NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
502612 |
2rrb   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 2 PROO HA 3 LEU HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 21, 25, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 3 LEU HA 3 LEU QQD 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 34, 35, 36, 38, 39, 40,
&end
#
# 7 ALA HN 7 ALA QB 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 90, 91, 92,
&end
#
# 7 ALA QB 8 ASN HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 90, 91, 92,
&end
#
# 8 ASN HA 9 PROO HD2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 98, 111, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 8 ASN HA 9 PROO HD3 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 98, 112, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 8 ASN QB 9 PROO QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 100, 101,
igr2= 111, 112,
&end
#
# 9 PROO HA 10 ASP- HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 120, 124, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 9 PROO QB 10 ASP- HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 117, 118,
&end
#
# 9 PROO QG 10 ASP- HN 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 114, 115,
&end
#
# 9 PROO HB2 10 ASP- HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 117, 124, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 9 PROO HB3 10 ASP- HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 118, 124, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 9 PROO HD2 9 PROO QG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 114, 115,
&end
#
# 9 PROO HD3 9 PROO QG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 114, 115,
&end
#
# 10 ASP- HA 11 PROO QD 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 137, 138,
&end
#
# 10 ASP- HA 11 PROO HD2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 126, 137, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 10 ASP- HA 11 PROO HD3 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 126, 138, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 10 ASP- HN 10 ASP- QB 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 128, 129,
&end
#
# 10 ASP- HN 10 ASP- HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 10 ASP- HN 10 ASP- HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 11 PROO QD 11 PROO QB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 137, 138,
igr2= 143, 144,
&end
#
# 11 PROO QD 11 PROO QG 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 137, 138,
igr2= 140, 141,
&end
#
# 11 PROO QG 12 ASN HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 140, 141,
&end
#
# 11 PROO HD2 11 PROO QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 140, 141,
&end
#
# 11 PROO HD3 11 PROO QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 140, 141,
&end
#
# 12 ASN HN 13 CYS HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 12 ASN HN 64 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 990, 991, 992,
&end
#
# 12 ASN QB 12 ASN QD2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 154, 155,
igr2= 159, 160,
&end
#
# 12 ASN QB 13 CYS HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 154, 155,
&end
#
# 12 ASN QB 64 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 154, 155,
igr2= 990, 991, 992,
&end
#
# 12 ASN HB2 64 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 990, 991, 992,
&end
#
# 12 ASN HB3 64 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 990, 991, 992,
&end
#
# 13 CYS HA 64 VAL HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 166, 982, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 13 CYS HA 64 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 990, 991, 992,
&end
#
# 13 CYS HA 67 ALA QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1024,1025,1026,
&end
#
# 13 CYS HN 13 CYS QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 168, 169,
&end
#
# 13 CYS HN 13 CYS HB2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 164, 168, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 13 CYS HN 13 CYS HB3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 164, 169, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 13 CYS HN 14 CYS HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 164, 175, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 13 CYS HN 64 VAL QG2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 990, 991, 992,
&end
#
# 13 CYS QB 61 PHE HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 168, 169,
&end
#
# 13 CYS HB2 61 PHE HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 168, 931, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 13 CYS HB3 61 PHE HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 169, 931, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 14 CYS HA 60 TYR HA 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 177, 912, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 14 CYS HN 14 CYS QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 179, 180,
&end
#
# 14 CYS HN 14 CYS HB2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 175, 179, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 14 CYS HN 14 CYS HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 175, 180, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 14 CYS HN 15 LEU HN 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 175, 186, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 14 CYS QB 60 TYR QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 179, 180,
igr2= 918, 927,
&end
#
# 14 CYS QB 60 TYR QE 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 179, 180,
igr2= 920, 925,
&end
#
# 15 LEU HA 15 LEU QD1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 195, 196, 197,
&end
#
# 15 LEU HA 15 LEU QD2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 199, 200, 201,
&end
#
# 15 LEU HA 16 GLY HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 188, 205, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 15 LEU HA 88 PHE HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 188,1360, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 LEU HA 89 SER HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 188,1378, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 LEU HG 61 PHE QE 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 941, 945,
&end
#
# 15 LEU HN 15 LEU HG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 186, 193, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 15 LEU HN 15 LEU QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 190, 191,
&end
#
# 15 LEU HN 59 VAL HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 186, 894, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 15 LEU HN 60 TYR HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 186, 912, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 15 LEU QB 16 GLY HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 190, 191,
&end
#
# 15 LEU QB 59 VAL HB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 190, 191,
&end
#
# 15 LEU QB 86 VAL QG1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 190, 191,
igr2=1336,1337,1338,
&end
#
# 15 LEU HB2 15 LEU QD1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 195, 196, 197,
&end
#
# 15 LEU HB2 15 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 199, 200, 201,
&end
#
# 15 LEU HB2 16 GLY HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 190, 205, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 15 LEU HB2 86 VAL QG1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1336,1337,1338,
&end
#
# 15 LEU HB3 15 LEU QD1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 195, 196, 197,
&end
#
# 15 LEU HB3 15 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 199, 200, 201,
&end
#
# 15 LEU HB3 16 GLY HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 191, 205, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 15 LEU HB3 86 VAL QG1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1336,1337,1338,
&end
#
# 15 LEU QD1 33 PHE QE 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 195, 196, 197,
igr2= 488, 492,
&end
#
# 15 LEU QD1 59 VAL HB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 195, 196, 197,
&end
#
# 15 LEU QD1 61 PHE QD 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 195, 196, 197,
igr2= 939, