, iat= 60, 73, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 5 SER HA 6 VAL QG1 5.90
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 75, 76, 77,
&end
#
# 5 SER HA 6 VAL QG2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 79, 80, 81,
&end
#
# 5 SER HA 6 VAL QQG 5.05
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 75, 76, 77, 79, 80, 81,
&end
#
# 5 SER HA 47 ILE HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= 60, 698, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 5 SER HA 47 ILE QG2 5.51
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 702, 703, 704,
&end
#
# 5 SER HA 48 TYR HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 60, 715, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 5 SER HA 48 TYR QD 5.94
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 723, 732,
&end
#
# 5 SER HA 48 TYR QE 5.54
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 725, 730,
&end
#
# 5 SER HB2 47 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 62, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 5 SER HB2 47 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 709, 710, 711,
&end
#
# 5 SER HB3 47 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 63, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 5 SER HB3 47 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 709, 710, 711,
&end
#
# 5 SER QB 46 ILE HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 62, 63,
&end
#
# 5 SER QB 47 ILE HA 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 62, 63,
&end
#
# 5 SER QB 47 ILE QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 62, 63,
igr2= 702, 703, 704,
&end
#
# 5 SER QB 47 ILE QG1 7.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 62, 63,
igr2= 706, 707,
&end
#
# 5 SER QB 47 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 62, 63,
igr2= 709, 710, 711,
&end
#
# 6 VAL HN 6 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 75, 76, 77,
&end
#
# 6 VAL HN 6 VAL QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 79, 80, 81,
&end
#
# 6 VAL HN 6 VAL QQG 3.78
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 75, 76, 77, 79, 80, 81,
&end
#
# 6 VAL HN 7 THR HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 69, 85, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 6 VAL HN 8 ILE QG1 7.03
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 109, 110,
&end
#
# 6 VAL HN 46 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 69, 677, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 6 VAL HN 46 ILE QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 683, 684, 685,
&end
#
# 6 VAL HN 47 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 69, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 6 VAL HN 48 TYR QE 5.70
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 725, 730,
&end
#
# 6 VAL HA 6 VAL QG1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 75, 76, 77,
&end
#
# 6 VAL HA 6 VAL QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 79, 80, 81,
&end
#
# 6 VAL HA 7 THR HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 71, 85, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 6 VAL HA 48 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 725, 730,
&end
#
# 6 VAL HA 73 ASN HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 71,1108, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 6 VAL HB 7 THR HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 73, 85, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 6 VAL HB 46 ILE QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 683, 684, 685,
&end
#
# 6 VAL HB 48 TYR QD 6.15
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 723, 732,
&end
#
# 6 VAL HB 48 TYR QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 725, 730,
&end
#
# 6 VAL QG1 7 THR HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 75, 76, 77,
&end
#
# 6 VAL QG1 8 ILE HG12 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 75, 76, 77,
&end
#
# 6 VAL QG1 8 ILE HG13 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 75, 76, 77,
&end
#
# 6 VAL QG1 48 TYR QE 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 75, 76, 77,
igr2= 725, 730,
&end
#
# 6 VAL QG2 7 THR HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 79, 80, 81,
&end
#
# 6 VAL QG2 8 ILE HG12 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 79, 80, 81,
&end
#
# 6 VAL QG2 8 ILE HG13 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 79, 80, 81,
&end
#
# 6 VAL QG2 48 TYR QE 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 79, 80, 81,
igr2= 725, 730,
&end
#
# 6 VAL QQG 7 THR HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 75, 76, 77, 79, 80, 81,
&end
#
# 6 VAL QQG 7 THR HA 6.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1= 75, 76, 77, 79, 80, 81,
&end
#
# 6 VAL QQG 8 ILE QG1 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 75, 76, 77, 79, 80, 81,
igr2= 109, 110,
&end
#
# 6 VAL QQG 8 ILE QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 75, 76, 77, 79, 80, 81,
igr2= 112, 113, 114,
&end
#
# 6 VAL QQG 48 TYR QD 6.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1= 75, 76, 77, 79, 80, 81,
igr2= 723, 732,
&end
#
# 6 VAL QQG 48 TYR QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 75, 76, 77, 79, 80, 81,
igr2= 725, 730,
&end
#
# 6 VAL QQG 55 PRO HA 6.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
igr1= 75, 76, 77, 79, 80, 81,
&end
#
# 6 VAL QQG 71 ILE HA 7.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 9.50, r4=10.00,
igr1= 75, 76, 77, 79, 80, 81,
&end
#
# 6 VAL QQG 71 ILE QG2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1= 75, 76, 77, 79, 80, 81,
igr2=1076,1077,1078,
&end
#
# 6 VAL QQG 71 ILE QG1 6.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 75, 76, 77, 79, 80, 81,
igr2=1080,1081,
&end
#
# 6 VAL QQG 73 ASN HA 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 75, 76, 77, 79, 80, 81,
&end
#
# 7 THR HN 7 THR HB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 85, 89, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 7 THR HN 7 THR QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 91, 92, 93,
&end
#
# 7 THR HN 8 ILE HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 85, 99, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 7 THR HN 8 ILE QG1 6.32
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 109, 110,
&end
#
# 7 THR HN 8 ILE QD1 6.03
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2= 112, 113, 114,
&end
#
# 7 THR HN 48 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 725, 730,
&end
#
# 7 THR HA 8 ILE HB 5.40
&rst
ixpk= 0, nxpk= 0, iat= 87, 103, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 7 THR HA 8 ILE QG1 6.03
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2= 109, 110,
&end
#
# 7 THR HA 44 ALA HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 87, 653, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 7 THR HA 44 ALA HA 5.82
&rst
ixpk= 0, nxpk= 0, iat= 87, 655, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 7 THR HA 45 THR HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 87, 665, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 7 THR HA 45 THR HB 5.55
&rst
ixpk= 0, nxpk= 0, iat= 87, 667, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 7 THR HA 46 ILE HN 5.97
&rst
ixpk= 0, nxpk= 0, iat= 87, 677, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 7 THR HB 8 ILE HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 89, 99, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 7 THR HB 43 ASN QB 6.87
&rst
ixpk= 0, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr2= 643, 644,
&end
#
# 7 THR QG2 8 ILE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 91, 92, 93,
&end
#
# 7 THR QG2 8 ILE HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 91, 92, 93,
&end
#
# 7 THR QG2 43 ASN HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 91, 92, 93,
&end
#
# 7 THR QG2 43 ASN QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 91, 92, 93,
igr2= 643, 644,
&end
#
# 7 THR QG2 43 ASN HD21 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 91, 92, 93,
&end
#
# 7 THR QG2 43 ASN HD22 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 91, 92, 93,
&end
#
# 7 THR QG2 43 ASN QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 91, 92, 93,
igr2= 648, 649,
&end
#
# 7 THR QG2 44 ALA HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 91, 92, 93,
&end
#
# 7 THR QG2 45 THR QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 91, 92, 93,
igr2= 669, 670, 671,
&end
#
# 7 THR QG2 72 HIS HN 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 91, 92, 93,
&end
#
# 8 ILE HN 8 ILE QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 105, 106, 107,
&end
#
# 8 ILE HN 8 ILE HG12 5.82
&rst
ixpk= 0, nxpk= 0, iat= 99, 109, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 8 ILE HN 8 ILE HG13 5.82
&rst
ixpk= 0, nxpk= 0, iat= 99, 110, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 8 ILE HN 8 ILE QG1 5.57
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 109, 110,
&end
#
# 8 ILE HN 8 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 112, 113, 114,
&end
#
# 8 ILE HN 44 ALA HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 99, 653, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 8 ILE HN 44 ALA HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 99, 655, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 8 ILE HN 72 HIS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 99,1089, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 8 ILE HN 72 HIS QB 5.88
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1093,1094,
&end
#
# 8 ILE HA 8 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 112, 113, 114,
&end
#
# 8 ILE HA 71 ILE HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= 101,1072, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 8 ILE HA 72 HIS HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 101,1089, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 8 ILE HA 72 HIS QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1093,1094,
&end
#
# 8 ILE HB 8 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 112, 113, 114,
&end
#
# 8 ILE HB 9 SER HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 103, 118, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 8 ILE HB 44 ALA HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 103, 653, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 8 ILE HB 44 ALA HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= 103, 655, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 8 ILE HB 44 ALA QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 657, 658, 659,
&end
#
# 8 ILE HB 69 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1048,1049,1050,
&end
#
# 8 ILE HB 71 ILE HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 103,1072, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 8 ILE QG2 8 ILE QD1 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 105, 106, 107,
igr2= 112, 113, 114,
&end
#
# 8 ILE QG2 9 SER HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 105, 106, 107,
&end
#
# 8 ILE QG2 10 VAL HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 105, 106, 107,
&end
#
# 8 ILE QG2 44 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= 105, 106, 107,
igr2= 657, 658, 659,
&end
#
# 8 ILE QG2 59 GLN HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 105, 106, 107,
&end
#
# 8 ILE QG2 59 GLN QG 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 105, 106, 107,
igr2= 910, 911,
&end
#
# 8 ILE QG2 62 ILE QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 105, 106, 107,
igr2= 955, 956,
&end
#
# 8 ILE QG2 69 ALA HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 105, 106, 107,
&end
#
# 8 ILE QG2 69 ALA QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 105, 106, 107,
igr2=1048,1049,1050,
&end
#
# 8 ILE QG2 70 VAL HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 105, 106, 107,
&end
#
# 8 ILE QG2 71 ILE HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 105, 106, 107,
&end
#
# 8 ILE HG12 71 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 109,1072, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 8 ILE HG12 71 ILE HG12 6.34
&rst
ixpk= 0, nxpk= 0, iat= 109,1080, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 8 ILE HG12 71 ILE HG13 6.34
&rst
ixpk= 0, nxpk= 0, iat= 109,1081, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 8 ILE HG13 71 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 110,1072, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 8 ILE HG13 71 ILE HG12 6.34
&rst
ixpk= 0, nxpk= 0, iat= 110,1080, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 8 ILE HG13 71 ILE HG13 6.34
&rst
ixpk= 0, nxpk= 0, iat= 110,1081, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 8 ILE QG1 59 GLN QG 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 109, 110,
igr2= 910, 911,
&end
#
# 8 ILE QG1 70 VAL HN 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 109, 110,
&end
#
# 8 ILE QG1 71 ILE HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 109, 110,
&end
#
# 8 ILE QG1 71 ILE HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 109, 110,
&end
#
# 8 ILE QG1 71 ILE HB 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 109, 110,
&end
#
# 8 ILE QG1 71 ILE QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 109, 110,
igr2=1076,1077,1078,
&end
#
# 8 ILE QG1 71 ILE QG1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 109, 110,
igr2=1080,1081,
&end
#
# 8 ILE QG1 72 HIS HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 109, 110,
&end
#
# 8 ILE QD1 9 SER HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 112, 113, 114,
&end
#
# 8 ILE QD1 44 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 112, 113, 114,
igr2= 657, 658, 659,
&end
#
# 8 ILE QD1 58 LEU QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 112, 113, 114,
igr2= 888, 889,
&end
#
# 8 ILE QD1 58 LEU HG 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 112, 113, 114,
&end
#
# 8 ILE QD1 58 LEU QQD 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 112, 113, 114,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 8 ILE QD1 59 GLN HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 112, 113, 114,
&end
#
# 8 ILE QD1 59 GLN HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 112, 113, 114,
&end
#
# 8 ILE QD1 59 GLN QB 6.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1= 112, 113, 114,
igr2= 907, 908,
&end
#
# 8 ILE QD1 59 GLN QG 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 112, 113, 114,
igr2= 910, 911,
&end
#
# 8 ILE QD1 62 ILE QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 112, 113, 114,
igr2= 955, 956,
&end
#
# 8 ILE QD1 69 ALA QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 112, 113, 114,
igr2=1048,1049,1050,
&end
#
# 8 ILE QD1 70 VAL HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 112, 113, 114,
&end
#
# 8 ILE QD1 71 ILE HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 112, 113, 114,
&end
#
# 8 ILE QD1 71 ILE QG1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 112, 113, 114,
igr2=1080,1081,
&end
#
# 8 ILE QD1 71 ILE QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 112, 113, 114,
igr2=1083,1084,1085,
&end
#
# 8 ILE QD1 72 HIS HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 112, 113, 114,
&end
#
# 9 SER HN 10 VAL HN 5.65
&rst
ixpk= 0, nxpk= 0, iat= 118, 129, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 9 SER HN 69 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1048,1049,1050,
&end
#
# 9 SER HN 70 VAL HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 118,1054, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 9 SER HN 70 VAL HB 5.61
&rst
ixpk= 0, nxpk= 0, iat= 118,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 9 SER HN 71 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 118,1072, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 9 SER HA 43 ASN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 120, 639, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 9 SER HA 43 ASN HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 120, 641, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 9 SER HA 44 ALA HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 120, 653, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 9 SER HB2 10 VAL HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 9 SER HB2 70 VAL HB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 122,1058, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 9 SER HB2 70 VAL QG1 7.76
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr2=1060,1061,1062,
&end
#
# 9 SER HB2 70 VAL QG2 7.76
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr2=1064,1065,1066,
&end
#
# 9 SER HB3 10 VAL HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 123, 129, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 9 SER HB3 70 VAL HB 4.84
&rst
ixpk= 0, nxpk= 0, iat= 123,1058, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 9 SER HB3 70 VAL QG1 7.76
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr2=1060,1061,1062,
&end
#
# 9 SER HB3 70 VAL QG2 7.76
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr2=1064,1065,1066,
&end
#
# 9 SER QB 10 VAL HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 122, 123,
&end
#
# 9 SER QB 44 ALA HN 6.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 122, 123,
&end
#
# 9 SER QB 70 VAL HN 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 122, 123,
&end
#
# 9 SER QB 70 VAL HB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 122, 123,
&end
#
# 9 SER QB 70 VAL QQG 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20,
igr1= 122, 123,
igr2=1060,1061,1062,1064,1065,1066,
&end
#
# 10 VAL HN 10 VAL HB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 10 VAL HN 10 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 135, 136, 137,
&end
#
# 10 VAL HN 10 VAL QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 139, 140, 141,
&end
#
# 10 VAL HN 10 VAL QQG 3.88
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 135, 136, 137, 139, 140, 141,
&end
#
# 10 VAL HN 11 GLU QG 6.51
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 152, 153,
&end
#
# 10 VAL HN 13 MET QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 178, 179, 180,
&end
#
# 10 VAL HN 42 LYS QB 5.47
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 621, 622,
&end
#
# 10 VAL HN 43 ASN HN 5.52
&rst
ixpk= 0, nxpk= 0, iat= 129, 639, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 10 VAL HN 43 ASN HA 3.58
&rst
ixpk= 0, nxpk= 0, iat= 129, 641, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 10 VAL HN 43 ASN QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 643, 644,
&end
#
# 10 VAL HN 44 ALA HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 129, 653, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 10 VAL HN 44 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 657, 658, 659,
&end
#
# 10 VAL HN 69 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1048,1049,1050,
&end
#
# 10 VAL HA 10 VAL QG1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 135, 136, 137,
&end
#
# 10 VAL HA 10 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 139, 140, 141,
&end
#
# 10 VAL HA 11 GLU QG 6.74
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 152, 153,
&end
#
# 10 VAL HA 43 ASN HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 131, 641, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 10 VAL HA 44 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 657, 658, 659,
&end
#
# 10 VAL HA 69 ALA HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 131,1046, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 10 VAL HA 69 ALA QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1048,1049,1050,
&end
#
# 10 VAL HA 70 VAL HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 131,1054, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 10 VAL HB 11 GLU HN 5.73
&rst
ixpk= 0, nxpk= 0, iat= 133, 145, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 10 VAL HB 43 ASN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 133, 639, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 10 VAL HB 43 ASN HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 133, 641, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 10 VAL HB 69 ALA HA 5.80
&rst
ixpk= 0, nxpk= 0, iat= 133,1046, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 10 VAL QG1 11 GLU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 135, 136, 137,
&end
#
# 10 VAL QG1 44 ALA QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 135, 136, 137,
igr2= 657, 658, 659,
&end
#
# 10 VAL QG1 68 ASP HN 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 135, 136, 137,
&end
#
# 10 VAL QG2 11 GLU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 139, 140, 141,
&end
#
# 10 VAL QG2 44 ALA QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 139, 140, 141,
igr2= 657, 658, 659,
&end
#
# 10 VAL QG2 68 ASP HN 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 139, 140, 141,
&end
#
# 10 VAL QQG 11 GLU QG 8.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.98, r4=13.48,
igr1= 135, 136, 137, 139, 140, 141,
igr2= 152, 153,
&end
#
# 10 VAL QQG 22 ILE QD1 6.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 135, 136, 137, 139, 140, 141,
igr2= 310, 311, 312,
&end
#
# 10 VAL QQG 37 VAL HB 6.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 135, 136, 137, 139, 140, 141,
&end
#
# 10 VAL QQG 43 ASN HN 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 135, 136, 137, 139, 140, 141,
&end
#
# 10 VAL QQG 43 ASN HA 6.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 9.29, r4= 9.79,
igr1= 135, 136, 137, 139, 140, 141,
&end
#
# 10 VAL QQG 44 ALA HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 135, 136, 137, 139, 140, 141,
&end
#
# 10 VAL QQG 44 ALA HA 6.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 135, 136, 137, 139, 140, 141,
&end
#
# 10 VAL QQG 44 ALA QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 135, 136, 137, 139, 140, 141,
igr2= 657, 658, 659,
&end
#
# 10 VAL QQG 67 PHE QD 6.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1= 135, 136, 137, 139, 140, 141,
igr2=1020,1028,
&end
#
# 10 VAL QQG 68 ASP HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 135, 136, 137, 139, 140, 141,
&end
#
# 10 VAL QQG 69 ALA HA 7.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 135, 136, 137, 139, 140, 141,
&end
#
# 10 VAL QQG 69 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
igr1= 135, 136, 137, 139, 140, 141,
igr2=1048,1049,1050,
&end
#
# 10 VAL QQG 70 VAL HN 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 135, 136, 137, 139, 140, 141,
&end
#
# 11 GLU HN 11 GLU HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 GLU HN 11 GLU HG3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 145, 153, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 GLU HN 11 GLU QG 4.05
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 152, 153,
&end
#
# 11 GLU HN 43 ASN QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 643, 644,
&end
#
# 11 GLU HN 44 ALA QB 6.15
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 657, 658, 659,
&end
#
# 11 GLU HN 68 ASP HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 145,1032, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 11 GLU HN 68 ASP QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2=1036,1037,
&end
#
# 11 GLU HN 69 ALA HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 145,1046, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 11 GLU HA 11 GLU QG 3.67
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 152, 153,
&end
#
# 11 GLU HA 42 LYS QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 621, 622,
&end
#
# 11 GLU HB2 68 ASP HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 149,1032, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 11 GLU HB2 68 ASP HB2 6.09
&rst
ixpk= 0, nxpk= 0, iat= 149,1036, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 11 GLU HB2 68 ASP HB3 6.09
&rst
ixpk= 0, nxpk= 0, iat= 149,1037, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 11 GLU HB3 68 ASP HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 150,1032, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 11 GLU HB3 68 ASP HB2 6.09
&rst
ixpk= 0, nxpk= 0, iat= 150,1036, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 11 GLU HB3 68 ASP HB3 6.09
&rst
ixpk= 0, nxpk= 0, iat= 150,1037, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 11 GLU QB 12 GLY QA 6.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 149, 150,
igr2= 162, 163,
&end
#
# 11 GLU QB 68 ASP HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 149, 150,
&end
#
# 11 GLU QB 68 ASP QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 149, 150,
igr2=1036,1037,
&end
#
# 11 GLU QB 69 ALA HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 149, 150,
&end
#
# 11 GLU HG2 12 GLY HN 5.79
&rst
ixpk= 0, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 11 GLU HG3 12 GLY HN 5.79
&rst
ixpk= 0, nxpk= 0, iat= 153, 160, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 11 GLU QG 12 GLY HN 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 152, 153,
&end
#
# 11 GLU QG 68 ASP QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 152, 153,
igr2=1036,1037,
&end
#
# 11 GLU QG 69 ALA HA 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 152, 153,
&end
#
# 12 GLY QA 67 PHE HA 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 162, 163,
&end
#
# 12 GLY QA 67 PHE QD 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1= 162, 163,
igr2=1020,1028,
&end
#
# 13 MET HA 13 MET QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 178, 179, 180,
&end
#
# 13 MET HA 18 CYG HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 169, 238, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 13 MET HA 18 CYG HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 169, 237, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 13 MET HA 18 CYG QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 238, 237,
&end
#
# 13 MET HA 67 PHE QD 6.15
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1020,1028,
&end
#
# 13 MET HA 67 PHE QE 6.15
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1022,1026,
&end
#
# 13 MET QB 67 PHE QE 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 171, 172,
igr2=1022,1026,
&end
#
# 13 MET QG 18 CYG QB 6.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr1= 174, 175,
igr2= 238, 237,
&end
#
# 13 MET QG 19 VAL QQG 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr1= 174, 175,
igr2= 249, 250, 251, 253, 254, 255,
&end
#
# 13 MET QE 22 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 178, 179, 180,
igr2= 310, 311, 312,
&end
#
# 13 MET QE 37 VAL QQG 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.17, r4=11.67,
igr1= 178, 179, 180,
igr2= 547, 548, 549, 551, 552, 553,
&end
#
# 13 MET QE 39 LEU HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 178, 179, 180,
&end
#
# 13 MET QE 39 LEU QQD 7.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.80, r4=12.30,
igr1= 178, 179, 180,
igr2= 581, 582, 583, 577, 578, 579,
&end
#
# 13 MET QE 42 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 178, 179, 180,
&end
#
# 13 MET QE 42 LYS HA 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 178, 179, 180,
&end
#
# 13 MET QE 43 ASN HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 178, 179, 180,
&end
#
# 13 MET QE 44 ALA HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 178, 179, 180,
&end
#
# 14 THR HA 14 THR QG2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 190, 191, 192,
&end
#
# 14 THR HA 39 LEU HA 5.98
&rst
ixpk= 0, nxpk= 0, iat= 186, 570, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 14 THR HA 39 LEU QQD 6.45
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr2= 581, 582, 583, 577, 578, 579,
&end
#
# 14 THR HB 40 GLU HA 5.95
&rst
ixpk= 0, nxpk= 0, iat= 188, 589, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 14 THR QG2 87 GLY HA3 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 190, 191, 192,
&end
#
# 14 THR QG2 87 GLY HA3 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 190, 191, 192,
&end
#
# 14 THR QG2 87 GLY QA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 190, 191, 192,
igr2=1317,1318,
&end
#
# 17 SER HA 19 VAL QQG 6.01
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr2= 249, 250, 251, 253, 254, 255,
&end
#
# 17 SER HB2 20 TRP HB2 6.88
&rst
ixpk= 0, nxpk= 0, iat= 226, 263, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 17 SER HB2 20 TRP HB3 6.88
&rst
ixpk= 0, nxpk= 0, iat= 226, 264, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 17 SER HB3 20 TRP HB2 6.88
&rst
ixpk= 0, nxpk= 0, iat= 227, 263, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 17 SER HB3 20 TRP HB3 6.88
&rst
ixpk= 0, nxpk= 0, iat= 227, 264, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 17 SER QB 20 TRP HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 226, 227,
&end
#
# 17 SER QB 20 TRP QB 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 226, 227,
igr2= 263, 264,
&end
#
# 17 SER QB 20 TRP HD1 6.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 226, 227,
&end
#
# 18 CYG HA 20 TRP HE3 6.15
&rst
ixpk= 0, nxpk= 0, iat= 235, 278, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 18 CYG HA 21 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 235, 283, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 18 CYG HA 65 MET QG 5.43
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 995, 996,
&end
#
# 18 CYG HB2 19 VAL QG1 7.71
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr2= 249, 250, 251,
&end
#
# 18 CYG HB2 19 VAL QG2 7.71
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr2= 253, 254, 255,
&end
#
# 18 CYG HB3 19 VAL QG1 7.71
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr2= 249, 250, 251,
&end
#
# 18 CYG HB3 19 VAL QG2 7.71
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr2= 253, 254, 255,
&end
#
# 18 CYG QB 19 VAL QQG 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
igr1= 238, 237,
igr2= 249, 250, 251, 253, 254, 255,
&end
#
# 18 CYG QB 22 ILE HN 6.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 238, 237,
&end
#
# 18 CYG QB 65 MET QE 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 238, 237,
igr2= 999,1000,1001,
&end
#
# 19 VAL HA 21 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 245, 283, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 19 VAL HA 21 THR HB 5.85
&rst
ixpk= 0, nxpk= 0, iat= 245, 287, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 19 VAL HA 22 ILE HB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 245, 301, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 19 VAL HA 22 ILE QG2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 303, 304, 305,
&end
#
# 19 VAL HA 22 ILE QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 310, 311, 312,
&end
#
# 19 VAL HA 37 VAL HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 245, 545, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 19 VAL HB 20 TRP HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 247, 259, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 19 VAL HB 37 VAL QQG 5.83
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 547, 548, 549, 551, 552, 553,
&end
#
# 19 VAL QG1 20 TRP HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 249, 250, 251,
&end
#
# 19 VAL QG1 39 LEU QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 249, 250, 251,
igr2= 577, 578, 579,
&end
#
# 19 VAL QG1 39 LEU QD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 249, 250, 251,
igr2= 581, 582, 583,
&end
#
# 19 VAL QG2 20 TRP HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 253, 254, 255,
&end
#
# 19 VAL QG2 39 LEU QD1 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 253, 254, 255,
igr2= 577, 578, 579,
&end
#
# 19 VAL QG2 39 LEU QD2 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 253, 254, 255,
igr2= 581, 582, 583,
&end
#
# 19 VAL QQG 20 TRP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 249, 250, 251, 253, 254, 255,
&end
#
# 19 VAL QQG 39 LEU QQD 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 249, 250, 251, 253, 254, 255,
igr2= 581, 582, 583, 577, 578, 579,
&end
#
# 20 TRP HA 20 TRP HD1 5.42
&rst
ixpk= 0, nxpk= 0, iat= 261, 267, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 20 TRP HA 20 TRP HE3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 261, 278, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 20 TRP HA 20 TRP HE1 6.15
&rst
ixpk= 0, nxpk= 0, iat= 261, 269, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 20 TRP HA 22 ILE HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 261, 297, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 20 TRP HA 23 GLU HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 261, 316, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 20 TRP HA 23 GLU QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 320, 321,
&end
#
# 20 TRP HA 24 GLN HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 261, 331, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 20 TRP HA 24 GLN QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 335, 336,
&end
#
# 20 TRP HA 24 GLN QG 6.30
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2= 338, 339,
&end
#
# 20 TRP HB2 21 THR HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 263, 283, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 20 TRP HB3 21 THR HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 264, 283, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 20 TRP QB 21 THR HA 6.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 263, 264,
&end
#
# 20 TRP HD1 24 GLN QG 7.03
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 338, 339,
&end
#
# 20 TRP HE3 21 THR HA 5.78
&rst
ixpk= 0, nxpk= 0, iat= 278, 285, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 20 TRP HE3 24 GLN QB 6.80
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr2= 335, 336,
&end
#
# 20 TRP HE3 24 GLN QG 6.76
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr2= 338, 339,
&end
#
# 20 TRP HE1 24 GLN HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 269, 338, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 TRP HE1 24 GLN HG3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 269, 339, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 TRP HE1 24 GLN QG 4.72
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 338, 339,
&end
#
# 20 TRP HZ3 21 THR HB 6.15
&rst
ixpk= 0, nxpk= 0, iat= 276, 287, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 21 THR HN 22 ILE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 283, 297, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 21 THR HN 22 ILE QG1 5.69
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 307, 308,
&end
#
# 21 THR HA 21 THR QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 289, 290, 291,
&end
#
# 21 THR HA 22 ILE HA 5.78
&rst
ixpk= 0, nxpk= 0, iat= 285, 299, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 21 THR HA 24 GLN HN 6.01
&rst
ixpk= 0, nxpk= 0, iat= 285, 331, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 21 THR HA 25 GLN HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 285, 348, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 21 THR HA 25 GLN QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 352, 353,
&end
#
# 21 THR HB 22 ILE HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 287, 297, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 21 THR HB 22 ILE HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= 287, 299, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 21 THR HB 22 ILE QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 307, 308,
&end
#
# 21 THR HB 22 ILE QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 310, 311, 312,
&end
#
# 21 THR HB 65 MET QE 4.34
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 999,1000,1001,
&end
#
# 21 THR QG2 22 ILE HN 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 289, 290, 291,
&end
#
# 21 THR QG2 22 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 289, 290, 291,
&end
#
# 21 THR QG2 22 ILE QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 289, 290, 291,
igr2= 303, 304, 305,
&end
#
# 21 THR QG2 24 GLN QB 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 289, 290, 291,
igr2= 335, 336,
&end
#
# 21 THR QG2 25 GLN HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 289, 290, 291,
&end
#
# 21 THR QG2 25 GLN QG 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 289, 290, 291,
igr2= 355, 356,
&end
#
# 21 THR QG2 64 ASP QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 289, 290, 291,
igr2= 980, 981,
&end
#
# 21 THR QG2 65 MET QE 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 289, 290, 291,
igr2= 999,1000,1001,
&end
#
# 21 THR QG2 132 GLY HA3 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 289, 290, 291,
&end
#
# 21 THR QG2 132 GLY HA3 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 289, 290, 291,
&end
#
# 21 THR QG2 132 GLY QA 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 289, 290, 291,
igr2=2015,2016,
&end
#
# 21 THR QG2 133 LYS HA 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 289, 290, 291,
&end
#
# 21 THR QG2 133 LYS QG 6.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 289, 290, 291,
igr2=2027,2028,
&end
#
# 21 THR QG2 133 LYS QD 6.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.33, r4= 9.83,
igr1= 289, 290, 291,
igr2=2030,2031,
&end
#
# 21 THR QG2 133 LYS HE2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 289, 290, 291,
&end
#
# 21 THR QG2 133 LYS HE3 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 289, 290, 291,
&end
#
# 21 THR QG2 133 LYS QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 289, 290, 291,
igr2=2033,2034,
&end
#
# 22 ILE HN 22 ILE QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 303, 304, 305,
&end
#
# 22 ILE HN 22 ILE QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 307, 308,
&end
#
# 22 ILE HN 22 ILE QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 310, 311, 312,
&end
#
# 22 ILE HN 23 GLU HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 297, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 22 ILE HN 24 GLN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 297, 331, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 22 ILE HN 65 MET QE 4.79
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 999,1000,1001,
&end
#
# 22 ILE HA 22 ILE QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 303, 304, 305,
&end
#
# 22 ILE HA 22 ILE QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 307, 308,
&end
#
# 22 ILE HA 25 GLN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 299, 348, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 22 ILE HA 25 GLN HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 299, 352, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 ILE HA 25 GLN HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 299, 353, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 ILE HA 25 GLN QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 352, 353,
&end
#
# 22 ILE HA 25 GLN QG 6.82
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr2= 355, 356,
&end
#
# 22 ILE HA 26 ILE HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 299, 365, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 22 ILE HA 26 ILE QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 378, 379, 380,
&end
#
# 22 ILE HA 35 ILE QG1 6.07
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 510, 511,
&end
#
# 22 ILE HB 22 ILE QG1 2.56
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2= 307, 308,
&end
#
# 22 ILE HB 23 GLU HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 301, 316, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 22 ILE HB 23 GLU HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 301, 318, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 22 ILE QG2 22 ILE QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 303, 304, 305,
igr2= 310, 311, 312,
&end
#
# 22 ILE QG2 23 GLU HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 23 GLU HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 23 GLU HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 23 GLU HB3 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 23 GLU QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 303, 304, 305,
igr2= 320, 321,
&end
#
# 22 ILE QG2 26 ILE HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 26 ILE HB 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 26 ILE QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 303, 304, 305,
igr2= 375, 376,
&end
#
# 22 ILE QG2 26 ILE QD1 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 303, 304, 305,
igr2= 378, 379, 380,
&end
#
# 22 ILE QG2 35 ILE HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 35 ILE HG12 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 35 ILE HG13 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 303, 304, 305,
&end
#
# 22 ILE QG2 35 ILE QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 303, 304, 305,
igr2= 510, 511,
&end
#
# 22 ILE QG2 35 ILE QD1 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 303, 304, 305,
igr2= 513, 514, 515,
&end
#
# 22 ILE QG2 37 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 303, 304, 305,
igr2= 547, 548, 549,
&end
#
# 22 ILE QG2 37 VAL QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 303, 304, 305,
igr2= 551, 552, 553,
&end
#
# 22 ILE QG2 37 VAL QQG 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 303, 304, 305,
igr2= 547, 548, 549, 551, 552, 553,
&end
#
# 22 ILE QG1 23 GLU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 307, 308,
&end
#
# 22 ILE QG1 37 VAL HB 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 307, 308,
&end
#
# 22 ILE QG1 37 VAL QG1 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 307, 308,
igr2= 547, 548, 549,
&end
#
# 22 ILE QG1 37 VAL QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 307, 308,
igr2= 551, 552, 553,
&end
#
# 22 ILE QG1 37 VAL QQG 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 307, 308,
igr2= 547, 548, 549, 551, 552, 553,
&end
#
# 22 ILE QG1 65 MET QE 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 307, 308,
igr2= 999,1000,1001,
&end
#
# 22 ILE QD1 23 GLU HN 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 310, 311, 312,
&end
#
# 22 ILE QD1 24 GLN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 310, 311, 312,
&end
#
# 22 ILE QD1 37 VAL QQG 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.92, r4= 9.42,
igr1= 310, 311, 312,
igr2= 547, 548, 549, 551, 552, 553,
&end
#
# 22 ILE QD1 61 ALA QB 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1= 310, 311, 312,
igr2= 939, 940, 941,
&end
#
# 22 ILE QD1 62 ILE HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 310, 311, 312,
&end
#
# 22 ILE QD1 62 ILE QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 310, 311, 312,
igr2= 951, 952, 953,
&end
#
# 22 ILE QD1 62 ILE QD1 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 310, 311, 312,
igr2= 958, 959, 960,
&end
#
# 22 ILE QD1 65 MET QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 310, 311, 312,
igr2= 999,1000,1001,
&end
#
# 23 GLU HN 23 GLU HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 316, 320, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 23 GLU HN 23 GLU HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 316, 321, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 23 GLU HN 23 GLU QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 320, 321,
&end
#
# 23 GLU HN 23 GLU QG 6.27
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 323, 324,
&end
#
# 23 GLU HN 24 GLN HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= 316, 331, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 23 GLU HN 27 GLY HN 5.86
&rst
ixpk= 0, nxpk= 0, iat= 316, 384, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 23 GLU HN 35 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 513, 514, 515,
&end
#
# 23 GLU HA 26 ILE HB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 318, 369, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 23 GLU HA 35 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 318, 500, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 23 GLU HA 35 ILE HB 5.97
&rst
ixpk= 0, nxpk= 0, iat= 318, 504, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 23 GLU HA 35 ILE QG1 6.02
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 510, 511,
&end
#
# 23 GLU HA 35 ILE QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 513, 514, 515,
&end
#
# 23 GLU HB2 24 GLN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 320, 331, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 GLU HB2 35 ILE QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 513, 514, 515,
&end
#
# 23 GLU HB3 24 GLN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 GLU HB3 35 ILE QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 513, 514, 515,
&end
#
# 23 GLU QB 24 GLN HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 320, 321,
&end
#
# 23 GLU QB 35 ILE QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 320, 321,
igr2= 513, 514, 515,
&end
#
# 23 GLU QG 24 GLN HN 6.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 323, 324,
&end
#
# 23 GLU QG 35 ILE HB 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 323, 324,
&end
#
# 23 GLU QG 35 ILE QG1 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 323, 324,
igr2= 510, 511,
&end
#
# 24 GLN HN 24 GLN HG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 331, 338, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 24 GLN HN 24 GLN HG3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 331, 339, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 24 GLN HN 24 GLN QG 4.22
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 338, 339,
&end
#
# 24 GLN HN 25 GLN HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 331, 348, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 24 GLN HN 25 GLN QG 6.28
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 355, 356,
&end
#
# 24 GLN HA 24 GLN HE21 6.15
&rst
ixpk= 0, nxpk= 0, iat= 333, 343, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 24 GLN HA 24 GLN HE22 6.15
&rst
ixpk= 0, nxpk= 0, iat= 333, 344, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 24 GLN HA 27 GLY HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 333, 384, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 24 GLN HA 27 GLY QA 4.55
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 386, 387,
&end
#
# 24 GLN QB 26 ILE HN 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 335, 336,
&end
#
# 24 GLN QB 27 GLY HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 335, 336,
&end
#
# 24 GLN QE2 25 GLN HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 343, 344,
&end
#
# 25 GLN HN 25 GLN HG2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 348, 355, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 GLN HN 25 GLN HG3 6.15
&rst
ixpk= 0, nxpk= 0, iat= 348, 356, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 GLN HN 25 GLN QG 5.75
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 355, 356,
&end
#
# 25 GLN HN 25 GLN QE2 7.01
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2= 360, 361,
&end
#
# 25 GLN HN 26 ILE HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 348, 365, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 25 GLN HN 27 GLY HN 5.52
&rst
ixpk= 0, nxpk= 0, iat= 348, 384, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 25 GLN HA 27 GLY HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 350, 384, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 25 GLN HA 28 LYS HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 350, 391, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 25 GLN HA 28 LYS QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 395, 396,
&end
#
# 25 GLN HA 28 LYS QE 7.03
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 404, 405,
&end
#
# 25 GLN HB2 26 ILE HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 352, 365, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 25 GLN HB2 61 ALA QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 939, 940, 941,
&end
#
# 25 GLN HB2 132 GLY HA3 7.91
&rst
ixpk= 0, nxpk= 0, iat= 352,2016, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 25 GLN HB2 132 GLY HA3 7.91
&rst
ixpk= 0, nxpk= 0, iat= 352,2016, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 25 GLN HB3 26 ILE HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 353, 365, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 25 GLN HB3 61 ALA QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 939, 940, 941,
&end
#
# 25 GLN HB3 132 GLY HA3 7.91
&rst
ixpk= 0, nxpk= 0, iat= 353,2016, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 25 GLN HB3 132 GLY HA3 7.91
&rst
ixpk= 0, nxpk= 0, iat= 353,2016, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 25 GLN QB 132 GLY QA 6.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 352, 353,
igr2=2015,2016,
&end
#
# 25 GLN QG 26 ILE HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 355, 356,
&end
#
# 25 GLN QG 61 ALA QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98,
igr1= 355, 356,
igr2= 939, 940, 941,
&end
#
# 25 GLN QG 62 ILE HA 6.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 355, 356,
&end
#
# 25 GLN QG 132 GLY QA 7.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 355, 356,
igr2=2015,2016,
&end
#
# 26 ILE HN 26 ILE HB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 26 ILE HN 26 ILE QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 371, 372, 373,
&end
#
# 26 ILE HN 26 ILE QG1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 375, 376,
&end
#
# 26 ILE HN 26 ILE QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 378, 379, 380,
&end
#
# 26 ILE HN 27 GLY HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= 365, 384, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 26 ILE HN 28 LYS HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 365, 391, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 26 ILE HN 32 VAL QQG 7.70
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 26 ILE HA 26 ILE QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 371, 372, 373,
&end
#
# 26 ILE HA 26 ILE HG12 4.19
&rst
ixpk= 0, nxpk= 0, iat= 367, 375, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 26 ILE HA 26 ILE HG13 4.19
&rst
ixpk= 0, nxpk= 0, iat= 367, 376, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 26 ILE HA 26 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 378, 379, 380,
&end
#
# 26 ILE HA 27 GLY QA 5.60
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 386, 387,
&end
#
# 26 ILE HA 28 LYS HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 367, 391, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 26 ILE HA 29 VAL QQG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 419, 420, 421, 423, 424, 425,
&end
#
# 26 ILE HA 61 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 939, 940, 941,
&end
#
# 26 ILE HB 26 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 378, 379, 380,
&end
#
# 26 ILE HB 27 GLY HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 369, 384, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 26 ILE HB 35 ILE QG1 5.61
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 510, 511,
&end
#
# 26 ILE HB 46 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 690, 691, 692,
&end
#
# 26 ILE QG2 26 ILE HG12 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 371, 372, 373,
&end
#
# 26 ILE QG2 26 ILE HG13 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 371, 372, 373,
&end
#
# 26 ILE QG2 26 ILE QG1 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 371, 372, 373,
igr2= 375, 376,
&end
#
# 26 ILE QG2 26 ILE QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 371, 372, 373,
igr2= 378, 379, 380,
&end
#
# 26 ILE QG2 27 GLY HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 371, 372, 373,
&end
#
# 26 ILE QG2 27 GLY QA 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 371, 372, 373,
igr2= 386, 387,
&end
#
# 26 ILE QG2 28 LYS HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 371, 372, 373,
&end
#
# 26 ILE QG2 32 VAL HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 371, 372, 373,
&end
#
# 26 ILE QG2 32 VAL HB 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 371, 372, 373,
&end
#
# 26 ILE QG2 32 VAL QG1 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 371, 372, 373,
igr2= 456, 457, 458,
&end
#
# 26 ILE QG2 32 VAL QG2 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 371, 372, 373,
igr2= 460, 461, 462,
&end
#
# 26 ILE QG2 32 VAL QQG 2.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 371, 372, 373,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 26 ILE QG2 46 ILE QD1 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 371, 372, 373,
igr2= 690, 691, 692,
&end
#
# 26 ILE QD1 46 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 378, 379, 380,
igr2= 690, 691, 692,
&end
#
# 26 ILE QD1 61 ALA HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 378, 379, 380,
&end
#
# 26 ILE QD1 61 ALA QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 378, 379, 380,
igr2= 939, 940, 941,
&end
#
# 27 GLY HN 28 LYS HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 384, 391, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 27 GLY HN 28 LYS QB 6.19
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2= 395, 396,
&end
#
# 27 GLY HN 28 LYS QE 6.95
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr2= 404, 405,
&end
#
# 27 GLY HN 32 VAL QG1 6.15
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 456, 457, 458,
&end
#
# 27 GLY HN 32 VAL QG2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 460, 461, 462,
&end
#
# 27 GLY HN 32 VAL QQG 5.54
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 27 GLY HN 35 ILE HB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 384, 504, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 27 GLY HN 35 ILE QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 506, 507, 508,
&end
#
# 27 GLY HN 35 ILE QD1 6.15
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 513, 514, 515,
&end
#
# 27 GLY QA 28 LYS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 386, 387,
&end
#
# 27 GLY QA 29 VAL HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 386, 387,
&end
#
# 27 GLY QA 29 VAL QQG 6.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.24, r4=10.74,
igr1= 386, 387,
igr2= 419, 420, 421, 423, 424, 425,
&end
#
# 27 GLY QA 32 VAL QQG 6.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.94, r4=10.44,
igr1= 386, 387,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 28 LYS HN 28 LYS QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 395, 396,
&end
#
# 28 LYS HN 28 LYS HG2 5.56
&rst
ixpk= 0, nxpk= 0, iat= 391, 398, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 28 LYS HN 28 LYS HG3 5.56
&rst
ixpk= 0, nxpk= 0, iat= 391, 399, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 28 LYS HN 28 LYS QG 5.42
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 398, 399,
&end
#
# 28 LYS HN 28 LYS QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 404, 405,
&end
#
# 28 LYS HN 29 VAL HN 3.12
&rst
ixpk= 0, nxpk= 0, iat= 391, 413, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 28 LYS HN 29 VAL QG1 6.15
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 419, 420, 421,
&end
#
# 28 LYS HN 29 VAL QG2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 423, 424, 425,
&end
#
# 28 LYS HN 29 VAL QQG 4.92
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 419, 420, 421, 423, 424, 425,
&end
#
# 28 LYS HN 30 ASN HN 5.95
&rst
ixpk= 0, nxpk= 0, iat= 391, 429, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 28 LYS HN 32 VAL QQG 5.37
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 28 LYS HA 28 LYS HG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 393, 398, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 28 LYS HA 28 LYS HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 393, 399, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 28 LYS HA 28 LYS QD 5.09
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 401, 402,
&end
#
# 28 LYS HA 28 LYS HE2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 393, 404, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 28 LYS HA 28 LYS HE3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 393, 405, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 28 LYS HA 28 LYS QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 404, 405,
&end
#
# 28 LYS HA 29 VAL HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= 393, 413, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 28 LYS HA 30 ASN HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 393, 429, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 28 LYS HB2 28 LYS HE2 7.91
&rst
ixpk= 0, nxpk= 0, iat= 395, 404, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 28 LYS HB2 28 LYS HE3 7.91
&rst
ixpk= 0, nxpk= 0, iat= 395, 405, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 28 LYS HB3 28 LYS HE2 7.91
&rst
ixpk= 0, nxpk= 0, iat= 396, 404, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 28 LYS HB3 28 LYS HE3 7.91
&rst
ixpk= 0, nxpk= 0, iat= 396, 405, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 28 LYS QB 28 LYS QD 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 395, 396,
igr2= 401, 402,
&end
#
# 28 LYS QB 28 LYS QE 6.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77,
igr1= 395, 396,
igr2= 404, 405,
&end
#
# 28 LYS QE 29 VAL HN 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 404, 405,
&end
#
# 29 VAL HN 29 VAL HB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 29 VAL HN 29 VAL QQG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 419, 420, 421, 423, 424, 425,
&end
#
# 29 VAL HN 30 ASN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 413, 429, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 29 VAL HN 32 VAL HN 5.52
&rst
ixpk= 0, nxpk= 0, iat= 413, 450, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 29 VAL HN 32 VAL QQG 5.13
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 29 VAL HA 31 GLY HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 415, 443, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 VAL HA 32 VAL HN 5.76
&rst
ixpk= 0, nxpk= 0, iat= 415, 450, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 29 VAL HB 30 ASN HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 417, 429, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 VAL HB 31 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 417, 443, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 29 VAL HB 32 VAL HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 417, 450, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 29 VAL HB 32 VAL QQG 6.05
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 29 VAL QG1 30 ASN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 419, 420, 421,
&end
#
# 29 VAL QG1 53 GLN HE21 7.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 419, 420, 421,
&end
#
# 29 VAL QG1 53 GLN HE22 7.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 419, 420, 421,
&end
#
# 29 VAL QG1 57 THR QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 419, 420, 421,
igr2= 876, 877, 878,
&end
#
# 29 VAL QG2 30 ASN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG2 53 GLN HE21 7.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG2 53 GLN HE22 7.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1= 423, 424, 425,
&end
#
# 29 VAL QG2 57 THR QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 423, 424, 425,
igr2= 876, 877, 878,
&end
#
# 29 VAL QQG 30 ASN HN 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 419, 420, 421, 423, 424, 425,
&end
#
# 29 VAL QQG 32 VAL HN 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 419, 420, 421, 423, 424, 425,
&end
#
# 29 VAL QQG 32 VAL QQG 6.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
igr1= 419, 420, 421, 423, 424, 425,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 29 VAL QQG 53 GLN HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 419, 420, 421, 423, 424, 425,
&end
#
# 29 VAL QQG 53 GLN QB 6.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71,
igr1= 419, 420, 421, 423, 424, 425,
igr2= 807, 808,
&end
#
# 29 VAL QQG 53 GLN QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 419, 420, 421, 423, 424, 425,
igr2= 810, 811,
&end
#
# 29 VAL QQG 53 GLN QE2 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1= 419, 420, 421, 423, 424, 425,
igr2= 815, 816,
&end
#
# 29 VAL QQG 57 THR QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 419, 420, 421, 423, 424, 425,
igr2= 876, 877, 878,
&end
#
# 30 ASN HN 30 ASN HD21 6.15
&rst
ixpk= 0, nxpk= 0, iat= 429, 438, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 30 ASN HN 30 ASN HD22 6.15
&rst
ixpk= 0, nxpk= 0, iat= 429, 439, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 30 ASN HN 30 ASN QD2 5.61
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 438, 439,
&end
#
# 30 ASN HN 31 GLY HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 429, 443, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 30 ASN HN 32 VAL QQG 5.49
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 30 ASN HA 31 GLY QA 6.22
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2= 445, 446,
&end
#
# 30 ASN HA 32 VAL HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 431, 450, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 ASN HB2 31 GLY HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 30 ASN HB3 31 GLY HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 434, 443, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 30 ASN QB 52 LEU HN 6.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 433, 434,
&end
#
# 30 ASN HD21 52 LEU QD1 7.23
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
igr2= 793, 794, 795,
&end
#
# 30 ASN HD21 52 LEU QD2 7.23
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
igr2= 797, 798, 799,
&end
#
# 30 ASN HD22 52 LEU QD1 7.23
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
igr2= 793, 794, 795,
&end
#
# 30 ASN HD22 52 LEU QD2 7.23
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
igr2= 797, 798, 799,
&end
#
# 30 ASN QD2 52 LEU QQD 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr1= 438, 439,
igr2= 797, 798, 799, 793, 794, 795,
&end
#
# 31 GLY HN 32 VAL HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 443, 450, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 31 GLY HN 52 LEU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 788, 789,
&end
#
# 31 GLY HN 52 LEU HG 6.15
&rst
ixpk= 0, nxpk= 0, iat= 443, 791, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 31 GLY HN 52 LEU QQD 5.15
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 797, 798, 799, 793, 794, 795,
&end
#
# 31 GLY HA3 32 VAL HA 5.79
&rst
ixpk= 0, nxpk= 0, iat= 446, 452, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 31 GLY HA3 52 LEU HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 446, 788, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 31 GLY HA3 52 LEU HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 446, 789, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 31 GLY HA3 52 LEU QD1 6.63
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr2= 793, 794, 795,
&end
#
# 31 GLY HA3 52 LEU QD2 6.63
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr2= 797, 798, 799,
&end
#
# 31 GLY HA3 32 VAL HA 5.79
&rst
ixpk= 0, nxpk= 0, iat= 446, 452, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 31 GLY HA3 52 LEU HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 446, 788, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 31 GLY HA3 52 LEU HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 446, 789, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 31 GLY HA3 52 LEU QD1 6.63
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr2= 793, 794, 795,
&end
#
# 31 GLY HA3 52 LEU QD2 6.63
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr2= 797, 798, 799,
&end
#
# 31 GLY QA 32 VAL HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 445, 446,
&end
#
# 31 GLY QA 51 LYS QE 6.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 445, 446,
igr2= 775, 776,
&end
#
# 31 GLY QA 52 LEU HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 445, 446,
&end
#
# 31 GLY QA 52 LEU QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 445, 446,
igr2= 788, 789,
&end
#
# 31 GLY QA 52 LEU HG 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 445, 446,
&end
#
# 31 GLY QA 52 LEU QQD 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 445, 446,
igr2= 797, 798, 799, 793, 794, 795,
&end
#
# 32 VAL HN 32 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 456, 457, 458,
&end
#
# 32 VAL HN 32 VAL QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 460, 461, 462,
&end
#
# 32 VAL HN 32 VAL QQG 3.84
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 32 VAL HN 33 HIS HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 450, 466, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 32 VAL HN 48 TYR QB 5.85
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 719, 720,
&end
#
# 32 VAL HN 57 THR QG2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 876, 877, 878,
&end
#
# 32 VAL HA 32 VAL QQG 3.07
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 456, 457, 458, 460, 461, 462,
&end
#
# 32 VAL HA 33 HIS QB 5.09
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 470, 471,
&end
#
# 32 VAL HA 46 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 690, 691, 692,
&end
#
# 32 VAL HA 53 GLN HE21 6.15
&rst
ixpk= 0, nxpk= 0, iat= 452, 815, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 32 VAL HA 53 GLN HE22 6.15
&rst
ixpk= 0, nxpk= 0, iat= 452, 816, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 32 VAL HA 53 GLN QE2 5.52
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 815, 816,
&end
#
# 32 VAL HB 33 HIS HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= 454, 466, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 32 VAL HB 46 ILE QG1 6.13
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 687, 688,
&end
#
# 32 VAL HB 53 GLN HE21 6.15
&rst
ixpk= 0, nxpk= 0, iat= 454, 815, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 32 VAL HB 53 GLN HE22 6.15
&rst
ixpk= 0, nxpk= 0, iat= 454, 816, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 32 VAL HB 53 GLN QE2 5.72
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 815, 816,
&end
#
# 32 VAL QG1 33 HIS HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 456, 457, 458,
&end
#
# 32 VAL QG1 35 ILE HB 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 456, 457, 458,
&end
#
# 32 VAL QG1 46 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 456, 457, 458,
igr2= 690, 691, 692,
&end
#
# 32 VAL QG1 53 GLN HE21 8.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3=10.16, r4=10.66,
igr1= 456, 457, 458,
&end
#
# 32 VAL QG1 53 GLN HE22 8.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3=10.16, r4=10.66,
igr1= 456, 457, 458,
&end
#
# 32 VAL QG2 33 HIS HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 460, 461, 462,
&end
#
# 32 VAL QG2 35 ILE HB 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 460, 461, 462,
&end
#
# 32 VAL QG2 46 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 460, 461, 462,
igr2= 690, 691, 692,
&end
#
# 32 VAL QG2 53 GLN HE21 8.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3=10.16, r4=10.66,
igr1= 460, 461, 462,
&end
#
# 32 VAL QG2 53 GLN HE22 8.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3=10.16, r4=10.66,
igr1= 460, 461, 462,
&end
#
# 32 VAL QQG 33 HIS HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 456, 457, 458, 460, 461, 462,
&end
#
# 32 VAL QQG 35 ILE HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 456, 457, 458, 460, 461, 462,
&end
#
# 32 VAL QQG 46 ILE QD1 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 456, 457, 458, 460, 461, 462,
igr2= 690, 691, 692,
&end
#
# 32 VAL QQG 53 GLN QE2 6.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.35, r4=10.85,
igr1= 456, 457, 458, 460, 461, 462,
igr2= 815, 816,
&end
#
# 33 HIS HN 33 HIS HD2 5.82
&rst
ixpk= 0, nxpk= 0, iat= 466, 479, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 33 HIS HN 34 HIS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 466, 483, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 33 HIS HN 46 ILE QD1 6.15
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 690, 691, 692,
&end
#
# 33 HIS HN 48 TYR HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= 466, 717, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 33 HIS HA 33 HIS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 468, 479, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 33 HIS QB 34 HIS HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 470, 471,
&end
#
# 33 HIS QB 34 HIS QB 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 470, 471,
igr2= 487, 488,
&end
#
# 33 HIS QB 47 ILE HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 470, 471,
&end
#
# 33 HIS QB 47 ILE QG1 6.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
igr1= 470, 471,
igr2= 706, 707,
&end
#
# 34 HIS HN 46 ILE QG1 7.03
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 687, 688,
&end
#
# 34 HIS HN 47 ILE HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 483, 696, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 34 HIS HN 47 ILE HB 5.84
&rst
ixpk= 0, nxpk= 0, iat= 483, 700, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 34 HIS HN 47 ILE QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 702, 703, 704,
&end
#
# 34 HIS HN 47 ILE QG1 5.68
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 706, 707,
&end
#
# 34 HIS HN 48 TYR HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 483, 717, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 34 HIS HA 34 HIS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 485, 496, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 34 HIS HB2 35 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 487, 500, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 34 HIS HB2 47 ILE HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 487, 696, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 34 HIS HB2 47 ILE HB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 487, 700, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 34 HIS HB2 47 ILE HG12 7.88
&rst
ixpk= 0, nxpk= 0, iat= 487, 706, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, &end
#
# 34 HIS HB2 47 ILE HG13 7.88
&rst
ixpk= 0, nxpk= 0, iat= 487, 707, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, &end
#
# 34 HIS HB2 47 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 709, 710, 711,
&end
#
# 34 HIS HB3 35 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 34 HIS HB3 47 ILE HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 488, 696, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 34 HIS HB3 47 ILE HB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 488, 700, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 34 HIS HB3 47 ILE HG12 7.88
&rst
ixpk= 0, nxpk= 0, iat= 488, 706, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, &end
#
# 34 HIS HB3 47 ILE HG13 7.88
&rst
ixpk= 0, nxpk= 0, iat= 488, 707, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38, &end
#
# 34 HIS HB3 47 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 709, 710, 711,
&end
#
# 34 HIS QB 47 ILE HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 487, 488,
&end
#
# 34 HIS QB 47 ILE HB 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 487, 488,
&end
#
# 34 HIS QB 47 ILE QG2 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 487, 488,
igr2= 702, 703, 704,
&end
#
# 34 HIS QB 47 ILE QG1 6.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 487, 488,
igr2= 706, 707,
&end
#
# 34 HIS QB 47 ILE QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 487, 488,
igr2= 709, 710, 711,
&end
#
# 34 HIS HD2 35 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 35 ILE HN 35 ILE HB 3.41
&rst
ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 35 ILE HN 35 ILE QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 506, 507, 508,
&end
#
# 35 ILE HN 35 ILE QG1 6.68
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 510, 511,
&end
#
# 35 ILE HN 35 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 513, 514, 515,
&end
#
# 35 ILE HN 36 LYS HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 35 ILE HN 36 LYS QB 6.54
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr2= 523, 524,
&end
#
# 35 ILE HN 46 ILE HA 6.08
&rst
ixpk= 0, nxpk= 0, iat= 500, 679, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 35 ILE HN 47 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 500, 696, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 35 ILE HA 35 ILE QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 513, 514, 515,
&end
#
# 35 ILE HA 36 LYS HA 5.56
&rst
ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 35 ILE HA 46 ILE HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 502, 679, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 35 ILE HA 46 ILE HB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 502, 681, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 35 ILE HA 46 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 683, 684, 685,
&end
#
# 35 ILE HA 46 ILE HG12 5.17
&rst
ixpk= 0, nxpk= 0, iat= 502, 687, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 35 ILE HA 46 ILE HG13 5.17
&rst
ixpk= 0, nxpk= 0, iat= 502, 688, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 35 ILE HA 46 ILE QG1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 687, 688,
&end
#
# 35 ILE HA 46 ILE QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 690, 691, 692,
&end
#
# 35 ILE HA 47 ILE HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 502, 696, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 35 ILE HB 35 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 513, 514, 515,
&end
#
# 35 ILE HB 36 LYS HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 504, 519, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 35 ILE HB 46 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 690, 691, 692,
&end
#
# 35 ILE HG12 36 LYS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 510, 519, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 35 ILE HG13 36 LYS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 511, 519, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 35 ILE QG1 36 LYS HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 510, 511,
&end
#
# 35 ILE QG1 37 VAL QQG 6.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
igr1= 510, 511,
igr2= 547, 548, 549, 551, 552, 553,
&end
#
# 35 ILE QD1 36 LYS HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 513, 514, 515,
&end
#
# 35 ILE QD1 36 LYS HA 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 513, 514, 515,
&end
#
# 36 LYS HN 36 LYS QG 4.30
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 526, 527,
&end
#
# 36 LYS HN 37 VAL HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 519, 541, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 36 LYS HN 37 VAL HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 519, 543, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 LYS HN 44 ALA HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 519, 655, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 LYS HN 45 THR HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 519, 663, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 36 LYS HN 45 THR HB 5.55
&rst
ixpk= 0, nxpk= 0, iat= 519, 667, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 36 LYS HN 45 THR QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 669, 670, 671,
&end
#
# 36 LYS HN 46 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 519, 677, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 LYS HN 46 ILE HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 519, 679, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 36 LYS HN 46 ILE HB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 519, 681, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 36 LYS HN 46 ILE QG1 6.77
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 687, 688,
&end
#
# 36 LYS HN 47 ILE HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 519, 696, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 36 LYS HA 36 LYS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 521, 529, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 LYS HA 36 LYS HD3 6.15
&rst
ixpk= 0, nxpk= 0, iat= 521, 530, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 LYS HB2 36 LYS HE2 6.27
&rst
ixpk= 0, nxpk= 0, iat= 523, 532, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 36 LYS HB2 36 LYS HE3 6.27
&rst
ixpk= 0, nxpk= 0, iat= 523, 533, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 36 LYS HB2 37 VAL HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 523, 541, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 LYS HB2 45 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 523, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 LYS HB3 36 LYS HE2 6.27
&rst
ixpk= 0, nxpk= 0, iat= 524, 532, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 36 LYS HB3 36 LYS HE3 6.27
&rst
ixpk= 0, nxpk= 0, iat= 524, 533, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 36 LYS HB3 37 VAL HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 36 LYS HB3 45 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 524, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 LYS QB 36 LYS QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 523, 524,
igr2= 529, 530,
&end
#
# 36 LYS QB 36 LYS QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 523, 524,
igr2= 532, 533,
&end
#
# 36 LYS QB 45 THR HN 6.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 523, 524,
&end
#
# 36 LYS QB 45 THR HB 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 523, 524,
&end
#
# 36 LYS QG 37 VAL HN 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 526, 527,
&end
#
# 36 LYS QG 38 SER HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 526, 527,
&end
#
# 36 LYS QG 45 THR HB 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 526, 527,
&end
#
# 36 LYS QD 37 VAL HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 529, 530,
&end
#
# 36 LYS QD 37 VAL HA 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 529, 530,
&end
#
# 36 LYS QE 37 VAL HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 532, 533,
&end
#
# 36 LYS QE 38 SER HN 6.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 532, 533,
&end
#
# 37 VAL HN 37 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 547, 548, 549,
&end
#
# 37 VAL HN 37 VAL QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 551, 552, 553,
&end
#
# 37 VAL HN 37 VAL QQG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 547, 548, 549, 551, 552, 553,
&end
#
# 37 VAL HN 38 SER HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 541, 557, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 37 VAL HA 38 SER QB 6.39
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2= 561, 562,
&end
#
# 37 VAL HA 44 ALA HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 543, 655, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 37 VAL HA 44 ALA QB 6.02
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2= 657, 658, 659,
&end
#
# 37 VAL HA 45 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 543, 663, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 37 VAL HB 38 SER HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 545, 557, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 37 VAL HB 44 ALA HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 545, 655, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 37 VAL HB 44 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 657, 658, 659,
&end
#
# 37 VAL QG1 38 SER HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 547, 548, 549,
&end
#
# 37 VAL QG2 38 SER HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 551, 552, 553,
&end
#
# 37 VAL QQG 38 SER HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 547, 548, 549, 551, 552, 553,
&end
#
# 37 VAL QQG 44 ALA HA 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 547, 548, 549, 551, 552, 553,
&end
#
# 37 VAL QQG 44 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 547, 548, 549, 551, 552, 553,
igr2= 657, 658, 659,
&end
#
# 38 SER HN 39 LEU HN 5.52
&rst
ixpk= 0, nxpk= 0, iat= 557, 568, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 38 SER HN 43 ASN HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 557, 639, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 38 SER HN 43 ASN HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 557, 641, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 38 SER HN 43 ASN QB 5.88
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 643, 644,
&end
#
# 38 SER HN 43 ASN QD2 7.01
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2= 648, 649,
&end
#
# 38 SER HN 44 ALA HA 3.38
&rst
ixpk= 0, nxpk= 0, iat= 557, 655, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 38 SER HB2 39 LEU HN 6.06
&rst
ixpk= 0, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 38 SER HB2 41 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 561, 602, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 38 SER HB2 41 GLU QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 606, 607,
&end
#
# 38 SER HB2 43 ASN HD21 7.91
&rst
ixpk= 0, nxpk= 0, iat= 561, 648, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 38 SER HB2 43 ASN HD22 7.91
&rst
ixpk= 0, nxpk= 0, iat= 561, 649, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 38 SER HB3 39 LEU HN 6.06
&rst
ixpk= 0, nxpk= 0, iat= 562, 568, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 38 SER HB3 41 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 562, 602, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 38 SER HB3 41 GLU QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 606, 607,
&end
#
# 38 SER HB3 43 ASN HD21 7.91
&rst
ixpk= 0, nxpk= 0, iat= 562, 648, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 38 SER HB3 43 ASN HD22 7.91
&rst
ixpk= 0, nxpk= 0, iat= 562, 649, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 38 SER QB 41 GLU QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 561, 562,
igr2= 606, 607,
&end
#
# 38 SER QB 43 ASN HN 6.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 561, 562,
&end
#
# 38 SER QB 43 ASN QB 7.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90,
igr1= 561, 562,
igr2= 643, 644,
&end
#
# 38 SER QB 43 ASN QD2 6.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
igr1= 561, 562,
igr2= 648, 649,
&end
#
# 39 LEU HN 39 LEU HG 5.22
&rst
ixpk= 0, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 39 LEU HN 39 LEU QD1 5.74
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 577, 578, 579,
&end
#
# 39 LEU HN 39 LEU QD2 5.74
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 581, 582, 583,
&end
#
# 39 LEU HN 39 LEU QQD 5.38
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 581, 582, 583, 577, 578, 579,
&end
#
# 39 LEU HN 40 GLU HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 568, 587, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 39 LEU HN 41 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 568, 602, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 39 LEU HA 39 LEU HG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 LEU HA 39 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 577, 578, 579,
&end
#
# 39 LEU HA 39 LEU QD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 581, 582, 583,
&end
#
# 39 LEU HA 39 LEU QQD 3.89
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 581, 582, 583, 577, 578, 579,
&end
#
# 39 LEU HA 42 LYS HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 570, 617, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 39 LEU HA 42 LYS HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= 570, 619, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 39 LEU HA 43 ASN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 570, 639, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 39 LEU HB2 40 GLU HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 572, 587, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 39 LEU HB3 40 GLU HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 573, 587, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 39 LEU HG 40 GLU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 575, 587, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 39 LEU HG 40 GLU HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 575, 589, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 39 LEU HG 41 GLU HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 575, 602, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 LEU QD1 40 GLU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 577, 578, 579,
&end
#
# 39 LEU QD2 40 GLU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 581, 582, 583,
&end
#
# 39 LEU QQD 40 GLU HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 581, 582, 583, 577, 578, 579,
&end
#
# 39 LEU QQD 40 GLU HA 7.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 9.73, r4=10.23,
igr1= 581, 582, 583, 577, 578, 579,
&end
#
# 39 LEU QQD 40 GLU QG 6.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr1= 581, 582, 583, 577, 578, 579,
igr2= 594, 595,
&end
#
# 39 LEU QQD 41 GLU HN 7.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 9.91, r4=10.41,
igr1= 581, 582, 583, 577, 578, 579,
&end
#
# 39 LEU QQD 42 LYS HN 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 581, 582, 583, 577, 578, 579,
&end
#
# 40 GLU HN 40 GLU QB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 591, 592,
&end
#
# 40 GLU HN 40 GLU HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 587, 594, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 40 GLU HN 40 GLU HG3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 587, 595, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 40 GLU HN 40 GLU QG 4.28
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 594, 595,
&end
#
# 40 GLU HN 41 GLU HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 40 GLU HN 42 LYS HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 587, 617, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 40 GLU HA 41 GLU HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 589, 604, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 40 GLU HA 42 LYS HN 5.96
&rst
ixpk= 0, nxpk= 0, iat= 589, 617, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 40 GLU HB2 41 GLU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 591, 602, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 40 GLU HB3 41 GLU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 592, 602, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 40 GLU QB 41 GLU HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 591, 592,
&end
#
# 40 GLU QG 41 GLU HN 6.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 594, 595,
&end
#
# 40 GLU QG 42 LYS HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 594, 595,
&end
#
# 41 GLU HN 41 GLU HG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 602, 609, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 GLU HN 41 GLU HG3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 602, 610, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 GLU HN 42 LYS HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 602, 617, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 41 GLU HN 42 LYS HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 602, 619, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 41 GLU HA 42 LYS HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 604, 619, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 41 GLU HA 42 LYS QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 621, 622,
&end
#
# 41 GLU HA 43 ASN HD21 6.15
&rst
ixpk= 0, nxpk= 0, iat= 604, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 41 GLU HA 43 ASN HD22 6.15
&rst
ixpk= 0, nxpk= 0, iat= 604, 649, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 41 GLU HA 43 ASN QD2 5.83
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2= 648, 649,
&end
#
# 41 GLU QB 42 LYS HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 606, 607,
&end
#
# 41 GLU QB 43 ASN HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 606, 607,
&end
#
# 41 GLU QB 43 ASN QD2 7.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
igr1= 606, 607,
igr2= 648, 649,
&end
#
# 41 GLU HG2 43 ASN HD21 7.91
&rst
ixpk= 0, nxpk= 0, iat= 609, 648, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 41 GLU HG2 43 ASN HD22 7.91
&rst
ixpk= 0, nxpk= 0, iat= 609, 649, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 41 GLU HG3 43 ASN HD21 7.91
&rst
ixpk= 0, nxpk= 0, iat= 610, 648, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 41 GLU HG3 43 ASN HD22 7.91
&rst
ixpk= 0, nxpk= 0, iat= 610, 649, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 41 GLU QG 43 ASN QD2 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 609, 610,
igr2= 648, 649,
&end
#
# 42 LYS HN 42 LYS QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 621, 622,
&end
#
# 42 LYS HN 42 LYS HE2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 617, 630, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 LYS HN 42 LYS HE3 6.15
&rst
ixpk= 0, nxpk= 0, iat= 617, 631, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 LYS HN 42 LYS QE 6.02
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 630, 631,
&end
#
# 42 LYS HN 43 ASN HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 617, 639, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 42 LYS HN 43 ASN HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 617, 641, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 42 LYS HA 42 LYS HE2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 619, 630, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 42 LYS HA 42 LYS HE3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 619, 631, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 42 LYS HA 42 LYS QE 4.82
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 630, 631,
&end
#
# 42 LYS HA 43 ASN HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 619, 641, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 42 LYS QB 42 LYS HE2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 621, 622,
&end
#
# 42 LYS QB 42 LYS HE3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 621, 622,
&end
#
# 42 LYS QB 42 LYS QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 621, 622,
igr2= 630, 631,
&end
#
# 42 LYS QB 43 ASN HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 621, 622,
&end
#
# 43 ASN HN 43 ASN QD2 6.77
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 648, 649,
&end
#
# 43 ASN HN 44 ALA HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 639, 653, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 43 ASN HA 43 ASN HD21 6.15
&rst
ixpk= 0, nxpk= 0, iat= 641, 648, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 ASN HA 43 ASN HD22 6.15
&rst
ixpk= 0, nxpk= 0, iat= 641, 649, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 43 ASN HA 44 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 657, 658, 659,
&end
#
# 43 ASN HB2 44 ALA HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 643, 653, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 43 ASN HB3 44 ALA HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 644, 653, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 43 ASN QD2 44 ALA HN 7.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 648, 649,
&end
#
# 44 ALA HN 45 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 653, 663, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 44 ALA HN 45 THR HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= 653, 665, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 44 ALA HA 45 THR HN 2.81
&rst
ixpk= 0, nxpk= 0, iat= 655, 663, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 44 ALA HA 45 THR HB 5.68
&rst
ixpk= 0, nxpk= 0, iat= 655, 667, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 44 ALA QB 46 ILE QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 657, 658, 659,
igr2= 683, 684, 685,
&end
#
# 45 THR HN 45 THR QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 669, 670, 671,
&end
#
# 45 THR HN 46 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 663, 677, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 45 THR HN 46 ILE HB 5.99
&rst
ixpk= 0, nxpk= 0, iat= 663, 681, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 45 THR HN 46 ILE QG2 5.83
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 683, 684, 685,
&end
#
# 45 THR HA 45 THR QG2 2.78
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 669, 670, 671,
&end
#
# 45 THR HA 46 ILE QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 683, 684, 685,
&end
#
# 45 THR HB 46 ILE HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 667, 677, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 45 THR QG2 46 ILE HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 669, 670, 671,
&end
#
# 46 ILE HN 46 ILE HB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 677, 681, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 46 ILE HN 46 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 683, 684, 685,
&end
#
# 46 ILE HN 46 ILE HG12 5.64
&rst
ixpk= 0, nxpk= 0, iat= 677, 687, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 46 ILE HN 46 ILE HG13 5.64
&rst
ixpk= 0, nxpk= 0, iat= 677, 688, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 46 ILE HN 46 ILE QG1 5.32
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 687, 688,
&end
#
# 46 ILE HN 46 ILE QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 690, 691, 692,
&end
#
# 46 ILE HN 47 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 677, 696, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 46 ILE HN 47 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 677, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 46 ILE HA 46 ILE QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 690, 691, 692,
&end
#
# 46 ILE HB 47 ILE HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 681, 696, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 46 ILE HB 47 ILE HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 681, 698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 46 ILE QG2 46 ILE HG12 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 683, 684, 685,
&end
#
# 46 ILE QG2 46 ILE HG13 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 683, 684, 685,
&end
#
# 46 ILE QG2 46 ILE QG1 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 683, 684, 685,
igr2= 687, 688,
&end
#
# 46 ILE QG2 46 ILE QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 683, 684, 685,
igr2= 690, 691, 692,
&end
#
# 46 ILE QG2 47 ILE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 683, 684, 685,
&end
#
# 46 ILE QG2 48 TYR HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 683, 684, 685,
&end
#
# 46 ILE QG2 48 TYR QB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 683, 684, 685,
igr2= 719, 720,
&end
#
# 46 ILE QG2 48 TYR QD 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 683, 684, 685,
igr2= 723, 732,
&end
#
# 46 ILE QG2 58 LEU HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 683, 684, 685,
&end
#
# 46 ILE QG2 58 LEU HG 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 683, 684, 685,
&end
#
# 46 ILE QG2 58 LEU QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 683, 684, 685,
igr2= 893, 894, 895,
&end
#
# 46 ILE QG2 58 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 683, 684, 685,
igr2= 897, 898, 899,
&end
#
# 46 ILE QG2 58 LEU QQD 2.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 683, 684, 685,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 46 ILE HG12 53 GLN HE21 7.48
&rst
ixpk= 0, nxpk= 0, iat= 687, 815, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, &end
#
# 46 ILE HG12 53 GLN HE22 7.48
&rst
ixpk= 0, nxpk= 0, iat= 687, 816, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, &end
#
# 46 ILE HG13 53 GLN HE21 7.48
&rst
ixpk= 0, nxpk= 0, iat= 688, 815, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, &end
#
# 46 ILE HG13 53 GLN HE22 7.48
&rst
ixpk= 0, nxpk= 0, iat= 688, 816, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98, &end
#
# 46 ILE QG1 47 ILE HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 687, 688,
&end
#
# 46 ILE QG1 53 GLN QE2 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1= 687, 688,
igr2= 815, 816,
&end
#
# 46 ILE QD1 47 ILE HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 690, 691, 692,
&end
#
# 46 ILE QD1 48 TYR HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 690, 691, 692,
&end
#
# 46 ILE QD1 48 TYR QD 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 690, 691, 692,
igr2= 723, 732,
&end
#
# 46 ILE QD1 53 GLN QE2 7.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1= 690, 691, 692,
igr2= 815, 816,
&end
#
# 46 ILE QD1 58 LEU QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 690, 691, 692,
igr2= 893, 894, 895,
&end
#
# 46 ILE QD1 58 LEU QD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 690, 691, 692,
igr2= 897, 898, 899,
&end
#
# 46 ILE QD1 58 LEU QQD 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 690, 691, 692,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 47 ILE HN 47 ILE QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 702, 703, 704,
&end
#
# 47 ILE HN 47 ILE QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 706, 707,
&end
#
# 47 ILE HN 47 ILE QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 709, 710, 711,
&end
#
# 47 ILE HN 48 TYR QD 6.15
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 723, 732,
&end
#
# 47 ILE HA 47 ILE QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 709, 710, 711,
&end
#
# 47 ILE HA 48 TYR HN 2.87
&rst
ixpk= 0, nxpk= 0, iat= 698, 715, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 47 ILE HA 48 TYR QD 5.26
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 723, 732,
&end
#
# 47 ILE HB 47 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 709, 710, 711,
&end
#
# 47 ILE HB 48 TYR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 700, 715, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 47 ILE QG2 47 ILE QD1 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 702, 703, 704,
igr2= 709, 710, 711,
&end
#
# 47 ILE QG2 48 TYR HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 702, 703, 704,
&end
#
# 48 TYR HN 48 TYR QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 723, 732,
&end
#
# 48 TYR HN 48 TYR QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 725, 730,
&end
#
# 48 TYR HN 49 ASP HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 715, 736, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 48 TYR HA 49 ASP HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 717, 736, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 48 TYR HA 53 GLN QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 807, 808,
&end
#
# 48 TYR HA 53 GLN QG 6.15
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 810, 811,
&end
#
# 48 TYR HA 58 LEU QD1 6.15
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 893, 894, 895,
&end
#
# 48 TYR HA 58 LEU QD2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 897, 898, 899,
&end
#
# 48 TYR QB 49 ASP HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 719, 720,
&end
#
# 48 TYR QB 53 GLN HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 719, 720,
&end
#
# 48 TYR QB 53 GLN QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 719, 720,
igr2= 807, 808,
&end
#
# 48 TYR QB 53 GLN QG 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 719, 720,
igr2= 810, 811,
&end
#
# 48 TYR QB 58 LEU QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 719, 720,
igr2= 893, 894, 895,
&end
#
# 48 TYR QB 58 LEU QD2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 719, 720,
igr2= 897, 898, 899,
&end
#
# 48 TYR QB 58 LEU QQD 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 719, 720,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 48 TYR QD 49 ASP HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 723, 732,
&end
#
# 48 TYR QD 53 GLN HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 723, 732,
&end
#
# 48 TYR QD 53 GLN HA 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 723, 732,
&end
#
# 48 TYR QD 53 GLN QB 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 723, 732,
igr2= 807, 808,
&end
#
# 48 TYR QD 53 GLN QG 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 723, 732,
igr2= 810, 811,
&end
#
# 48 TYR QD 54 THR HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 723, 732,
&end
#
# 48 TYR QD 55 PRO QB 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 723, 732,
igr2= 841, 842,
&end
#
# 48 TYR QD 58 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 723, 732,
&end
#
# 48 TYR QD 58 LEU QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 723, 732,
igr2= 893, 894, 895,
&end
#
# 48 TYR QD 58 LEU QD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 723, 732,
igr2= 897, 898, 899,
&end
#
# 48 TYR QD 58 LEU QQD 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 723, 732,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 48 TYR QE 50 PRO HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 725, 730,
&end
#
# 48 TYR QE 53 GLN QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1= 725, 730,
igr2= 807, 808,
&end
#
# 48 TYR QE 54 THR HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 725, 730,
&end
#
# 48 TYR QE 54 THR HB 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 725, 730,
&end
#
# 48 TYR QE 55 PRO QB 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 725, 730,
igr2= 841, 842,
&end
#
# 48 TYR QE 55 PRO HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 725, 730,
&end
#
# 48 TYR QE 55 PRO HD3 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 725, 730,
&end
#
# 48 TYR QE 55 PRO QD 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 725, 730,
igr2= 835, 836,
&end
#
# 48 TYR QE 58 LEU QQD 6.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.94, r4=10.44,
igr1= 725, 730,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 49 ASP HN 50 PRO QD 5.88
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 749, 750,
&end
#
# 49 ASP HB2 50 PRO HD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 740, 749, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 49 ASP HB2 50 PRO HD3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 740, 750, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 49 ASP HB3 50 PRO HD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 741, 749, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 49 ASP HB3 50 PRO HD3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 741, 750, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 49 ASP QB 50 PRO QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 740, 741,
igr2= 749, 750,
&end
#
# 50 PRO QB 51 LYS HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 755, 756,
&end
#
# 50 PRO QB 51 LYS HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 755, 756,
&end
#
# 50 PRO QG 51 LYS HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 752, 753,
&end
#
# 50 PRO HD2 51 LYS HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 749, 762, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 50 PRO HD3 51 LYS HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 750, 762, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 50 PRO QD 51 LYS QB 7.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
igr1= 749, 750,
igr2= 766, 767,
&end
#
# 50 PRO QD 51 LYS QG 7.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.16, r4= 9.66,
igr1= 749, 750,
igr2= 769, 770,
&end
#
# 51 LYS HN 51 LYS HG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 762, 769, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 51 LYS HN 51 LYS HG3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 762, 770, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 51 LYS HN 51 LYS QG 3.34
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 769, 770,
&end
#
# 51 LYS HN 51 LYS QD 5.40
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 772, 773,
&end
#
# 51 LYS HN 51 LYS QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 775, 776,
&end
#
# 51 LYS HN 52 LEU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 762, 784, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 51 LYS HA 51 LYS QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 772, 773,
&end
#
# 51 LYS HA 51 LYS QE 5.20
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 775, 776,
&end
#
# 51 LYS HA 52 LEU QQD 5.91
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr2= 797, 798, 799, 793, 794, 795,
&end
#
# 51 LYS HA 53 GLN HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 764, 803, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 51 LYS HB2 51 LYS QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 772, 773,
&end
#
# 51 LYS HB2 52 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 766, 784, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 LYS HB3 51 LYS QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 772, 773,
&end
#
# 51 LYS HB3 52 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 767, 784, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 LYS QB 51 LYS QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 766, 767,
igr2= 772, 773,
&end
#
# 51 LYS QB 51 LYS QE 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 766, 767,
igr2= 775, 776,
&end
#
# 51 LYS QB 52 LEU HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 766, 767,
&end
#
# 51 LYS QB 53 GLN HN 6.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 766, 767,
&end
#
# 51 LYS QG 51 LYS QD 2.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr1= 769, 770,
igr2= 772, 773,
&end
#
# 51 LYS QG 52 LEU HN 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 769, 770,
&end
#
# 51 LYS QE 52 LEU QQD 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 775, 776,
igr2= 797, 798, 799, 793, 794, 795,
&end
#
# 52 LEU HN 52 LEU HG 5.92
&rst
ixpk= 0, nxpk= 0, iat= 784, 791, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 52 LEU HN 52 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 793, 794, 795,
&end
#
# 52 LEU HN 52 LEU QD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 797, 798, 799,
&end
#
# 52 LEU HN 52 LEU QQD 3.40
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 797, 798, 799, 793, 794, 795,
&end
#
# 52 LEU HN 53 GLN HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 784, 803, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 52 LEU HN 53 GLN HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= 784, 805, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 52 LEU HA 52 LEU HG 4.23
&rst
ixpk= 0, nxpk= 0, iat= 786, 791, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 52 LEU HA 52 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 793, 794, 795,
&end
#
# 52 LEU HA 52 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 797, 798, 799,
&end
#
# 52 LEU HA 52 LEU QQD 3.19
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 797, 798, 799, 793, 794, 795,
&end
#
# 52 LEU HA 53 GLN HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 786, 805, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 52 LEU HB2 52 LEU QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 793, 794, 795,
&end
#
# 52 LEU HB2 52 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 797, 798, 799,
&end
#
# 52 LEU HB3 52 LEU QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 793, 794, 795,
&end
#
# 52 LEU HB3 52 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 797, 798, 799,
&end
#
# 52 LEU QQD 53 GLN HN 6.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr1= 797, 798, 799, 793, 794, 795,
&end
#
# 53 GLN HN 53 GLN QG 4.81
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 810, 811,
&end
#
# 53 GLN HN 54 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 803, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLN HA 53 GLN HE21 5.94
&rst
ixpk= 0, nxpk= 0, iat= 805, 815, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 53 GLN HA 53 GLN HE22 5.94
&rst
ixpk= 0, nxpk= 0, iat= 805, 816, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 53 GLN HA 53 GLN QE2 5.81
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 815, 816,
&end
#
# 53 GLN HA 54 THR HN 3.01
&rst
ixpk= 0, nxpk= 0, iat= 805, 820, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 53 GLN HA 57 THR HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 805, 874, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 53 GLN HA 57 THR QG2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2= 876, 877, 878,
&end
#
# 53 GLN HB2 53 GLN HE21 5.55
&rst
ixpk= 0, nxpk= 0, iat= 807, 815, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 53 GLN HB2 53 GLN HE22 5.55
&rst
ixpk= 0, nxpk= 0, iat= 807, 816, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 53 GLN HB2 54 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 807, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLN HB3 53 GLN HE21 5.55
&rst
ixpk= 0, nxpk= 0, iat= 808, 815, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 53 GLN HB3 53 GLN HE22 5.55
&rst
ixpk= 0, nxpk= 0, iat= 808, 816, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 53 GLN HB3 54 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 808, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLN QB 57 THR QG2 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.48, r4= 9.98,
igr1= 807, 808,
igr2= 876, 877, 878,
&end
#
# 53 GLN QB 58 LEU QQD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 807, 808,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 53 GLN QG 54 THR HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 810, 811,
&end
#
# 53 GLN HE21 54 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 815, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLN HE21 58 LEU QD1 8.75
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
igr2= 893, 894, 895,
&end
#
# 53 GLN HE21 58 LEU QD2 8.75
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
igr2= 897, 898, 899,
&end
#
# 53 GLN HE22 54 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 53 GLN HE22 58 LEU QD1 8.75
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
igr2= 893, 894, 895,
&end
#
# 53 GLN HE22 58 LEU QD2 8.75
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
igr2= 897, 898, 899,
&end
#
# 53 GLN QE2 57 THR HB 6.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 815, 816,
&end
#
# 53 GLN QE2 58 LEU QQD 6.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 815, 816,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 54 THR HN 54 THR QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 826, 827, 828,
&end
#
# 54 THR HN 57 THR HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 820, 870, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 54 THR HN 57 THR QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 876, 877, 878,
&end
#
# 54 THR HA 55 PRO HD2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 822, 835, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 54 THR HA 55 PRO HD3 3.14
&rst
ixpk= 0, nxpk= 0, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 54 THR HA 55 PRO QD 2.91
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 835, 836,
&end
#
# 54 THR HA 56 LYS HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 822, 848, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 54 THR HB 55 PRO HA 5.87
&rst
ixpk= 0, nxpk= 0, iat= 824, 844, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 54 THR HB 55 PRO HG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 824, 838, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 54 THR HB 55 PRO HG3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 824, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 54 THR HB 55 PRO QG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 838, 839,
&end
#
# 54 THR HB 55 PRO HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 824, 835, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 54 THR HB 55 PRO HD3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 824, 836, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 54 THR HB 55 PRO QD 4.67
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 835, 836,
&end
#
# 54 THR HB 56 LYS HN 5.92
&rst
ixpk= 0, nxpk= 0, iat= 824, 848, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 54 THR HB 56 LYS HA 5.51
&rst
ixpk= 0, nxpk= 0, iat= 824, 850, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 54 THR HB 56 LYS QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 852, 853,
&end
#
# 54 THR HB 57 THR HN 5.63
&rst
ixpk= 0, nxpk= 0, iat= 824, 870, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 54 THR QG2 55 PRO QG 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 826, 827, 828,
igr2= 838, 839,
&end
#
# 54 THR QG2 55 PRO HD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 826, 827, 828,
&end
#
# 54 THR QG2 55 PRO HD3 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 826, 827, 828,
&end
#
# 54 THR QG2 55 PRO QD 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 826, 827, 828,
igr2= 835, 836,
&end
#
# 54 THR QG2 56 LYS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 826, 827, 828,
&end
#
# 55 PRO HA 58 LEU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 844, 884, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 55 PRO HA 58 LEU HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 844, 888, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 55 PRO HA 58 LEU HB3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 844, 889, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 55 PRO HA 58 LEU QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 888, 889,
&end
#
# 55 PRO HA 58 LEU QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 893, 894, 895,
&end
#
# 55 PRO HA 58 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 897, 898, 899,
&end
#
# 55 PRO HA 58 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 55 PRO HA 59 GLN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 844, 903, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 55 PRO QB 56 LYS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 841, 842,
&end
#
# 55 PRO QB 56 LYS HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 841, 842,
&end
#
# 55 PRO QB 58 LEU QQD 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
igr1= 841, 842,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 55 PRO QG 56 LYS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 838, 839,
&end
#
# 55 PRO QG 56 LYS HA 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 838, 839,
&end
#
# 55 PRO QG 56 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 838, 839,
igr2= 852, 853,
&end
#
# 55 PRO QD 56 LYS QB 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 835, 836,
igr2= 852, 853,
&end
#
# 55 PRO QD 57 THR HN 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 835, 836,
&end
#
# 56 LYS HN 56 LYS QB 3.46
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 852, 853,
&end
#
# 56 LYS HN 56 LYS HG2 5.53
&rst
ixpk= 0, nxpk= 0, iat= 848, 855, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 56 LYS HN 56 LYS HG3 5.53
&rst
ixpk= 0, nxpk= 0, iat= 848, 856, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 56 LYS HN 56 LYS QG 5.36
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 855, 856,
&end
#
# 56 LYS HN 56 LYS QD 7.03
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 858, 859,
&end
#
# 56 LYS HN 57 THR HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 848, 870, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 56 LYS HN 57 THR HB 6.15
&rst
ixpk= 0, nxpk= 0, iat= 848, 874, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 LYS HN 58 LEU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 848, 884, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 LYS HN 71 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1083,1084,1085,
&end
#
# 56 LYS HA 56 LYS HD2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 850, 858, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 56 LYS HA 56 LYS HD3 5.48
&rst
ixpk= 0, nxpk= 0, iat= 850, 859, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 56 LYS HA 56 LYS QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 858, 859,
&end
#
# 56 LYS HA 56 LYS HE2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 850, 861, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 LYS HA 56 LYS HE3 6.15
&rst
ixpk= 0, nxpk= 0, iat= 850, 862, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 56 LYS HA 56 LYS QE 5.83
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2= 861, 862,
&end
#
# 56 LYS HA 58 LEU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 850, 884, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 56 LYS HA 59 GLN HN 5.87
&rst
ixpk= 0, nxpk= 0, iat= 850, 903, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 56 LYS HA 59 GLN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 907, 908,
&end
#
# 56 LYS QB 56 LYS HD2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 852, 853,
&end
#
# 56 LYS QB 56 LYS HD3 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 852, 853,
&end
#
# 56 LYS QB 56 LYS QD 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 852, 853,
igr2= 858, 859,
&end
#
# 56 LYS QB 56 LYS HE2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 852, 853,
&end
#
# 56 LYS QB 56 LYS HE3 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 852, 853,
&end
#
# 56 LYS QB 56 LYS QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 852, 853,
igr2= 861, 862,
&end
#
# 56 LYS QB 57 THR HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 852, 853,
&end
#
# 56 LYS QB 57 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 852, 853,
&end
#
# 56 LYS QG 57 THR HN 6.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 855, 856,
&end
#
# 56 LYS QG 59 GLN QB 6.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 855, 856,
igr2= 907, 908,
&end
#
# 56 LYS QG 60 GLU QG 6.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 855, 856,
igr2= 927, 928,
&end
#
# 56 LYS QD 57 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 858, 859,
&end
#
# 56 LYS QD 58 LEU HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 858, 859,
&end
#
# 57 THR HN 58 LEU HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= 870, 884, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 57 THR HA 57 THR QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 876, 877, 878,
&end
#
# 57 THR HA 60 GLU HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 872, 920, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 57 THR HA 60 GLU QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 924, 925,
&end
#
# 57 THR HA 60 GLU QG 5.47
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 927, 928,
&end
#
# 57 THR HB 58 LEU HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 874, 884, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 57 THR HB 60 GLU QB 6.15
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 924, 925,
&end
#
# 57 THR QG2 58 LEU HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 876, 877, 878,
&end
#
# 57 THR QG2 58 LEU HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 876, 877, 878,
&end
#
# 58 LEU HN 58 LEU QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 888, 889,
&end
#
# 58 LEU HN 58 LEU HG 5.37
&rst
ixpk= 0, nxpk= 0, iat= 884, 891, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 58 LEU HN 58 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 893, 894, 895,
&end
#
# 58 LEU HN 58 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 897, 898, 899,
&end
#
# 58 LEU HN 58 LEU QQD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 58 LEU HN 59 GLN HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 884, 903, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 58 LEU HN 59 GLN QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 910, 911,
&end
#
# 58 LEU HN 60 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= 884, 920, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 58 LEU HN 61 ALA HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 884, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 LEU HA 58 LEU HG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 58 LEU HA 58 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 893, 894, 895,
&end
#
# 58 LEU HA 58 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 897, 898, 899,
&end
#
# 58 LEU HA 58 LEU QQD 3.53
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 897, 898, 899, 893, 894, 895,
&end
#
# 58 LEU HA 61 ALA HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 886, 935, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 58 LEU HA 61 ALA QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 939, 940, 941,
&end
#
# 58 LEU HB2 59 GLN HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 888, 903, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 58 LEU HB3 59 GLN HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 889, 903, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 58 LEU QB 59 GLN HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 888, 889,
&end
#
# 58 LEU QB 59 GLN HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 888, 889,
&end
#
# 58 LEU QB 59 GLN QG 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 888, 889,
igr2= 910, 911,
&end
#
# 58 LEU QQD 59 GLN HN 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 897, 898, 899, 893, 894, 895,
&end
#
# 58 LEU QQD 60 GLU HN 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 897, 898, 899, 893, 894, 895,
&end
#
# 59 GLN HN 59 GLN QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 910, 911,
&end
#
# 59 GLN HN 59 GLN QE2 7.01
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2= 915, 916,
&end
#
# 59 GLN HN 60 GLU HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 903, 920, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 59 GLN HN 61 ALA HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 903, 935, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 59 GLN HN 69 ALA QB 5.94
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1048,1049,1050,
&end
#
# 59 GLN HA 62 ILE HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 905, 945, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 59 GLN HA 62 ILE QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 955, 956,
&end
#
# 59 GLN HA 69 ALA QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1048,1049,1050,
&end
#
# 59 GLN HB2 59 GLN HE21 5.58
&rst
ixpk= 0, nxpk= 0, iat= 907, 915, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 59 GLN HB2 59 GLN HE22 5.58
&rst
ixpk= 0, nxpk= 0, iat= 907, 916, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 59 GLN HB2 60 GLU HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 907, 920, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 59 GLN HB3 59 GLN HE21 5.58
&rst
ixpk= 0, nxpk= 0, iat= 908, 915, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 59 GLN HB3 59 GLN HE22 5.58
&rst
ixpk= 0, nxpk= 0, iat= 908, 916, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 59 GLN HB3 60 GLU HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 908, 920, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 59 GLN QB 60 GLU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 907, 908,
&end
#
# 59 GLN QB 60 GLU HA 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 907, 908,
&end
#
# 59 GLN QB 62 ILE HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 907, 908,
&end
#
# 59 GLN QB 71 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 907, 908,
igr2=1083,1084,1085,
&end
#
# 59 GLN QG 60 GLU HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 910, 911,
&end
#
# 59 GLN QG 69 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 910, 911,
igr2=1048,1049,1050,
&end
#
# 59 GLN QG 70 VAL HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 910, 911,
&end
#
# 59 GLN QG 70 VAL HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 910, 911,
&end
#
# 59 GLN QG 71 ILE HN 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 910, 911,
&end
#
# 59 GLN QG 71 ILE HG12 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 910, 911,
&end
#
# 59 GLN QG 71 ILE HG13 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 910, 911,
&end
#
# 59 GLN QG 71 ILE QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 910, 911,
igr2=1083,1084,1085,
&end
#
# 59 GLN HE21 70 VAL HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 915,1056, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 GLN HE21 71 ILE HN 5.72
&rst
ixpk= 0, nxpk= 0, iat= 915,1070, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 59 GLN HE21 71 ILE HG12 6.41
&rst
ixpk= 0, nxpk= 0, iat= 915,1080, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 59 GLN HE21 71 ILE HG13 6.41
&rst
ixpk= 0, nxpk= 0, iat= 915,1081, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 59 GLN HE22 70 VAL HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 916,1056, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 59 GLN HE22 71 ILE HN 5.72
&rst
ixpk= 0, nxpk= 0, iat= 916,1070, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 59 GLN HE22 71 ILE HG12 6.41
&rst
ixpk= 0, nxpk= 0, iat= 916,1080, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 59 GLN HE22 71 ILE HG13 6.41
&rst
ixpk= 0, nxpk= 0, iat= 916,1081, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 59 GLN QE2 70 VAL HA 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 915, 916,
&end
#
# 59 GLN QE2 71 ILE HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 915, 916,
&end
#
# 59 GLN QE2 71 ILE QG1 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 915, 916,
igr2=1080,1081,
&end
#
# 59 GLN QE2 71 ILE QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 915, 916,
igr2=1083,1084,1085,
&end
#
# 60 GLU HN 60 GLU QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 924, 925,
&end
#
# 60 GLU HN 60 GLU QG 3.89
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 927, 928,
&end
#
# 60 GLU HN 61 ALA HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 60 GLU HN 61 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 939, 940, 941,
&end
#
# 60 GLU HA 61 ALA HA 5.61
&rst
ixpk= 0, nxpk= 0, iat= 922, 937, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 60 GLU HA 62 ILE HN 6.08
&rst
ixpk= 0, nxpk= 0, iat= 922, 945, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 60 GLU HA 63 ASP HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 922, 964, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 60 GLU HA 63 ASP HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 922, 966, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 60 GLU HA 63 ASP QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 968, 969,
&end
#
# 60 GLU QB 61 ALA HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 924, 925,
&end
#
# 60 GLU QB 61 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 924, 925,
igr2= 939, 940, 941,
&end
#
# 60 GLU QG 61 ALA HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 927, 928,
&end
#
# 61 ALA HN 61 ALA QB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 939, 940, 941,
&end
#
# 61 ALA HN 62 ILE HN 3.23
&rst
ixpk= 0, nxpk= 0, iat= 935, 945, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 61 ALA HN 62 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 958, 959, 960,
&end
#
# 61 ALA HA 63 ASP HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 937, 964, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 61 ALA HA 64 ASP HN 6.06
&rst
ixpk= 0, nxpk= 0, iat= 937, 976, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 61 ALA QB 62 ILE HN 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 939, 940, 941,
&end
#
# 61 ALA QB 62 ILE HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 939, 940, 941,
&end
#
# 61 ALA QB 62 ILE QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 939, 940, 941,
igr2= 955, 956,
&end
#
# 61 ALA QB 63 ASP HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 939, 940, 941,
&end
#
# 62 ILE HN 62 ILE HB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 945, 949, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 62 ILE HN 62 ILE QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 951, 952, 953,
&end
#
# 62 ILE HN 62 ILE QG1 3.17
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 955, 956,
&end
#
# 62 ILE HN 62 ILE QD1 2.79
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2= 958, 959, 960,
&end
#
# 62 ILE HN 63 ASP HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 945, 964, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 62 ILE HN 63 ASP HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 945, 966, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 62 ILE HN 63 ASP HB2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 945, 968, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 62 ILE HN 63 ASP HB3 6.15
&rst
ixpk= 0, nxpk= 0, iat= 945, 969, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 62 ILE HN 63 ASP QB 5.79
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 968, 969,
&end
#
# 62 ILE HN 64 ASP HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 945, 976, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 62 ILE HA 62 ILE QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 958, 959, 960,
&end
#
# 62 ILE HA 64 ASP HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 947, 976, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 62 ILE HB 62 ILE QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 958, 959, 960,
&end
#
# 62 ILE HB 63 ASP HN 5.96
&rst
ixpk= 0, nxpk= 0, iat= 949, 964, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 62 ILE QG2 62 ILE QD1 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 951, 952, 953,
igr2= 958, 959, 960,
&end
#
# 62 ILE QG2 63 ASP HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 951, 952, 953,
&end
#
# 62 ILE QG2 65 MET QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 951, 952, 953,
igr2= 999,1000,1001,
&end
#
# 62 ILE QG2 66 GLY QA 6.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr1= 951, 952, 953,
igr2=1007,1008,
&end
#
# 62 ILE QG2 67 PHE HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 951, 952, 953,
&end
#
# 62 ILE QG2 67 PHE HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 951, 952, 953,
&end
#
# 62 ILE QG2 67 PHE QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 951, 952, 953,
igr2=1020,1028,
&end
#
# 62 ILE QG2 68 ASP HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 951, 952, 953,
&end
#
# 62 ILE QG2 69 ALA QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 951, 952, 953,
igr2=1048,1049,1050,
&end
#
# 62 ILE QG1 63 ASP HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 955, 956,
&end
#
# 62 ILE QG1 69 ALA QB 2.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1= 955, 956,
igr2=1048,1049,1050,
&end
#
# 62 ILE QD1 63 ASP HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 958, 959, 960,
&end
#
# 62 ILE QD1 65 MET QE 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 958, 959, 960,
igr2= 999,1000,1001,
&end
#
# 62 ILE QD1 67 PHE QD 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 958, 959, 960,
igr2=1020,1028,
&end
#
# 62 ILE QD1 69 ALA HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 958, 959, 960,
&end
#
# 63 ASP HN 64 ASP HN 5.74
&rst
ixpk= 0, nxpk= 0, iat= 964, 976, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 63 ASP HA 67 PHE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 966,1012, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 63 ASP HB2 64 ASP HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 968, 976, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 63 ASP HB3 64 ASP HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 969, 976, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 63 ASP QB 64 ASP HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 968, 969,
&end
#
# 63 ASP QB 64 ASP HA 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 968, 969,
&end
#
# 64 ASP QB 67 PHE QD 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1= 980, 981,
igr2=1020,1028,
&end
#
# 65 MET QG 65 MET QE 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 995, 996,
igr2= 999,1000,1001,
&end
#
# 65 MET QE 66 GLY HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 999,1000,1001,
&end
#
# 65 MET QE 67 PHE QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 999,1000,1001,
igr2=1020,1028,
&end
#
# 65 MET QE 67 PHE QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 999,1000,1001,
igr2=1022,1026,
&end
#
# 65 MET QE 132 GLY QA 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 999,1000,1001,
igr2=2015,2016,
&end
#
# 66 GLY HA3 95 VAL QG1 9.25
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr2=1425,1426,1427,
&end
#
# 66 GLY HA3 95 VAL QG2 9.25
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr2=1429,1430,1431,
&end
#
# 66 GLY HA3 95 VAL QG1 9.25
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr2=1425,1426,1427,
&end
#
# 66 GLY HA3 95 VAL QG2 9.25
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr2=1429,1430,1431,
&end
#
# 66 GLY QA 95 VAL QQG 7.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.58, r4=12.08,
igr1=1007,1008,
igr2=1425,1426,1427,1429,1430,1431,
&end
#
# 67 PHE HN 67 PHE QD 4.60
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1020,1028,
&end
#
# 67 PHE HN 67 PHE QE 5.70
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1022,1026,
&end
#
# 67 PHE HN 68 ASP HN 4.58
&rst
ixpk= 0, nxpk= 0, iat=1012,1032, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 67 PHE HA 68 ASP QB 6.07
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1036,1037,
&end
#
# 67 PHE HA 94 ARG QD 6.05
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1405,1406,
&end
#
# 67 PHE HB2 68 ASP HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=1016,1032, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 67 PHE HB3 68 ASP HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=1017,1032, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 67 PHE QB 68 ASP HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1016,1017,
&end
#
# 67 PHE QB 68 ASP QB 6.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1016,1017,
igr2=1036,1037,
&end
#
# 67 PHE QB 94 ARG QD 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1=1016,1017,
igr2=1405,1406,
&end
#
# 67 PHE QD 68 ASP HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1020,1028,
&end
#
# 67 PHE QD 92 VAL QQG 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.65, r4=12.15,
igr1=1020,1028,
igr2=1374,1375,1376,1378,1379,1380,
&end
#
# 67 PHE QE 92 VAL QQG 6.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1=1022,1026,
igr2=1374,1375,1376,1378,1379,1380,
&end
#
# 68 ASP HN 68 ASP QB 3.49
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1036,1037,
&end
#
# 68 ASP HN 69 ALA HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=1032,1044, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 68 ASP HA 69 ALA HN 2.89
&rst
ixpk= 0, nxpk= 0, iat=1034,1044, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 68 ASP HA 69 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1048,1049,1050,
&end
#
# 68 ASP HB2 69 ALA HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1036,1044, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 68 ASP HB3 69 ALA HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1037,1044, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 68 ASP QB 70 VAL QQG 8.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.98, r4=13.48,
igr1=1036,1037,
igr2=1060,1061,1062,1064,1065,1066,
&end
#
# 69 ALA HN 70 VAL HA 6.15
&rst
ixpk= 0, nxpk= 0, iat=1044,1056, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 69 ALA HN 70 VAL QQG 6.41
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr2=1060,1061,1062,1064,1065,1066,
&end
#
# 69 ALA HA 70 VAL HN 3.07
&rst
ixpk= 0, nxpk= 0, iat=1046,1054, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 69 ALA HA 70 VAL HA 5.57
&rst
ixpk= 0, nxpk= 0, iat=1046,1056, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 69 ALA HA 70 VAL HB 5.58
&rst
ixpk= 0, nxpk= 0, iat=1046,1058, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 69 ALA QB 70 VAL HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1048,1049,1050,
&end
#
# 69 ALA QB 70 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1048,1049,1050,
&end
#
# 70 VAL HN 70 VAL HB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 70 VAL HN 70 VAL QQG 3.88
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1060,1061,1062,1064,1065,1066,
&end
#
# 70 VAL HN 71 ILE HA 4.64
&rst
ixpk= 0, nxpk= 0, iat=1054,1072, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 70 VAL HA 70 VAL QG1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1060,1061,1062,
&end
#
# 70 VAL HA 70 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1064,1065,1066,
&end
#
# 70 VAL HA 71 ILE HN 3.43
&rst
ixpk= 0, nxpk= 0, iat=1056,1070, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 70 VAL HA 71 ILE HA 5.55
&rst
ixpk= 0, nxpk= 0, iat=1056,1072, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 70 VAL HA 71 ILE HB 5.24
&rst
ixpk= 0, nxpk= 0, iat=1056,1074, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 70 VAL HA 71 ILE QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1083,1084,1085,
&end
#
# 70 VAL HB 71 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1058,1070, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 70 VAL HB 72 HIS QB 4.21
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1093,1094,
&end
#
# 70 VAL QG1 71 ILE HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1060,1061,1062,
&end
#
# 70 VAL QG2 71 ILE HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1064,1065,1066,
&end
#
# 70 VAL QQG 71 ILE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1060,1061,1062,1064,1065,1066,
&end
#
# 70 VAL QQG 71 ILE HA 6.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr1=1060,1061,1062,1064,1065,1066,
&end
#
# 71 ILE HN 71 ILE HB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1070,1074, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 71 ILE HN 71 ILE QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1076,1077,1078,
&end
#
# 71 ILE HN 71 ILE HG12 6.15
&rst
ixpk= 0, nxpk= 0, iat=1070,1080, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 ILE HN 71 ILE HG13 6.15
&rst
ixpk= 0, nxpk= 0, iat=1070,1081, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 ILE HN 71 ILE QG1 6.02
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=1080,1081,
&end
#
# 71 ILE HN 71 ILE QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1083,1084,1085,
&end
#
# 71 ILE HA 71 ILE QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1083,1084,1085,
&end
#
# 71 ILE HA 72 HIS HN 3.39
&rst
ixpk= 0, nxpk= 0, iat=1072,1089, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 71 ILE HA 72 HIS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1072,1102, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 71 ILE HB 71 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1083,1084,1085,
&end
#
# 71 ILE HB 72 HIS HN 4.66
&rst
ixpk= 0, nxpk= 0, iat=1074,1089, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 71 ILE QG2 71 ILE QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1076,1077,1078,
igr2=1083,1084,1085,
&end
#
# 71 ILE QG2 72 HIS HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1076,1077,1078,
&end
#
# 71 ILE QG2 72 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1076,1077,1078,
&end
#
# 71 ILE QG1 72 HIS HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1080,1081,
&end
#
# 72 HIS HN 72 HIS HD2 5.36
&rst
ixpk= 0, nxpk= 0, iat=1089,1102, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 72 HIS HA 72 HIS HD2 5.94
&rst
ixpk= 0, nxpk= 0, iat=1091,1102, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 75 PRO HB2 140 LEU QD1 7.02
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2=2139,2140,2141,
&end
#
# 75 PRO HB2 140 LEU QD2 7.02
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2=2143,2144,2145,
&end
#
# 75 PRO HB3 140 LEU QD1 7.02
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2=2139,2140,2141,
&end
#
# 75 PRO HB3 140 LEU QD2 7.02
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2=2143,2144,2145,
&end
#
# 75 PRO QB 77 HIS HD2 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1147,1148,
&end
#
# 75 PRO QB 140 LEU QQD 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr1=1147,1148,
igr2=2143,2144,2145,2139,2140,2141,
&end
#
# 75 PRO QG 140 LEU QQD 8.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.47, r4=12.97,
igr1=1144,1145,
igr2=2143,2144,2145,2139,2140,2141,
&end
#
# 75 PRO HD2 118 GLU HA 6.15
&rst
ixpk= 0, nxpk= 0, iat=1141,1790, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 75 PRO HD3 118 GLU HA 6.15
&rst
ixpk= 0, nxpk= 0, iat=1142,1790, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 75 PRO QD 118 GLU HA 6.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1141,1142,
&end
#
# 76 LYS HN 76 LYS QB 3.90
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1158,1159,
&end
#
# 76 LYS HN 76 LYS QG 5.43
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1161,1162,
&end
#
# 76 LYS HN 116 GLU QG 4.52
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1769,1770,
&end
#
# 76 LYS HN 141 GLU QB 6.69
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr2=2153,2154,
&end
#
# 76 LYS QB 76 LYS QE 6.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1158,1159,
igr2=1167,1168,
&end
#
# 76 LYS QB 116 GLU HA 6.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1=1158,1159,
&end
#
# 76 LYS QB 116 GLU QG 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1158,1159,
igr2=1769,1770,
&end
#
# 76 LYS QB 141 GLU HN 6.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2149, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1=1158,1159,
&end
#
# 76 LYS HG2 116 GLU QG 4.66
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1769,1770,
&end
#
# 76 LYS HG3 116 GLU QG 4.66
&rst
ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1769,1770,
&end
#
# 76 LYS QG 116 GLU HA 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1161,1162,
&end
#
# 76 LYS QG 116 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1161,1162,
igr2=1766,1767,
&end
#
# 76 LYS QG 116 GLU QG 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1161,1162,
igr2=1769,1770,
&end
#
# 76 LYS QG 141 GLU QB 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1=1161,1162,
igr2=2153,2154,
&end
#
# 76 LYS QE 77 HIS HD2 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1167,1168,
&end
#
# 76 LYS QE 103 LYS QG 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1=1167,1168,
igr2=1546,1547,
&end
#
# 76 LYS QE 116 GLU HB2 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1167,1168,
&end
#
# 76 LYS QE 116 GLU HB3 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1167,1168,
&end
#
# 76 LYS QE 116 GLU QG 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1167,1168,
igr2=1769,1770,
&end
#
# 77 HIS HN 77 HIS HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1176,1180, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 77 HIS HN 77 HIS HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat=1176,1181, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 77 HIS HN 79 PHE QE 4.82
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1218,1222,
&end
#
# 77 HIS HN 115 ILE HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1176,1743, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 77 HIS HN 115 ILE HB 4.37
&rst
ixpk= 0, nxpk= 0, iat=1176,1747, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 77 HIS HN 116 GLU QB 6.03
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=1766,1767,
&end
#
# 77 HIS HA 78 GLU QB 6.31
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr2=1197,1198,
&end
#
# 77 HIS HA 137 TYR QE 5.41
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2093,2098,
&end
#
# 77 HIS HB2 115 ILE HB 6.15
&rst
ixpk= 0, nxpk= 0, iat=1180,1747, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 HIS HB2 124 LEU QD1 8.87
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3=10.65, r4=11.15,
igr2=1883,1884,1885,
&end
#
# 77 HIS HB2 124 LEU QD2 8.87
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3=10.65, r4=11.15,
igr2=1887,1888,1889,
&end
#
# 77 HIS HB2 137 TYR QE 5.40
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2093,2098,
&end
#
# 77 HIS HB3 115 ILE HB 6.15
&rst
ixpk= 0, nxpk= 0, iat=1181,1747, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 77 HIS HB3 124 LEU QD1 8.87
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3=10.65, r4=11.15,
igr2=1883,1884,1885,
&end
#
# 77 HIS HB3 124 LEU QD2 8.87
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3=10.65, r4=11.15,
igr2=1887,1888,1889,
&end
#
# 77 HIS HB3 137 TYR QE 5.40
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2093,2098,
&end
#
# 77 HIS QB 79 PHE QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1180,1181,
igr2=1218,1222,
&end
#
# 77 HIS QB 124 LEU QQD 7.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
igr1=1180,1181,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 77 HIS QB 137 TYR QD 6.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
igr1=1180,1181,
igr2=2091,2100,
&end
#
# 77 HIS QB 137 TYR QE 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1180,1181,
igr2=2093,2098,
&end
#
# 77 HIS HD2 79 PHE QE 4.48
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1218,1222,
&end
#
# 77 HIS HD2 124 LEU QQD 6.75
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 77 HIS HD2 137 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2093,2098,
&end
#
# 78 GLU HN 78 GLU HG2 5.61
&rst
ixpk= 0, nxpk= 0, iat=1193,1200, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 78 GLU HN 78 GLU HG3 5.61
&rst
ixpk= 0, nxpk= 0, iat=1193,1201, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 78 GLU HN 78 GLU QG 5.35
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1200,1201,
&end
#
# 78 GLU HN 137 TYR QE 4.11
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2093,2098,
&end
#
# 78 GLU HN 139 GLY HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1193,2123, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 78 GLU HN 140 LEU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1193,2130, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 78 GLU HA 79 PHE HN 2.47
&rst
ixpk= 0, nxpk= 0, iat=1195,1208, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97, &end
#
# 78 GLU HA 79 PHE QD 5.39
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1216,1224,
&end
#
# 78 GLU HA 114 CYS HA 4.28
&rst
ixpk= 0, nxpk= 0, iat=1195,1734, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 78 GLU HA 114 CYS HB2 6.08
&rst
ixpk= 0, nxpk= 0, iat=1195,1736, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 78 GLU HA 114 CYS HB3 6.08
&rst
ixpk= 0, nxpk= 0, iat=1195,1737, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 78 GLU HA 114 CYS QB 5.75
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1736,1737,
&end
#
# 78 GLU HA 115 ILE HN 5.43
&rst
ixpk= 0, nxpk= 0, iat=1195,1743, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 78 GLU HA 138 LEU QQD 7.70
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr2=2117,2118,2119,2113,2114,2115,
&end
#
# 78 GLU HB2 79 PHE HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=1197,1208, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 78 GLU HB2 138 LEU QD1 7.16
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr2=2113,2114,2115,
&end
#
# 78 GLU HB2 138 LEU QD2 7.16
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr2=2117,2118,2119,
&end
#
# 78 GLU HB3 79 PHE HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=1198,1208, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 78 GLU HB3 138 LEU QD1 7.16
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr2=2113,2114,2115,
&end
#
# 78 GLU HB3 138 LEU QD2 7.16
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr2=2117,2118,2119,
&end
#
# 78 GLU QB 114 CYS HA 6.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=1197,1198,
&end
#
# 78 GLU QB 138 LEU HN 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1197,1198,
&end
#
# 78 GLU QB 138 LEU HA 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1197,1198,
&end
#
# 78 GLU QB 138 LEU QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1197,1198,
igr2=2108,2109,
&end
#
# 78 GLU QB 138 LEU QQD 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1=1197,1198,
igr2=2117,2118,2119,2113,2114,2115,
&end
#
# 78 GLU QB 139 GLY HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1197,1198,
&end
#
# 78 GLU QG 114 CYS HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1200,1201,
&end
#
# 78 GLU QG 138 LEU QQD 7.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.77, r4=12.27,
igr1=1200,1201,
igr2=2117,2118,2119,2113,2114,2115,
&end
#
# 79 PHE HN 79 PHE QD 4.41
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1216,1224,
&end
#
# 79 PHE HN 112 LYS HA 5.94
&rst
ixpk= 0, nxpk= 0, iat=1208,1696, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 79 PHE HN 113 VAL HN 3.60
&rst
ixpk= 0, nxpk= 0, iat=1208,1716, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 79 PHE HN 113 VAL QQG 7.61
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3=10.26, r4=10.76,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 79 PHE HN 114 CYS HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=1208,1734, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 79 PHE HA 80 SER HN 2.49
&rst
ixpk= 0, nxpk= 0, iat=1210,1228, r1= 1.30, r2= 1.80, r3= 2.49, r4= 2.99, &end
#
# 79 PHE HA 138 LEU HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=1210,2104, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 79 PHE HA 138 LEU QB 6.42
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2108,2109,
&end
#
# 79 PHE HA 138 LEU HG 5.18
&rst
ixpk= 0, nxpk= 0, iat=1210,2111, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 79 PHE HA 138 LEU QQD 5.02
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=2117,2118,2119,2113,2114,2115,
&end
#
# 79 PHE HB2 80 SER HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1212,1228, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 79 PHE HB2 81 VAL QG1 8.15
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr2=1245,1246,1247,
&end
#
# 79 PHE HB2 81 VAL QG2 8.15
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr2=1249,1250,1251,
&end
#
# 79 PHE HB2 135 VAL QG1 8.51
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3=10.22, r4=10.72,
igr2=2062,2063,2064,
&end
#
# 79 PHE HB2 135 VAL QG2 8.51
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3=10.22, r4=10.72,
igr2=2066,2067,2068,
&end
#
# 79 PHE HB3 80 SER HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1213,1228, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 79 PHE HB3 81 VAL QG1 8.15
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr2=1245,1246,1247,
&end
#
# 79 PHE HB3 81 VAL QG2 8.15
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr2=1249,1250,1251,
&end
#
# 79 PHE HB3 135 VAL QG1 8.51
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3=10.22, r4=10.72,
igr2=2062,2063,2064,
&end
#
# 79 PHE HB3 135 VAL QG2 8.51
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3=10.22, r4=10.72,
igr2=2066,2067,2068,
&end
#
# 79 PHE QB 80 SER HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1212,1213,
&end
#
# 79 PHE QB 81 VAL QQG 6.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
igr1=1212,1213,
igr2=1245,1246,1247,1249,1250,1251,
&end
#
# 79 PHE QB 113 VAL HB 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1212,1213,
&end
#
# 79 PHE QB 128 LEU QQD 6.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1212,1213,
igr2=1949,1950,1951,1945,1946,1947,
&end
#
# 79 PHE QB 135 VAL QQG 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
igr1=1212,1213,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 79 PHE QD 113 VAL HB 6.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1216,1224,
&end
#
# 79 PHE QD 113 VAL QQG 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.65, r4=12.15,
igr1=1216,1224,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 79 PHE QD 115 ILE HB 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1216,1224,
&end
#
# 79 PHE QD 115 ILE QG2 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr1=1216,1224,
igr2=1749,1750,1751,
&end
#
# 79 PHE QD 115 ILE HG12 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1216,1224,
&end
#
# 79 PHE QD 115 ILE HG13 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1216,1224,
&end
#
# 79 PHE QD 115 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1216,1224,
igr2=1756,1757,1758,
&end
#
# 79 PHE QD 125 LEU HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1216,1224,
&end
#
# 79 PHE QD 125 LEU QQD 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1=1216,1224,
igr2=1906,1907,1908,1902,1903,1904,
&end
#
# 79 PHE QD 128 LEU QQD 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1216,1224,
igr2=1949,1950,1951,1945,1946,1947,
&end
#
# 79 PHE QD 135 VAL QQG 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr1=1216,1224,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 79 PHE QD 136 SER HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1216,1224,
&end
#
# 79 PHE QD 136 SER QB 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1=1216,1224,
igr2=2076,2077,
&end
#
# 79 PHE QD 137 TYR QB 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1216,1224,
igr2=2087,2088,
&end
#
# 79 PHE QD 137 TYR QD 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1=1216,1224,
igr2=2091,2100,
&end
#
# 79 PHE QE 115 ILE HB 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1218,1222,
&end
#
# 79 PHE QE 115 ILE HG12 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1218,1222,
&end
#
# 79 PHE QE 115 ILE HG13 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1218,1222,
&end
#
# 79 PHE QE 115 ILE QG1 6.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1=1218,1222,
igr2=1753,1754,
&end
#
# 79 PHE QE 121 MET HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1218,1222,
&end
#
# 79 PHE QE 121 MET HG2 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1218,1222,
&end
#
# 79 PHE QE 121 MET HG3 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1218,1222,
&end
#
# 79 PHE QE 121 MET QG 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1218,1222,
igr2=1838,1839,
&end
#
# 79 PHE QE 124 LEU QB 6.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1=1218,1222,
igr2=1878,1879,
&end
#
# 79 PHE QE 124 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1218,1222,
igr2=1883,1884,1885,
&end
#
# 79 PHE QE 124 LEU QD2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1218,1222,
igr2=1887,1888,1889,
&end
#
# 79 PHE QE 124 LEU QQD 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1218,1222,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 79 PHE QE 125 LEU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1218,1222,
&end
#
# 79 PHE QE 125 LEU HB2 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1218,1222,
&end
#
# 79 PHE QE 125 LEU HB3 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1218,1222,
&end
#
# 79 PHE QE 137 TYR QD 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1=1218,1222,
igr2=2091,2100,
&end
#
# 80 SER HN 80 SER QB 3.79
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1232,1233,
&end
#
# 80 SER HN 81 VAL HN 5.24
&rst
ixpk= 0, nxpk= 0, iat=1228,1239, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 80 SER HN 136 SER HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=1228,2072, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 80 SER HN 138 LEU HG 4.17
&rst
ixpk= 0, nxpk= 0, iat=1228,2111, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 80 SER HN 138 LEU QD1 5.92
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=2113,2114,2115,
&end
#
# 80 SER HN 138 LEU QD2 5.92
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=2117,2118,2119,
&end
#
# 80 SER HN 138 LEU QQD 5.10
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=2117,2118,2119,2113,2114,2115,
&end
#
# 80 SER HB2 81 VAL HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1232,1239, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 80 SER HB2 136 SER HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=1232,2072, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 80 SER HB2 138 LEU HG 5.20
&rst
ixpk= 0, nxpk= 0, iat=1232,2111, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 80 SER HB2 138 LEU QD1 6.90
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2=2113,2114,2115,
&end
#
# 80 SER HB2 138 LEU QD2 6.90
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2=2117,2118,2119,
&end
#
# 80 SER HB3 81 VAL HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1233,1239, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 80 SER HB3 136 SER HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=1233,2072, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 80 SER HB3 138 LEU HG 5.20
&rst
ixpk= 0, nxpk= 0, iat=1233,2111, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 80 SER HB3 138 LEU QD1 6.90
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2=2113,2114,2115,
&end
#
# 80 SER HB3 138 LEU QD2 6.90
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2=2117,2118,2119,
&end
#
# 80 SER QB 135 VAL HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1232,1233,
&end
#
# 80 SER QB 135 VAL QQG 8.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.76, r4=13.26,
igr1=1232,1233,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 80 SER QB 138 LEU QB 7.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1232,1233,
igr2=2108,2109,
&end
#
# 80 SER QB 138 LEU HG 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1232,1233,
&end
#
# 80 SER QB 138 LEU QQD 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1232,1233,
igr2=2117,2118,2119,2113,2114,2115,
&end
#
# 81 VAL HN 81 VAL HB 4.16
&rst
ixpk= 0, nxpk= 0, iat=1239,1243, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 81 VAL HN 81 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1245,1246,1247,
&end
#
# 81 VAL HN 81 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1249,1250,1251,
&end
#
# 81 VAL HN 81 VAL QQG 4.28
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1245,1246,1247,1249,1250,1251,
&end
#
# 81 VAL HN 111 LYS QB 5.20
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1676,1677,
&end
#
# 81 VAL HN 112 LYS HA 4.55
&rst
ixpk= 0, nxpk= 0, iat=1239,1696, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 81 VAL HB 133 LYS QE 4.85
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2033,2034,
&end
#
# 81 VAL QG1 83 MET HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1245,1246,1247,
&end
#
# 81 VAL QG1 135 VAL HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1245,1246,1247,
&end
#
# 81 VAL QG2 83 MET HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1249,1250,1251,
&end
#
# 81 VAL QG2 135 VAL HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1249,1250,1251,
&end
#
# 81 VAL QQG 83 MET HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1245,1246,1247,1249,1250,1251,
&end
#
# 81 VAL QQG 112 LYS HA 6.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1=1245,1246,1247,1249,1250,1251,
&end
#
# 81 VAL QQG 135 VAL HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1245,1246,1247,1249,1250,1251,
&end
#
# 81 VAL QQG 135 VAL HB 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1=1245,1246,1247,1249,1250,1251,
&end
#
# 81 VAL QQG 136 SER HN 7.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2072, r1= 1.30, r2= 1.80, r3=10.18, r4=10.68,
igr1=1245,1246,1247,1249,1250,1251,
&end
#
# 82 ASP HA 111 LYS QB 7.03
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2=1676,1677,
&end
#
# 82 ASP HB2 134 THR HB 5.06
&rst
ixpk= 0, nxpk= 0, iat=1259,2046, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 82 ASP HB3 134 THR HB 5.06
&rst
ixpk= 0, nxpk= 0, iat=1260,2046, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 82 ASP QB 134 THR HN 6.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1=1259,1260,
&end
#
# 83 MET HN 83 MET QG 4.35
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1274,1275,
&end
#
# 83 MET QG 92 VAL QQG 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.65, r4=12.15,
igr1=1274,1275,
igr2=1374,1375,1376,1378,1379,1380,
&end
#
# 83 MET QG 106 ILE QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1274,1275,
igr2=1600,1601,1602,
&end
#
# 85 CYG HN 111 LYS QD 5.25
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1682,1683,
&end
#
# 86 GLY HA3 89 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1337,1338,1339,
&end
#
# 86 GLY HA3 108 LEU QD1 8.04
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
igr2=1634,1635,1636,
&end
#
# 86 GLY HA3 108 LEU QD2 8.04
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
igr2=1638,1639,1640,
&end
#
# 86 GLY HA3 89 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1337,1338,1339,
&end
#
# 86 GLY HA3 108 LEU QD1 8.04
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
igr2=1634,1635,1636,
&end
#
# 86 GLY HA3 108 LEU QD2 8.04
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
igr2=1638,1639,1640,
&end
#
# 86 GLY QA 89 ALA QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1310,1311,
igr2=1337,1338,1339,
&end
#
# 86 GLY QA 108 LEU QQD 6.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
igr1=1310,1311,
igr2=1638,1639,1640,1634,1635,1636,
&end
#
# 87 GLY HA3 90 GLU HB2 7.07
&rst
ixpk= 0, nxpk= 0, iat=1318,1347, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 87 GLY HA3 90 GLU HB3 7.07
&rst
ixpk= 0, nxpk= 0, iat=1318,1348, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 87 GLY HA3 90 GLU HB2 7.07
&rst
ixpk= 0, nxpk= 0, iat=1318,1347, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 87 GLY HA3 90 GLU HB3 7.07
&rst
ixpk= 0, nxpk= 0, iat=1318,1348, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, &end
#
# 87 GLY QA 89 ALA HN 6.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1317,1318,
&end
#
# 87 GLY QA 90 GLU QB 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1=1317,1318,
igr2=1347,1348,
&end
#
# 88 CYS HA 91 ALA QB 6.04
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2=1362,1363,1364,
&end
#
# 89 ALA HN 90 GLU QB 5.93
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=1347,1348,
&end
#
# 89 ALA HA 92 VAL QQG 7.18
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr2=1374,1375,1376,1378,1379,1380,
&end
#
# 89 ALA HA 106 ILE QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1600,1601,1602,
&end
#
# 89 ALA HA 106 ILE QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1607,1608,1609,
&end
#
# 89 ALA QB 90 GLU HN 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1337,1338,1339,
&end
#
# 89 ALA QB 90 GLU HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1337,1338,1339,
&end
#
# 89 ALA QB 92 VAL QQG 7.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1=1337,1338,1339,
igr2=1374,1375,1376,1378,1379,1380,
&end
#
# 89 ALA QB 106 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1337,1338,1339,
igr2=1600,1601,1602,
&end
#
# 89 ALA QB 106 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1337,1338,1339,
igr2=1607,1608,1609,
&end
#
# 90 GLU HN 90 GLU QB 3.89
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1347,1348,
&end
#
# 90 GLU HN 90 GLU QG 5.69
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1350,1351,
&end
#
# 90 GLU HN 91 ALA HN 3.95
&rst
ixpk= 0, nxpk= 0, iat=1343,1358, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 90 GLU HA 93 SER HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1345,1384, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 90 GLU QG 106 ILE QD1 6.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
igr1=1350,1351,
igr2=1607,1608,1609,
&end
#
# 91 ALA HN 91 ALA QB 3.38
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1362,1363,1364,
&end
#
# 91 ALA HN 92 VAL HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1358,1368, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 91 ALA HN 92 VAL HA 5.72
&rst
ixpk= 0, nxpk= 0, iat=1358,1370, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 91 ALA HA 94 ARG HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1360,1395, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 92 VAL HN 93 SER HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1368,1384, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 92 VAL HN 131 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2005,2006,2007,
&end
#
# 92 VAL HA 131 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2005,2006,2007,
&end
#
# 92 VAL HB 93 SER HN 4.63
&rst
ixpk= 0, nxpk= 0, iat=1372,1384, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 92 VAL HB 106 ILE QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1607,1608,1609,
&end
#
# 92 VAL QG1 93 SER HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1374,1375,1376,
&end
#
# 92 VAL QG1 104 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1=1374,1375,1376,
igr2=1571,1576,
&end
#
# 92 VAL QG1 128 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
igr1=1374,1375,1376,
igr2=1945,1946,1947,
&end
#
# 92 VAL QG1 128 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
igr1=1374,1375,1376,
igr2=1949,1950,1951,
&end
#
# 92 VAL QG1 133 LYS HE2 8.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
igr1=1374,1375,1376,
&end
#
# 92 VAL QG1 133 LYS HE3 8.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
igr1=1374,1375,1376,
&end
#
# 92 VAL QG2 93 SER HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1378,1379,1380,
&end
#
# 92 VAL QG2 104 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1=1378,1379,1380,
igr2=1571,1576,
&end
#
# 92 VAL QG2 128 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
igr1=1378,1379,1380,
igr2=1945,1946,1947,
&end
#
# 92 VAL QG2 128 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
igr1=1378,1379,1380,
igr2=1949,1950,1951,
&end
#
# 92 VAL QG2 133 LYS HE2 8.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2033, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
igr1=1378,1379,1380,
&end
#
# 92 VAL QG2 133 LYS HE3 8.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
igr1=1378,1379,1380,
&end
#
# 92 VAL QQG 93 SER HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1374,1375,1376,1378,1379,1380,
&end
#
# 92 VAL QQG 93 SER HA 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1=1374,1375,1376,1378,1379,1380,
&end
#
# 92 VAL QQG 96 LEU QQD 7.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.08, r4=13.58,
igr1=1374,1375,1376,1378,1379,1380,
igr2=1448,1449,1450,1444,1445,1446,
&end
#
# 92 VAL QQG 104 TYR QE 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1374,1375,1376,1378,1379,1380,
igr2=1571,1576,
&end
#
# 92 VAL QQG 106 ILE QD1 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.26, r4= 9.76,
igr1=1374,1375,1376,1378,1379,1380,
igr2=1607,1608,1609,
&end
#
# 92 VAL QQG 128 LEU HG 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1943, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=1374,1375,1376,1378,1379,1380,
&end
#
# 92 VAL QQG 128 LEU QQD 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.50, r4=10.00,
igr1=1374,1375,1376,1378,1379,1380,
igr2=1949,1950,1951,1945,1946,1947,
&end
#
# 92 VAL QQG 131 THR QG2 6.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
igr1=1374,1375,1376,1378,1379,1380,
igr2=2005,2006,2007,
&end
#
# 92 VAL QQG 133 LYS QE 6.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
igr1=1374,1375,1376,1378,1379,1380,
igr2=2033,2034,
&end
#
# 93 SER HN 106 ILE QD1 5.80
&rst
ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1607,1608,1609,
&end
#
# 93 SER HA 96 LEU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1386,1435, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 93 SER HA 96 LEU HB2 5.99
&rst
ixpk= 0, nxpk= 0, iat=1386,1439, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 93 SER HA 96 LEU HB3 5.99
&rst
ixpk= 0, nxpk= 0, iat=1386,1440, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 93 SER HA 96 LEU QB 5.61
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1439,1440,
&end
#
# 93 SER HA 96 LEU QQD 7.70
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr2=1448,1449,1450,1444,1445,1446,
&end
#
# 93 SER HA 97 ASN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1386,1454, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 93 SER HA 104 TYR QE 5.83
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1571,1576,
&end
#
# 93 SER HA 106 ILE QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1607,1608,1609,
&end
#
# 93 SER HB2 104 TYR QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1571,1576,
&end
#
# 93 SER HB2 106 ILE QD1 5.69
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=1607,1608,1609,
&end
#
# 93 SER HB3 104 TYR QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1571,1576,
&end
#
# 93 SER HB3 106 ILE QD1 5.69
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=1607,1608,1609,
&end
#
# 93 SER QB 104 TYR QE 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1388,1389,
igr2=1571,1576,
&end
#
# 93 SER QB 106 ILE QG2 6.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1=1388,1389,
igr2=1600,1601,1602,
&end
#
# 93 SER QB 106 ILE QG1 7.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
igr1=1388,1389,
igr2=1604,1605,
&end
#
# 93 SER QB 106 ILE QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1388,1389,
igr2=1607,1608,1609,
&end
#
# 94 ARG HN 94 ARG HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1395,1399, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 94 ARG HN 94 ARG HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat=1395,1400, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 94 ARG HN 94 ARG QG 3.72
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1402,1403,
&end
#
# 94 ARG HA 97 ASN HN 3.64
&rst
ixpk= 0, nxpk= 0, iat=1397,1454, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 94 ARG HA 97 ASN HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1397,1458, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 94 ARG HA 97 ASN HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat=1397,1459, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 94 ARG HA 97 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat=1397,1463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 ARG HA 97 ASN HD22 6.00
&rst
ixpk= 0, nxpk= 0, iat=1397,1464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 ARG HA 97 ASN QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1463,1464,
&end
#
# 94 ARG QB 97 ASN HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1399,1400,
&end
#
# 94 ARG HG2 97 ASN HD21 7.91
&rst
ixpk= 0, nxpk= 0, iat=1402,1463, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 94 ARG HG2 97 ASN HD22 7.91
&rst
ixpk= 0, nxpk= 0, iat=1402,1464, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 94 ARG HG3 97 ASN HD21 7.91
&rst
ixpk= 0, nxpk= 0, iat=1403,1463, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 94 ARG HG3 97 ASN HD22 7.91
&rst
ixpk= 0, nxpk= 0, iat=1403,1464, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41, &end
#
# 94 ARG QG 97 ASN QD2 6.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1402,1403,
igr2=1463,1464,
&end
#
# 95 VAL QQG 96 LEU HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1425,1426,1427,1429,1430,1431,
&end
#
# 95 VAL QQG 98 LYS QB 8.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.98, r4=13.48,
igr1=1425,1426,1427,1429,1430,1431,
igr2=1472,1473,
&end
#
# 95 VAL QQG 130 LYS HN 7.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1977, r1= 1.30, r2= 1.80, r3=10.18, r4=10.68,
igr1=1425,1426,1427,1429,1430,1431,
&end
#
# 95 VAL QQG 130 LYS QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1425,1426,1427,1429,1430,1431,
igr2=1981,1982,
&end
#
# 95 VAL QQG 131 THR HA 6.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2001, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
igr1=1425,1426,1427,1429,1430,1431,
&end
#
# 95 VAL QQG 131 THR QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1425,1426,1427,1429,1430,1431,
igr2=2005,2006,2007,
&end
#
# 96 LEU HN 96 LEU QB 3.89
&rst
ixpk= 0, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1439,1440,
&end
#
# 96 LEU HN 96 LEU HG 4.47
&rst
ixpk= 0, nxpk= 0, iat=1435,1442, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 96 LEU HN 96 LEU QD1 6.15
&rst
ixpk= 0, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1444,1445,1446,
&end
#
# 96 LEU HN 96 LEU QD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1448,1449,1450,
&end
#
# 96 LEU HN 96 LEU QQD 5.22
&rst
ixpk= 0, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1448,1449,1450,1444,1445,1446,
&end
#
# 96 LEU HN 97 ASN HN 3.75
&rst
ixpk= 0, nxpk= 0, iat=1435,1454, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 96 LEU HA 96 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1444,1445,1446,
&end
#
# 96 LEU HA 96 LEU QD2 5.22
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1448,1449,1450,
&end
#
# 96 LEU HA 98 LYS HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=1437,1468, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 96 LEU HA 99 LEU HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=1437,1490, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 96 LEU HA 99 LEU HB2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1437,1494, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 96 LEU HA 99 LEU HB3 6.15
&rst
ixpk= 0, nxpk= 0, iat=1437,1495, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 96 LEU HA 99 LEU QB 5.77
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2=1494,1495,
&end
#
# 96 LEU HA 99 LEU QQD 7.70
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr2=1503,1504,1505,1499,1500,1501,
&end
#
# 96 LEU HA 127 THR QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1928,1929,1930,
&end
#
# 96 LEU HB2 97 ASN HN 3.67
&rst
ixpk= 0, nxpk= 0, iat=1439,1454, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 96 LEU HB3 97 ASN HN 3.67
&rst
ixpk= 0, nxpk= 0, iat=1440,1454, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 96 LEU QB 97 ASN HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1439,1440,
&end
#
# 96 LEU QB 102 VAL QQG 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.05, r4= 9.55,
igr1=1439,1440,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 96 LEU QB 104 TYR QD 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1439,1440,
igr2=1569,1578,
&end
#
# 96 LEU HG 97 ASN HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1442,1454, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 96 LEU QD1 102 VAL QG1 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1444,1445,1446,
igr2=1529,1530,1531,
&end
#
# 96 LEU QD1 102 VAL QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1444,1445,1446,
igr2=1533,1534,1535,
&end
#
# 96 LEU QD1 115 ILE QG2 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1=1444,1445,1446,
igr2=1749,1750,1751,
&end
#
# 96 LEU QD1 115 ILE HG12 9.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1444,1445,1446,
&end
#
# 96 LEU QD1 115 ILE HG13 9.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1444,1445,1446,
&end
#
# 96 LEU QD1 115 ILE QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1444,1445,1446,
igr2=1756,1757,1758,
&end
#
# 96 LEU QD2 102 VAL QG1 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1448,1449,1450,
igr2=1529,1530,1531,
&end
#
# 96 LEU QD2 102 VAL QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1448,1449,1450,
igr2=1533,1534,1535,
&end
#
# 96 LEU QD2 115 ILE QG2 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1=1448,1449,1450,
igr2=1749,1750,1751,
&end
#
# 96 LEU QD2 115 ILE HG12 9.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1448,1449,1450,
&end
#
# 96 LEU QD2 115 ILE HG13 9.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1448,1449,1450,
&end
#
# 96 LEU QD2 115 ILE QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1448,1449,1450,
igr2=1756,1757,1758,
&end
#
# 96 LEU QQD 97 ASN HN 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1=1448,1449,1450,1444,1445,1446,
&end
#
# 96 LEU QQD 99 LEU HG 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1=1448,1449,1450,1444,1445,1446,
&end
#
# 96 LEU QQD 102 VAL QQG 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 96 LEU QQD 104 TYR QB 7.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.79, r4=11.29,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1565,1566,
&end
#
# 96 LEU QQD 104 TYR QD 7.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.65, r4=11.15,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1569,1578,
&end
#
# 96 LEU QQD 104 TYR QE 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.65, r4=12.15,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1571,1576,
&end
#
# 96 LEU QQD 115 ILE QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1749,1750,1751,
&end
#
# 96 LEU QQD 115 ILE QG1 7.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.18, r4=11.68,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1753,1754,
&end
#
# 96 LEU QQD 115 ILE QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1756,1757,1758,
&end
#
# 96 LEU QQD 127 THR HB 7.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 9.81, r4=10.31,
igr1=1448,1449,1450,1444,1445,1446,
&end
#
# 96 LEU QQD 127 THR QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1928,1929,1930,
&end
#
# 96 LEU QQD 128 LEU HN 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1=1448,1449,1450,1444,1445,1446,
&end
#
# 96 LEU QQD 128 LEU QQD 7.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.41, r4=14.91,
igr1=1448,1449,1450,1444,1445,1446,
igr2=1949,1950,1951,1945,1946,1947,
&end
#
# 97 ASN HN 97 ASN HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=1454,1458, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 97 ASN HN 97 ASN HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat=1454,1459, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 97 ASN HN 98 LYS HN 4.03
&rst
ixpk= 0, nxpk= 0, iat=1454,1468, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 97 ASN HN 104 TYR QE 5.43
&rst
ixpk= 0, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1571,1576,
&end
#
# 97 ASN HA 100 GLY HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=1456,1509, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 97 ASN HA 102 VAL QQG 6.34
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 97 ASN HA 104 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1571,1576,
&end
#
# 97 ASN QB 98 LYS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1458,1459,
&end
#
# 97 ASN QB 104 TYR QE 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr1=1458,1459,
igr2=1571,1576,
&end
#
# 98 LYS HN 98 LYS HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1468,1472, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 98 LYS HN 98 LYS HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat=1468,1473, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 98 LYS HN 98 LYS HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1468,1475, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 98 LYS HN 98 LYS HG3 4.09
&rst
ixpk= 0, nxpk= 0, iat=1468,1476, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 98 LYS HN 98 LYS QD 5.33
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1478,1479,
&end
#
# 98 LYS HN 98 LYS QE 6.15
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1481,1482,
&end
#
# 98 LYS HN 99 LEU HN 4.22
&rst
ixpk= 0, nxpk= 0, iat=1468,1490, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 98 LYS HN 99 LEU HA 5.97
&rst
ixpk= 0, nxpk= 0, iat=1468,1492, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 98 LYS HN 100 GLY HN 4.09
&rst
ixpk= 0, nxpk= 0, iat=1468,1509, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 98 LYS HN 127 THR QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1928,1929,1930,
&end
#
# 98 LYS HA 98 LYS QD 3.87
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1478,1479,
&end
#
# 98 LYS HA 98 LYS QE 5.16
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1481,1482,
&end
#
# 98 LYS HB2 98 LYS QD 3.66
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1478,1479,
&end
#
# 98 LYS HB2 98 LYS QE 5.10
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1481,1482,
&end
#
# 98 LYS HB2 99 LEU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat=1472,1490, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 98 LYS HB3 98 LYS QD 3.66
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1478,1479,
&end
#
# 98 LYS HB3 98 LYS QE 5.10
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1481,1482,
&end
#
# 98 LYS HB3 99 LEU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat=1473,1490, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 98 LYS QB 98 LYS QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1472,1473,
igr2=1478,1479,
&end
#
# 98 LYS QB 99 LEU HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1472,1473,
&end
#
# 99 LEU HN 99 LEU QD1 6.15
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1499,1500,1501,
&end
#
# 99 LEU HN 99 LEU QD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1503,1504,1505,
&end
#
# 99 LEU HN 99 LEU QQD 5.79
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr2=1503,1504,1505,1499,1500,1501,
&end
#
# 99 LEU HN 100 GLY HN 4.11
&rst
ixpk= 0, nxpk= 0, iat=1490,1509, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 99 LEU HN 127 THR QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1928,1929,1930,
&end
#
# 99 LEU HA 99 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1499,1500,1501,
&end
#
# 99 LEU HA 99 LEU QD2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1503,1504,1505,
&end
#
# 99 LEU HA 99 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1503,1504,1505,1499,1500,1501,
&end
#
# 99 LEU HB2 100 GLY HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1494,1509, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 99 LEU HB2 102 VAL QG1 8.63
&rst
ixpk= 0, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3=10.36, r4=10.86,
igr2=1529,1530,1531,
&end
#
# 99 LEU HB2 102 VAL QG2 8.63
&rst
ixpk= 0, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3=10.36, r4=10.86,
igr2=1533,1534,1535,
&end
#
# 99 LEU HB3 100 GLY HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1495,1509, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 99 LEU HB3 102 VAL QG1 8.63
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3=10.36, r4=10.86,
igr2=1529,1530,1531,
&end
#
# 99 LEU HB3 102 VAL QG2 8.63
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3=10.36, r4=10.86,
igr2=1533,1534,1535,
&end
#
# 99 LEU QB 100 GLY HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1494,1495,
&end
#
# 99 LEU QB 102 VAL QQG 6.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.74, r4=10.24,
igr1=1494,1495,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 99 LEU HG 100 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 LEU HG 119 HIS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1497,1816, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 99 LEU HG 127 THR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1922, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 LEU QD1 102 VAL QG1 7.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.43, r4=10.93,
igr1=1499,1500,1501,
igr2=1529,1530,1531,
&end
#
# 99 LEU QD1 102 VAL QG2 7.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.43, r4=10.93,
igr1=1499,1500,1501,
igr2=1533,1534,1535,
&end
#
# 99 LEU QD1 119 HIS HD2 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1499,1500,1501,
&end
#
# 99 LEU QD1 123 THR QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1499,1500,1501,
igr2=1866,1867,1868,
&end
#
# 99 LEU QD2 102 VAL QG1 7.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.43, r4=10.93,
igr1=1503,1504,1505,
igr2=1529,1530,1531,
&end
#
# 99 LEU QD2 102 VAL QG2 7.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.43, r4=10.93,
igr1=1503,1504,1505,
igr2=1533,1534,1535,
&end
#
# 99 LEU QD2 119 HIS HD2 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1503,1504,1505,
&end
#
# 99 LEU QD2 123 THR QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1503,1504,1505,
igr2=1866,1867,1868,
&end
#
# 99 LEU QQD 100 GLY HN 6.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
igr1=1503,1504,1505,1499,1500,1501,
&end
#
# 99 LEU QQD 102 VAL QQG 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.32, r4=10.82,
igr1=1503,1504,1505,1499,1500,1501,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 99 LEU QQD 119 HIS QB 8.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.98, r4=13.48,
igr1=1503,1504,1505,1499,1500,1501,
igr2=1807,1808,
&end
#
# 99 LEU QQD 119 HIS HD2 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1=1503,1504,1505,1499,1500,1501,
&end
#
# 99 LEU QQD 123 THR QG2 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1503,1504,1505,1499,1500,1501,
igr2=1866,1867,1868,
&end
#
# 99 LEU QQD 124 LEU QQD 6.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.05, r4=12.55,
igr1=1503,1504,1505,1499,1500,1501,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 100 GLY HN 102 VAL QQG 5.28
&rst
ixpk= 0, nxpk= 0, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 100 GLY HA3 101 GLY QA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1518,1519,
&end
#
# 100 GLY HA3 102 VAL QG1 8.94
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
igr2=1529,1530,1531,
&end
#
# 100 GLY HA3 102 VAL QG2 8.94
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
igr2=1533,1534,1535,
&end
#
# 100 GLY HA3 101 GLY QA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1518,1519,
&end
#
# 100 GLY HA3 102 VAL QG1 8.94
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
igr2=1529,1530,1531,
&end
#
# 100 GLY HA3 102 VAL QG2 8.94
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3=10.74, r4=11.24,
igr2=1533,1534,1535,
&end
#
# 100 GLY QA 101 GLY QA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1511,1512,
igr2=1518,1519,
&end
#
# 100 GLY QA 102 VAL QQG 7.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.79, r4=11.29,
igr1=1511,1512,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 101 GLY HN 102 VAL HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1516,1523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 GLY HN 102 VAL QQG 7.33
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 101 GLY QA 102 VAL HN 2.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1518,1519,
&end
#
# 101 GLY QA 102 VAL QQG 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20,
igr1=1518,1519,
igr2=1529,1530,1531,1533,1534,1535,
&end
#
# 102 VAL HN 102 VAL QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1529,1530,1531,
&end
#
# 102 VAL HN 102 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1533,1534,1535,
&end
#
# 102 VAL HN 115 ILE QG2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1749,1750,1751,
&end
#
# 102 VAL HA 103 LYS HN 2.52
&rst
ixpk= 0, nxpk= 0, iat=1525,1539, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 102 VAL HA 103 LYS HB2 5.99
&rst
ixpk= 0, nxpk= 0, iat=1525,1543, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 102 VAL HA 103 LYS HB3 5.99
&rst
ixpk= 0, nxpk= 0, iat=1525,1544, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 102 VAL HA 103 LYS QB 5.31
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1543,1544,
&end
#
# 102 VAL HA 117 SER HB2 5.82
&rst
ixpk= 0, nxpk= 0, iat=1525,1781, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 102 VAL HA 117 SER HB3 5.82
&rst
ixpk= 0, nxpk= 0, iat=1525,1782, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 102 VAL HA 117 SER QB 5.11
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1781,1782,
&end
#
# 102 VAL HA 119 HIS HD2 6.14
&rst
ixpk= 0, nxpk= 0, iat=1525,1816, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 102 VAL HB 103 LYS HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=1527,1539, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 102 VAL HB 104 TYR QB 6.15
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1565,1566,
&end
#
# 102 VAL HB 104 TYR QD 6.15
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1569,1578,
&end
#
# 102 VAL HB 119 HIS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1527,1816, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 102 VAL QG1 103 LYS HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1529,1530,1531,
&end
#
# 102 VAL QG1 104 TYR QD 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1529,1530,1531,
igr2=1569,1578,
&end
#
# 102 VAL QG1 119 HIS HD2 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1529,1530,1531,
&end
#
# 102 VAL QG2 103 LYS HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1533,1534,1535,
&end
#
# 102 VAL QG2 104 TYR QD 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1533,1534,1535,
igr2=1569,1578,
&end
#
# 102 VAL QG2 119 HIS HD2 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1533,1534,1535,
&end
#
# 102 VAL QQG 103 LYS HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1529,1530,1531,1533,1534,1535,
&end
#
# 102 VAL QQG 104 TYR QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1529,1530,1531,1533,1534,1535,
igr2=1569,1578,
&end
#
# 102 VAL QQG 104 TYR QE 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.46, r4= 9.96,
igr1=1529,1530,1531,1533,1534,1535,
igr2=1571,1576,
&end
#
# 102 VAL QQG 117 SER QB 7.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.17, r4=11.67,
igr1=1529,1530,1531,1533,1534,1535,
igr2=1781,1782,
&end
#
# 102 VAL QQG 119 HIS HD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1816, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1529,1530,1531,1533,1534,1535,
&end
#
# 102 VAL QQG 124 LEU QQD 7.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.01, r4=13.51,
igr1=1529,1530,1531,1533,1534,1535,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 103 LYS HN 103 LYS QB 3.90
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1543,1544,
&end
#
# 103 LYS HN 103 LYS HG2 5.53
&rst
ixpk= 0, nxpk= 0, iat=1539,1546, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 103 LYS HN 103 LYS HG3 5.53
&rst
ixpk= 0, nxpk= 0, iat=1539,1547, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 103 LYS HN 103 LYS QG 4.98
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1546,1547,
&end
#
# 103 LYS HN 103 LYS QD 5.65
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1549,1550,
&end
#
# 103 LYS HN 103 LYS QE 5.36
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1552,1553,
&end
#
# 103 LYS HN 104 TYR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1539,1561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 LYS HN 115 ILE QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1749,1750,1751,
&end
#
# 103 LYS HN 116 GLU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=1539,1762, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 103 LYS HA 103 LYS QD 6.05
&rst
ixpk= 0, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1549,1550,
&end
#
# 103 LYS HB2 103 LYS QE 4.92
&rst
ixpk= 0, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1552,1553,
&end
#
# 103 LYS HB2 104 TYR HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=1543,1561, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 103 LYS HB2 116 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1543,1762, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 103 LYS HB2 116 GLU HA 5.57
&rst
ixpk= 0, nxpk= 0, iat=1543,1764, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 103 LYS HB3 103 LYS QE 4.92
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1552,1553,
&end
#
# 103 LYS HB3 104 TYR HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=1544,1561, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 103 LYS HB3 116 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1544,1762, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 103 LYS HB3 116 GLU HA 5.57
&rst
ixpk= 0, nxpk= 0, iat=1544,1764, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 103 LYS QB 116 GLU HN 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1543,1544,
&end
#
# 103 LYS QB 116 GLU HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1543,1544,
&end
#
# 103 LYS QB 116 GLU QB 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=1543,1544,
igr2=1766,1767,
&end
#
# 103 LYS HG2 104 TYR HN 5.41
&rst
ixpk= 0, nxpk= 0, iat=1546,1561, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 103 LYS HG3 104 TYR HN 5.41
&rst
ixpk= 0, nxpk= 0, iat=1547,1561, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 103 LYS QG 104 TYR HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1561, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1546,1547,
&end
#
# 104 TYR HN 104 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1571,1576,
&end
#
# 104 TYR HA 105 ASP QB 7.03
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2=1586,1587,
&end
#
# 104 TYR HA 113 VAL QQG 7.46
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3=10.06, r4=10.56,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 104 TYR HA 115 ILE HA 4.37
&rst
ixpk= 0, nxpk= 0, iat=1563,1745, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 104 TYR HA 115 ILE QG2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1749,1750,1751,
&end
#
# 104 TYR HA 115 ILE QG1 6.08
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=1753,1754,
&end
#
# 104 TYR HA 116 GLU HN 5.48
&rst
ixpk= 0, nxpk= 0, iat=1563,1762, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 104 TYR QB 105 ASP HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1565,1566,
&end
#
# 104 TYR QB 113 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1565,1566,
&end
#
# 104 TYR QB 113 VAL QG1 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1565,1566,
igr2=1722,1723,1724,
&end
#
# 104 TYR QB 113 VAL QG2 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1565,1566,
igr2=1726,1727,1728,
&end
#
# 104 TYR QB 113 VAL QQG 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1=1565,1566,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 104 TYR QB 115 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1565,1566,
&end
#
# 104 TYR QB 115 ILE HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1565,1566,
&end
#
# 104 TYR QB 115 ILE QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1565,1566,
igr2=1749,1750,1751,
&end
#
# 104 TYR QB 115 ILE HG12 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1565,1566,
&end
#
# 104 TYR QB 115 ILE HG13 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1565,1566,
&end
#
# 104 TYR QB 115 ILE QG1 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1565,1566,
igr2=1753,1754,
&end
#
# 104 TYR QB 115 ILE QD1 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1=1565,1566,
igr2=1756,1757,1758,
&end
#
# 104 TYR QB 116 GLU HN 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1565,1566,
&end
#
# 104 TYR QD 105 ASP HN 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1569,1578,
&end
#
# 104 TYR QD 106 ILE QG2 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1569,1578,
igr2=1600,1601,1602,
&end
#
# 104 TYR QD 106 ILE QG1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1569,1578,
igr2=1604,1605,
&end
#
# 104 TYR QD 106 ILE QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1569,1578,
igr2=1607,1608,1609,
&end
#
# 104 TYR QD 113 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1569,1578,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 104 TYR QD 115 ILE QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1569,1578,
igr2=1749,1750,1751,
&end
#
# 104 TYR QE 106 ILE QG2 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1571,1576,
igr2=1600,1601,1602,
&end
#
# 104 TYR QE 106 ILE QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1571,1576,
igr2=1604,1605,
&end
#
# 104 TYR QE 106 ILE QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1571,1576,
igr2=1607,1608,1609,
&end
#
# 104 TYR QE 113 VAL QQG 7.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.21, r4=11.71,
igr1=1571,1576,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 104 TYR QE 115 ILE QG2 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1=1571,1576,
igr2=1749,1750,1751,
&end
#
# 105 ASP HN 106 ILE HA 5.66
&rst
ixpk= 0, nxpk= 0, iat=1582,1596, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 105 ASP HN 106 ILE QG1 7.03
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2=1604,1605,
&end
#
# 105 ASP HN 113 VAL QQG 6.04
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 105 ASP HB2 106 ILE HN 5.97
&rst
ixpk= 0, nxpk= 0, iat=1586,1594, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 105 ASP HB3 106 ILE HN 5.97
&rst
ixpk= 0, nxpk= 0, iat=1587,1594, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 105 ASP QB 114 CYS QB 7.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05,
igr1=1586,1587,
igr2=1736,1737,
&end
#
# 106 ILE HN 106 ILE HG12 5.35
&rst
ixpk= 0, nxpk= 0, iat=1594,1604, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 106 ILE HN 106 ILE HG13 5.35
&rst
ixpk= 0, nxpk= 0, iat=1594,1605, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 106 ILE HN 106 ILE QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1604,1605,
&end
#
# 106 ILE HA 106 ILE QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1607,1608,1609,
&end
#
# 106 ILE HA 107 ASP HN 2.47
&rst
ixpk= 0, nxpk= 0, iat=1596,1613, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97, &end
#
# 106 ILE HA 112 LYS HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=1596,1694, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 106 ILE HA 113 VAL HA 5.06
&rst
ixpk= 0, nxpk= 0, iat=1596,1718, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 106 ILE HA 113 VAL QQG 6.82
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 106 ILE HB 106 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1607,1608,1609,
&end
#
# 106 ILE HB 107 ASP HN 5.38
&rst
ixpk= 0, nxpk= 0, iat=1598,1613, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 106 ILE QG2 106 ILE QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1600,1601,1602,
igr2=1604,1605,
&end
#
# 106 ILE QG2 106 ILE QD1 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1600,1601,1602,
igr2=1607,1608,1609,
&end
#
# 106 ILE QG2 107 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1600,1601,1602,
&end
#
# 106 ILE QG2 108 LEU HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1600,1601,1602,
&end
#
# 106 ILE QD1 107 ASP HN 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1607,1608,1609,
&end
#
# 107 ASP HN 108 LEU QQD 7.70
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr2=1638,1639,1640,1634,1635,1636,
&end
#
# 107 ASP HN 112 LYS HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1613,1694, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 107 ASP HN 112 LYS QB 6.74
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2=1698,1699,
&end
#
# 107 ASP HN 114 CYS HN 5.55
&rst
ixpk= 0, nxpk= 0, iat=1613,1732, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 107 ASP HB2 108 LEU HN 5.09
&rst
ixpk= 0, nxpk= 0, iat=1617,1625, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 107 ASP HB2 112 LYS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1617,1694, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 107 ASP HB2 112 LYS HB2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1617,1698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 107 ASP HB2 112 LYS HB3 6.15
&rst
ixpk= 0, nxpk= 0, iat=1617,1699, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 107 ASP HB3 108 LEU HN 5.09
&rst
ixpk= 0, nxpk= 0, iat=1618,1625, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 107 ASP HB3 112 LYS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1618,1694, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 107 ASP HB3 112 LYS HB2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1618,1698, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 107 ASP HB3 112 LYS HB3 6.15
&rst
ixpk= 0, nxpk= 0, iat=1618,1699, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 107 ASP QB 110 ASN HN 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1617,1618,
&end
#
# 107 ASP QB 110 ASN QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1617,1618,
igr2=1662,1663,
&end
#
# 107 ASP QB 111 LYS HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1617,1618,
&end
#
# 107 ASP QB 112 LYS HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1617,1618,
&end
#
# 107 ASP QB 112 LYS QB 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1617,1618,
igr2=1698,1699,
&end
#
# 107 ASP QB 112 LYS QG 7.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1617,1618,
igr2=1701,1702,
&end
#
# 108 LEU HN 108 LEU HG 5.19
&rst
ixpk= 0, nxpk= 0, iat=1625,1632, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 108 LEU HN 108 LEU QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1634,1635,1636,
&end
#
# 108 LEU HN 108 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1638,1639,1640,
&end
#
# 108 LEU HN 108 LEU QQD 4.58
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1638,1639,1640,1634,1635,1636,
&end
#
# 108 LEU HN 109 PRO HD2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1625,1645, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 108 LEU HN 109 PRO HD3 5.06
&rst
ixpk= 0, nxpk= 0, iat=1625,1646, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 108 LEU HN 109 PRO QD 4.87
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1645,1646,
&end
#
# 108 LEU HA 108 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1634,1635,1636,
&end
#
# 108 LEU HA 108 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1638,1639,1640,
&end
#
# 108 LEU HA 111 LYS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1627,1672, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 108 LEU HB2 109 PRO HD2 6.64
&rst
ixpk= 0, nxpk= 0, iat=1629,1645, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, &end
#
# 108 LEU HB2 109 PRO HD3 6.64
&rst
ixpk= 0, nxpk= 0, iat=1629,1646, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, &end
#
# 108 LEU HB3 109 PRO HD2 6.64
&rst
ixpk= 0, nxpk= 0, iat=1630,1645, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, &end
#
# 108 LEU HB3 109 PRO HD3 6.64
&rst
ixpk= 0, nxpk= 0, iat=1630,1646, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, &end
#
# 108 LEU QB 109 PRO QB 6.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=1629,1630,
igr2=1651,1652,
&end
#
# 108 LEU QB 109 PRO QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1629,1630,
igr2=1645,1646,
&end
#
# 108 LEU QD1 109 PRO HD2 9.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1645, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1634,1635,1636,
&end
#
# 108 LEU QD1 109 PRO HD3 9.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1634,1635,1636,
&end
#
# 108 LEU QD2 109 PRO HD2 9.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1645, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1638,1639,1640,
&end
#
# 108 LEU QD2 109 PRO HD3 9.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1638,1639,1640,
&end
#
# 108 LEU QQD 109 PRO QD 7.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1638,1639,1640,1634,1635,1636,
igr2=1645,1646,
&end
#
# 109 PRO HA 111 LYS QG 6.15
&rst
ixpk= 0, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1679,1680,
&end
#
# 109 PRO QB 110 ASN HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1651,1652,
&end
#
# 109 PRO HG2 110 ASN HN 5.52
&rst
ixpk= 0, nxpk= 0, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 109 PRO HG3 110 ASN HN 5.52
&rst
ixpk= 0, nxpk= 0, iat=1649,1658, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 109 PRO HD2 110 ASN HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=1645,1658, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 109 PRO HD3 110 ASN HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 109 PRO QD 110 ASN HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1645,1646,
&end
#
# 109 PRO QD 110 ASN QD2 7.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.95, r4=10.45,
igr1=1645,1646,
igr2=1667,1668,
&end
#
# 110 ASN HN 110 ASN HD21 6.15
&rst
ixpk= 0, nxpk= 0, iat=1658,1667, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 110 ASN HN 110 ASN HD22 6.15
&rst
ixpk= 0, nxpk= 0, iat=1658,1668, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 110 ASN HN 111 LYS HN 3.66
&rst
ixpk= 0, nxpk= 0, iat=1658,1672, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 110 ASN HB2 112 LYS HB2 6.89
&rst
ixpk= 0, nxpk= 0, iat=1662,1698, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 110 ASN HB2 112 LYS HB3 6.89
&rst
ixpk= 0, nxpk= 0, iat=1662,1699, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 110 ASN HB2 112 LYS HG2 6.93
&rst
ixpk= 0, nxpk= 0, iat=1662,1701, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end
#
# 110 ASN HB2 112 LYS HG3 6.93
&rst
ixpk= 0, nxpk= 0, iat=1662,1702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end
#
# 110 ASN HB3 112 LYS HB2 6.89
&rst
ixpk= 0, nxpk= 0, iat=1663,1698, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 110 ASN HB3 112 LYS HB3 6.89
&rst
ixpk= 0, nxpk= 0, iat=1663,1699, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 110 ASN HB3 112 LYS HG2 6.93
&rst
ixpk= 0, nxpk= 0, iat=1663,1701, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end
#
# 110 ASN HB3 112 LYS HG3 6.93
&rst
ixpk= 0, nxpk= 0, iat=1663,1702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, &end
#
# 110 ASN QB 112 LYS QB 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1662,1663,
igr2=1698,1699,
&end
#
# 110 ASN QB 112 LYS QG 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1=1662,1663,
igr2=1701,1702,
&end
#
# 110 ASN QB 112 LYS QD 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1662,1663,
igr2=1704,1705,
&end
#
# 111 LYS HN 111 LYS QG 4.66
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1679,1680,
&end
#
# 111 LYS HN 111 LYS QD 6.88
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2=1682,1683,
&end
#
# 111 LYS HN 112 LYS HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1672,1694, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 111 LYS HN 112 LYS QG 5.94
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1701,1702,
&end
#
# 111 LYS HB2 111 LYS HD2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1676,1682, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 111 LYS HB2 111 LYS HD3 3.54
&rst
ixpk= 0, nxpk= 0, iat=1676,1683, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 111 LYS HB3 111 LYS HD2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1677,1682, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 111 LYS HB3 111 LYS HD3 3.54
&rst
ixpk= 0, nxpk= 0, iat=1677,1683, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 111 LYS QB 111 LYS QD 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1=1676,1677,
igr2=1682,1683,
&end
#
# 112 LYS HN 112 LYS HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1694,1698, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 112 LYS HN 112 LYS HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1694,1699, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 112 LYS HN 112 LYS QB 3.88
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1698,1699,
&end
#
# 112 LYS HN 112 LYS HG2 5.60
&rst
ixpk= 0, nxpk= 0, iat=1694,1701, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 112 LYS HN 112 LYS HG3 5.60
&rst
ixpk= 0, nxpk= 0, iat=1694,1702, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 112 LYS HN 112 LYS QG 5.30
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1701,1702,
&end
#
# 112 LYS HN 112 LYS HD2 5.82
&rst
ixpk= 0, nxpk= 0, iat=1694,1704, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 112 LYS HN 112 LYS HD3 5.82
&rst
ixpk= 0, nxpk= 0, iat=1694,1705, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 112 LYS HN 112 LYS QD 5.31
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1704,1705,
&end
#
# 112 LYS HN 112 LYS HE2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1694,1707, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 112 LYS HN 112 LYS HE3 6.15
&rst
ixpk= 0, nxpk= 0, iat=1694,1708, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 112 LYS HN 113 VAL QQG 7.31
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 112 LYS HA 112 LYS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1696,1704, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 112 LYS HA 112 LYS HD3 6.15
&rst
ixpk= 0, nxpk= 0, iat=1696,1705, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 112 LYS HA 113 VAL QQG 7.31
&rst
ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr2=1722,1723,1724,1726,1727,1728,
&end
#
# 112 LYS HB2 113 VAL HN 4.99
&rst
ixpk= 0, nxpk= 0, iat=1698,1716, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 112 LYS HB3 113 VAL HN 4.99
&rst
ixpk= 0, nxpk= 0, iat=1699,1716, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 112 LYS HG2 113 VAL HN 5.71
&rst
ixpk= 0, nxpk= 0, iat=1701,1716, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 112 LYS HG2 113 VAL HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=1701,1718, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 112 LYS HG3 113 VAL HN 5.71
&rst
ixpk= 0, nxpk= 0, iat=1702,1716, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 112 LYS HG3 113 VAL HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=1702,1718, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 112 LYS QG 113 VAL HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1701,1702,
&end
#
# 112 LYS QD 113 VAL HN 6.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1704,1705,
&end
#
# 113 VAL HN 113 VAL QG1 4.81
&rst
ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1722,1723,1724,
&end
#
# 113 VAL HN 113 VAL QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1726,1727,1728,
&end
#
# 113 VAL HA 114 CYS HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=1718,1732, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 VAL HB 114 CYS HN 4.27
&rst
ixpk= 0, nxpk= 0, iat=1720,1732, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 113 VAL HB 114 CYS HA 6.15
&rst
ixpk= 0, nxpk= 0, iat=1720,1734, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 113 VAL HB 115 ILE HN 6.03
&rst
ixpk= 0, nxpk= 0, iat=1720,1743, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 113 VAL QG1 114 CYS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1722,1723,1724,
&end
#
# 113 VAL QG2 114 CYS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1726,1727,1728,
&end
#
# 113 VAL QQG 114 CYS HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1722,1723,1724,1726,1727,1728,
&end
#
# 114 CYS HN 115 ILE QG1 7.03
&rst
ixpk= 0, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2=1753,1754,
&end
#
# 114 CYS HA 115 ILE HN 3.52
&rst
ixpk= 0, nxpk= 0, iat=1734,1743, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 114 CYS HA 115 ILE HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=1734,1745, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 114 CYS HA 115 ILE HG12 6.15
&rst
ixpk= 0, nxpk= 0, iat=1734,1753, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 114 CYS HA 115 ILE HG13 6.15
&rst
ixpk= 0, nxpk= 0, iat=1734,1754, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 114 CYS HA 115 ILE QG1 5.32
&rst
ixpk= 0, nxpk= 0, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1753,1754,
&end
#
# 114 CYS HB2 115 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1736,1743, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 114 CYS HB3 115 ILE HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1737,1743, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 114 CYS QB 115 ILE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1736,1737,
&end
#
# 115 ILE HN 115 ILE HB 4.16
&rst
ixpk= 0, nxpk= 0, iat=1743,1747, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 115 ILE HN 115 ILE HG12 4.55
&rst
ixpk= 0, nxpk= 0, iat=1743,1753, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 115 ILE HN 115 ILE HG13 4.55
&rst
ixpk= 0, nxpk= 0, iat=1743,1754, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 115 ILE HN 115 ILE QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1753,1754,
&end
#
# 115 ILE HA 116 GLU HN 2.47
&rst
ixpk= 0, nxpk= 0, iat=1745,1762, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97, &end
#
# 115 ILE HA 116 GLU HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1745,1766, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 115 ILE HA 116 GLU HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat=1745,1767, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 115 ILE HA 116 GLU QB 5.17
&rst
ixpk= 0, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1766,1767,
&end
#
# 115 ILE HB 116 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1747,1762, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 115 ILE QG2 115 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1749,1750,1751,
igr2=1756,1757,1758,
&end
#
# 115 ILE QG2 116 GLU HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1749,1750,1751,
&end
#
# 115 ILE QG2 117 SER HN 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1749,1750,1751,
&end
#
# 115 ILE QG2 117 SER HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1749,1750,1751,
&end
#
# 115 ILE QG2 117 SER HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1782, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1749,1750,1751,
&end
#
# 115 ILE QG2 117 SER QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1749,1750,1751,
igr2=1781,1782,
&end
#
# 115 ILE QG2 124 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1749,1750,1751,
igr2=1883,1884,1885,
&end
#
# 115 ILE QG2 124 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1749,1750,1751,
igr2=1887,1888,1889,
&end
#
# 115 ILE QG2 124 LEU QQD 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1749,1750,1751,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 115 ILE QD1 128 LEU QQD 6.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1756,1757,1758,
igr2=1949,1950,1951,1945,1946,1947,
&end
#
# 116 GLU HN 116 GLU QG 4.34
&rst
ixpk= 0, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1769,1770,
&end
#
# 116 GLU HN 117 SER HN 5.64
&rst
ixpk= 0, nxpk= 0, iat=1762,1777, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 116 GLU HA 116 GLU QG 3.76
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1769,1770,
&end
#
# 116 GLU QG 117 SER HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1769,1770,
&end
#
# 117 SER HN 119 HIS HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=1777,1803, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 117 SER HN 124 LEU QQD 7.70
&rst
ixpk= 0, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 117 SER HB2 118 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1781,1788, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 SER HB2 119 HIS HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=1781,1803, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 117 SER HB2 119 HIS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1781,1816, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 SER HB2 124 LEU QD1 5.97
&rst
ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1883,1884,1885,
&end
#
# 117 SER HB2 124 LEU QD2 5.97
&rst
ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1887,1888,1889,
&end
#
# 117 SER HB3 118 GLU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1782,1788, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 SER HB3 119 HIS HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=1782,1803, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 117 SER HB3 119 HIS HD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1782,1816, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 117 SER HB3 124 LEU QD1 5.97
&rst
ixpk= 0, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1883,1884,1885,
&end
#
# 117 SER HB3 124 LEU QD2 5.97
&rst
ixpk= 0, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1887,1888,1889,
&end
#
# 117 SER QB 124 LEU HG 7.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1781,1782,
&end
#
# 117 SER QB 124 LEU QQD 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1=1781,1782,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 118 GLU HN 118 GLU HG2 6.15
&rst
ixpk= 0, nxpk= 0, iat=1788,1795, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 118 GLU HN 118 GLU HG3 6.15
&rst
ixpk= 0, nxpk= 0, iat=1788,1796, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 118 GLU HN 118 GLU QG 6.01
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1795,1796,
&end
#
# 118 GLU HN 119 HIS HN 4.58
&rst
ixpk= 0, nxpk= 0, iat=1788,1803, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 118 GLU HA 118 GLU HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1790,1795, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 118 GLU HA 118 GLU HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat=1790,1796, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 118 GLU HA 119 HIS HN 3.28
&rst
ixpk= 0, nxpk= 0, iat=1790,1803, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 118 GLU QG 119 HIS HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1795,1796,
&end
#
# 119 HIS HN 119 HIS QB 3.65
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1807,1808,
&end
#
# 119 HIS HN 119 HIS HD2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1803,1816, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 119 HIS HN 124 LEU QD1 6.12
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2=1883,1884,1885,
&end
#
# 119 HIS HN 124 LEU QD2 6.12
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2=1887,1888,1889,
&end
#
# 119 HIS HN 124 LEU QQD 5.27
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 119 HIS HA 120 SER HN 3.29
&rst
ixpk= 0, nxpk= 0, iat=1805,1820, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 119 HIS HB2 124 LEU QD1 7.91
&rst
ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 9.50, r4=10.00,
igr2=1883,1884,1885,
&end
#
# 119 HIS HB2 124 LEU QD2 7.91
&rst
ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 9.50, r4=10.00,
igr2=1887,1888,1889,
&end
#
# 119 HIS HB3 124 LEU QD1 7.91
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 9.50, r4=10.00,
igr2=1883,1884,1885,
&end
#
# 119 HIS HB3 124 LEU QD2 7.91
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 9.50, r4=10.00,
igr2=1887,1888,1889,
&end
#
# 119 HIS QB 123 THR HB 6.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1864, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1807,1808,
&end
#
# 119 HIS QB 123 THR QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1807,1808,
igr2=1866,1867,1868,
&end
#
# 119 HIS QB 124 LEU HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1807,1808,
&end
#
# 119 HIS QB 124 LEU HG 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1807,1808,
&end
#
# 119 HIS QB 124 LEU QQD 6.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr1=1807,1808,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 119 HIS HD2 124 LEU QQD 7.31
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 120 SER HN 120 SER HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1820,1824, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 120 SER HN 120 SER HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1820,1825, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 120 SER HN 120 SER QB 3.82
&rst
ixpk= 0, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1824,1825,
&end
#
# 120 SER HN 123 THR HB 6.02
&rst
ixpk= 0, nxpk= 0, iat=1820,1864, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 120 SER HN 123 THR QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1866,1867,1868,
&end
#
# 120 SER HB2 121 MET HN 5.48
&rst
ixpk= 0, nxpk= 0, iat=1824,1831, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 120 SER HB2 122 ASP HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=1824,1848, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 120 SER HB3 121 MET HN 5.48
&rst
ixpk= 0, nxpk= 0, iat=1825,1831, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 120 SER HB3 122 ASP HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=1825,1848, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 120 SER QB 122 ASP HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1824,1825,
&end
#
# 120 SER QB 122 ASP QB 6.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85,
igr1=1824,1825,
igr2=1852,1853,
&end
#
# 120 SER QB 123 THR HN 6.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1824,1825,
&end
#
# 121 MET HN 121 MET HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1831,1838, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 121 MET HN 121 MET HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat=1831,1839, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 121 MET HN 121 MET QG 4.17
&rst
ixpk= 0, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1838,1839,
&end
#
# 121 MET HN 122 ASP HN 4.39
&rst
ixpk= 0, nxpk= 0, iat=1831,1848, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 121 MET HN 122 ASP QB 5.07
&rst
ixpk= 0, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1852,1853,
&end
#
# 121 MET HA 124 LEU HN 5.71
&rst
ixpk= 0, nxpk= 0, iat=1833,1874, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 121 MET HA 124 LEU QB 4.97
&rst
ixpk= 0, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1878,1879,
&end
#
# 121 MET HA 124 LEU QQD 6.40
&rst
ixpk= 0, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr2=1887,1888,1889,1883,1884,1885,
&end
#
# 121 MET HA 125 LEU QQD 6.40
&rst
ixpk= 0, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr2=1906,1907,1908,1902,1903,1904,
&end
#
# 121 MET HG2 137 TYR QD 6.15
&rst
ixpk= 0, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2091,2100,
&end
#
# 121 MET HG2 137 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2093,2098,
&end
#
# 121 MET HG3 137 TYR QD 6.15
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2091,2100,
&end
#
# 121 MET HG3 137 TYR QE 6.15
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2093,2098,
&end
#
# 121 MET QG 122 ASP HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1838,1839,
&end
#
# 121 MET QG 137 TYR QD 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1838,1839,
igr2=2091,2100,
&end
#
# 122 ASP HN 122 ASP QB 3.37
&rst
ixpk= 0, nxpk= 0, iat=1848, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1852,1853,
&end
#
# 122 ASP HN 123 THR HN 3.28
&rst
ixpk= 0, nxpk= 0, iat=1848,1860, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 122 ASP HA 125 LEU HN 4.02
&rst
ixpk= 0, nxpk= 0, iat=1850,1893, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 122 ASP HA 125 LEU HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1850,1897, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 122 ASP HA 125 LEU HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat=1850,1898, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 122 ASP HA 125 LEU QB 4.25
&rst
ixpk= 0, nxpk= 0, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1897,1898,
&end
#
# 122 ASP HA 125 LEU QQD 6.52
&rst
ixpk= 0, nxpk= 0, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
igr2=1906,1907,1908,1902,1903,1904,
&end
#
# 122 ASP HA 126 ALA HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=1850,1912, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 122 ASP QB 123 THR HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1860, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1852,1853,
&end
#
# 123 THR HN 123 THR HB 3.54
&rst
ixpk= 0, nxpk= 0, iat=1860,1864, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 123 THR HN 123 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1860, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1866,1867,1868,
&end
#
# 123 THR HN 124 LEU HN 3.60
&rst
ixpk= 0, nxpk= 0, iat=1860,1874, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 123 THR HN 124 LEU HG 4.69
&rst
ixpk= 0, nxpk= 0, iat=1860,1881, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 123 THR HA 126 ALA HN 3.97
&rst
ixpk= 0, nxpk= 0, iat=1862,1912, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 123 THR HA 126 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1916,1917,1918,
&end
#
# 123 THR HB 124 LEU HN 2.50
&rst
ixpk= 0, nxpk= 0, iat=1864,1874, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 124 LEU HN 124 LEU HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat=1874,1878, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 124 LEU HN 124 LEU HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat=1874,1879, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 124 LEU HN 124 LEU QB 3.78
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1878,1879,
&end
#
# 124 LEU HN 124 LEU HG 3.47
&rst
ixpk= 0, nxpk= 0, iat=1874,1881, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 124 LEU HN 124 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1883,1884,1885,
&end
#
# 124 LEU HN 124 LEU QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1887,1888,1889,
&end
#
# 124 LEU HN 125 LEU HN 4.11
&rst
ixpk= 0, nxpk= 0, iat=1874,1893, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 124 LEU HA 127 THR HN 3.98
&rst
ixpk= 0, nxpk= 0, iat=1876,1922, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 124 LEU HA 127 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1876,1926, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 LEU HA 127 THR QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1928,1929,1930,
&end
#
# 124 LEU HA 128 LEU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1876,1936, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 124 LEU HA 128 LEU QQD 7.31
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr2=1949,1950,1951,1945,1946,1947,
&end
#
# 124 LEU HB2 125 LEU HN 5.94
&rst
ixpk= 0, nxpk= 0, iat=1878,1893, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 124 LEU HB3 125 LEU HN 5.94
&rst
ixpk= 0, nxpk= 0, iat=1879,1893, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 124 LEU QB 128 LEU QB 7.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.78, r4=10.28,
igr1=1878,1879,
igr2=1940,1941,
&end
#
# 124 LEU QD1 125 LEU HN 6.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1883,1884,1885,
&end
#
# 124 LEU QD2 125 LEU HN 6.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1887,1888,1889,
&end
#
# 124 LEU QQD 125 LEU HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1887,1888,1889,1883,1884,1885,
&end
#
# 125 LEU HN 125 LEU HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1893,1897, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 125 LEU HN 125 LEU HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1893,1898, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 125 LEU HN 125 LEU QB 3.62
&rst
ixpk= 0, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1897,1898,
&end
#
# 125 LEU HN 125 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1893,1900, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 LEU HN 125 LEU QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1902,1903,1904,
&end
#
# 125 LEU HN 125 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1906,1907,1908,
&end
#
# 125 LEU HN 125 LEU QQD 4.54
&rst
ixpk= 0, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1906,1907,1908,1902,1903,1904,
&end
#
# 125 LEU HN 126 ALA HN 3.94
&rst
ixpk= 0, nxpk= 0, iat=1893,1912, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 125 LEU HN 126 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1916,1917,1918,
&end
#
# 125 LEU HA 125 LEU QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1902,1903,1904,
&end
#
# 125 LEU HA 125 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1906,1907,1908,
&end
#
# 125 LEU HA 128 LEU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat=1895,1936, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 125 LEU HA 128 LEU QQD 7.53
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3=10.15, r4=10.65,
igr2=1949,1950,1951,1945,1946,1947,
&end
#
# 125 LEU HB2 126 ALA HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1897,1912, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 125 LEU HB3 126 ALA HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1898,1912, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 125 LEU QB 126 ALA HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1897,1898,
&end
#
# 125 LEU QD1 137 TYR QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1902,1903,1904,
igr2=2087,2088,
&end
#
# 125 LEU QD1 137 TYR QD 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=1902,1903,1904,
igr2=2091,2100,
&end
#
# 125 LEU QD2 137 TYR QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1906,1907,1908,
igr2=2087,2088,
&end
#
# 125 LEU QD2 137 TYR QD 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=1906,1907,1908,
igr2=2091,2100,
&end
#
# 125 LEU QQD 126 ALA HN 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1912, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1=1906,1907,1908,1902,1903,1904,
&end
#
# 125 LEU QQD 126 ALA HA 7.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1=1906,1907,1908,1902,1903,1904,
&end
#
# 125 LEU QQD 129 LYS QE 7.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.77, r4=11.27,
igr1=1906,1907,1908,1902,1903,1904,
igr2=1968,1969,
&end
#
# 125 LEU QQD 136 SER HA 6.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1906,1907,1908,1902,1903,1904,
&end
#
# 125 LEU QQD 137 TYR HN 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2083, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1=1906,1907,1908,1902,1903,1904,
&end
#
# 125 LEU QQD 137 TYR QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1906,1907,1908,1902,1903,1904,
igr2=2087,2088,
&end
#
# 126 ALA HN 126 ALA QB 3.24
&rst
ixpk= 0, nxpk= 0, iat=1912, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1916,1917,1918,
&end
#
# 126 ALA HN 127 THR HN 3.46
&rst
ixpk= 0, nxpk= 0, iat=1912,1922, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 126 ALA HA 128 LEU HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1914,1936, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 126 ALA HA 129 LYS HN 5.88
&rst
ixpk= 0, nxpk= 0, iat=1914,1955, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 126 ALA HA 129 LYS QB 3.60
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1959,1960,
&end
#
# 126 ALA HA 129 LYS QG 4.96
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1962,1963,
&end
#
# 126 ALA QB 127 THR HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1922, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1916,1917,1918,
&end
#
# 126 ALA QB 129 LYS HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1916,1917,1918,
&end
#
# 126 ALA QB 129 LYS QD 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1=1916,1917,1918,
igr2=1965,1966,
&end
#
# 127 THR HN 127 THR HB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1922,1926, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 127 THR HN 127 THR QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1922, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1928,1929,1930,
&end
#
# 127 THR HN 128 LEU HN 3.58
&rst
ixpk= 0, nxpk= 0, iat=1922,1936, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 127 THR HA 130 LYS QB 6.47
&rst
ixpk= 0, nxpk= 0, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr2=1981,1982,
&end
#
# 127 THR HA 130 LYS QG 7.03
&rst
ixpk= 0, nxpk= 0, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2=1984,1985,
&end
#
# 127 THR HA 130 LYS QE 5.28
&rst
ixpk= 0, nxpk= 0, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1990,1991,
&end
#
# 127 THR HB 128 LEU HN 3.93
&rst
ixpk= 0, nxpk= 0, iat=1926,1936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 127 THR QG2 128 LEU HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1928,1929,1930,
&end
#
# 127 THR QG2 130 LYS QE 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1928,1929,1930,
igr2=1990,1991,
&end
#
# 128 LEU HN 128 LEU QB 3.81
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1940,1941,
&end
#
# 128 LEU HN 128 LEU HG 3.63
&rst
ixpk= 0, nxpk= 0, iat=1936,1943, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 128 LEU HN 128 LEU QD1 5.20
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1945,1946,1947,
&end
#
# 128 LEU HN 128 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1949,1950,1951,
&end
#
# 128 LEU HN 128 LEU QQD 4.35
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1949,1950,1951,1945,1946,1947,
&end
#
# 128 LEU HN 129 LYS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat=1936,1955, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 128 LEU HA 128 LEU QD1 5.98
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=1945,1946,1947,
&end
#
# 128 LEU HA 128 LEU QD2 5.98
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=1949,1950,1951,
&end
#
# 128 LEU HA 135 VAL QQG 7.22
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 9.73, r4=10.23,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 128 LEU QD1 135 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1945,1946,1947,
igr2=2062,2063,2064,
&end
#
# 128 LEU QD1 135 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1945,1946,1947,
igr2=2066,2067,2068,
&end
#
# 128 LEU QD2 135 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1949,1950,1951,
igr2=2062,2063,2064,
&end
#
# 128 LEU QD2 135 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=1949,1950,1951,
igr2=2066,2067,2068,
&end
#
# 128 LEU QQD 135 VAL HA 7.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3=10.22, r4=10.72,
igr1=1949,1950,1951,1945,1946,1947,
&end
#
# 128 LEU QQD 135 VAL QQG 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1949,1950,1951,1945,1946,1947,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 129 LYS HN 129 LYS HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1955,1959, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 129 LYS HN 129 LYS HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1955,1960, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 129 LYS HN 129 LYS HG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1955,1962, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 129 LYS HN 129 LYS HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat=1955,1963, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 129 LYS HN 129 LYS QG 4.40
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1962,1963,
&end
#
# 129 LYS HN 129 LYS QD 5.52
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1965,1966,
&end
#
# 129 LYS HN 129 LYS QE 5.73
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1968,1969,
&end
#
# 129 LYS HN 130 LYS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat=1955,1977, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 129 LYS HN 130 LYS QB 6.12
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=1981,1982,
&end
#
# 129 LYS HN 135 VAL QQG 5.67
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 129 LYS HA 129 LYS QD 4.99
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1965,1966,
&end
#
# 129 LYS HA 129 LYS QE 5.16
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1968,1969,
&end
#
# 129 LYS HA 131 THR HN 6.15
&rst
ixpk= 0, nxpk= 0, iat=1957,1999, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 129 LYS HA 132 GLY HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=1957,2013, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 129 LYS HA 135 VAL QG1 5.61
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2062,2063,2064,
&end
#
# 129 LYS HA 135 VAL QG2 5.61
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2066,2067,2068,
&end
#
# 129 LYS HA 135 VAL QQG 4.74
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 129 LYS HB2 129 LYS QE 4.32
&rst
ixpk= 0, nxpk= 0, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1968,1969,
&end
#
# 129 LYS HB3 129 LYS QE 4.32
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1968,1969,
&end
#
# 129 LYS QB 129 LYS QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1959,1960,
igr2=1965,1966,
&end
#
# 129 LYS QB 129 LYS QE 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1959,1960,
igr2=1968,1969,
&end
#
# 129 LYS QG 135 VAL QQG 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1962,1963,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 130 LYS HN 130 LYS HG2 5.92
&rst
ixpk= 0, nxpk= 0, iat=1977,1984, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 130 LYS HN 130 LYS HG3 5.92
&rst
ixpk= 0, nxpk= 0, iat=1977,1985, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 130 LYS HN 130 LYS QG 5.54
&rst
ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1984,1985,
&end
#
# 130 LYS HN 130 LYS QE 5.55
&rst
ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1990,1991,
&end
#
# 130 LYS HA 130 LYS QD 4.84
&rst
ixpk= 0, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1987,1988,
&end
#
# 130 LYS HA 130 LYS QE 6.15
&rst
ixpk= 0, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=1990,1991,
&end
#
# 131 THR HN 131 THR QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2005,2006,2007,
&end
#
# 131 THR QG2 132 GLY HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2005,2006,2007,
&end
#
# 133 LYS HA 133 LYS QD 6.06
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=2030,2031,
&end
#
# 133 LYS HA 135 VAL HN 5.39
&rst
ixpk= 0, nxpk= 0, iat=2022,2056, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 133 LYS HB2 133 LYS HE2 6.10
&rst
ixpk= 0, nxpk= 0, iat=2024,2033, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 133 LYS HB2 133 LYS HE3 6.10
&rst
ixpk= 0, nxpk= 0, iat=2024,2034, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 133 LYS HB3 133 LYS HE2 6.10
&rst
ixpk= 0, nxpk= 0, iat=2025,2033, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 133 LYS HB3 133 LYS HE3 6.10
&rst
ixpk= 0, nxpk= 0, iat=2025,2034, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 133 LYS QB 133 LYS QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2024,2025,
igr2=2033,2034,
&end
#
# 134 THR HN 134 THR QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2048,2049,2050,
&end
#
# 134 THR HA 135 VAL HN 3.30
&rst
ixpk= 0, nxpk= 0, iat=2044,2056, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 134 THR HA 135 VAL QQG 6.25
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 134 THR HB 135 VAL HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=2046,2056, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 134 THR QG2 135 VAL HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2048,2049,2050,
&end
#
# 134 THR QG2 135 VAL HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2048,2049,2050,
&end
#
# 135 VAL HN 135 VAL HB 4.11
&rst
ixpk= 0, nxpk= 0, iat=2056,2060, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 135 VAL HN 135 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2062,2063,2064,
&end
#
# 135 VAL HN 135 VAL QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2066,2067,2068,
&end
#
# 135 VAL HN 135 VAL QQG 4.18
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2062,2063,2064,2066,2067,2068,
&end
#
# 135 VAL HA 136 SER HN 3.34
&rst
ixpk= 0, nxpk= 0, iat=2058,2072, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 135 VAL HB 136 SER HN 5.29
&rst
ixpk= 0, nxpk= 0, iat=2060,2072, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 135 VAL QG1 136 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2062,2063,2064,
&end
#
# 135 VAL QG2 136 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2066,2067,2068,
&end
#
# 135 VAL QQG 136 SER HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2062,2063,2064,2066,2067,2068,
&end
#
# 136 SER HB2 137 TYR HN 5.09
&rst
ixpk= 0, nxpk= 0, iat=2076,2083, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 136 SER HB2 138 LEU QD1 7.68
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr2=2113,2114,2115,
&end
#
# 136 SER HB2 138 LEU QD2 7.68
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr2=2117,2118,2119,
&end
#
# 136 SER HB3 137 TYR HN 5.09
&rst
ixpk= 0, nxpk= 0, iat=2077,2083, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 136 SER HB3 138 LEU QD1 7.68
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr2=2113,2114,2115,
&end
#
# 136 SER HB3 138 LEU QD2 7.68
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 9.22, r4= 9.72,
igr2=2117,2118,2119,
&end
#
# 136 SER QB 138 LEU QQD 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=2076,2077,
igr2=2117,2118,2119,2113,2114,2115,
&end
#
# 137 TYR QB 138 LEU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2087,2088,
&end
#
# 137 TYR QD 138 LEU HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2091,2100,
&end
#
# 137 TYR QD 138 LEU HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2106, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2091,2100,
&end
#
# 137 TYR QD 139 GLY HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=2091,2100,
&end
#
# 137 TYR QE 139 GLY HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2093,2098,
&end
#
# 137 TYR QE 139 GLY HA3 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2093,2098,
&end
#
# 137 TYR QE 139 GLY HA3 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2093,2098,
&end
#
# 137 TYR QE 139 GLY QA 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=2093,2098,
igr2=2125,2126,
&end
#
# 138 LEU HN 138 LEU HG 4.73
&rst
ixpk= 0, nxpk= 0, iat=2104,2111, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 138 LEU HN 138 LEU QD1 5.93
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2113,2114,2115,
&end
#
# 138 LEU HN 138 LEU QD2 5.93
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2117,2118,2119,
&end
#
# 138 LEU HN 138 LEU QQD 5.03
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2=2117,2118,2119,2113,2114,2115,
&end
#
# 138 LEU HN 139 GLY HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=2104,2123, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 138 LEU HA 138 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2113,2114,2115,
&end
#
# 138 LEU HA 138 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2117,2118,2119,
&end
#
# 138 LEU QQD 139 GLY HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
igr1=2117,2118,2119,2113,2114,2115,
&end
#
# 139 GLY HN 140 LEU HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=2123,2130, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 139 GLY HA3 140 LEU HN 3.01
&rst
ixpk= 0, nxpk= 0, iat=2126,2130, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 139 GLY HA3 140 LEU HN 3.01
&rst
ixpk= 0, nxpk= 0, iat=2126,2130, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 139 GLY QA 140 LEU HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2130, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2125,2126,
&end
#
# 140 LEU HN 140 LEU HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat=2130,2134, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 140 LEU HN 140 LEU HB3 3.22
&rst
ixpk= 0, nxpk= 0, iat=2130,2135, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 140 LEU HN 140 LEU QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2139,2140,2141,
&end
#
# 140 LEU HN 140 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2143,2144,2145,
&end
#
# 140 LEU HA 140 LEU QD1 6.15
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2139,2140,2141,
&end
#
# 140 LEU HA 140 LEU QD2 6.15
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=2143,2144,2145,
&end
#
# 140 LEU HA 141 GLU HN 2.96
&rst
ixpk= 0, nxpk= 0, iat=2132,2149, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 140 LEU QQD 141 GLU HN 6.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2149, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=2143,2144,2145,2139,2140,2141,
&end
#
# 140 LEU QQD 141 GLU HA 6.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2151, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1=2143,2144,2145,2139,2140,2141,
&end
#
# 141 GLU HN 141 GLU HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat=2149,2156, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 141 GLU HN 141 GLU HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat=2149,2157, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 141 GLU HN 141 GLU QG 4.47
&rst
ixpk= 0, nxpk= 0, iat=2149, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2156,2157,
&end
# 2170 atoms read from pdb file ../PDB01/prm_0.pdb.
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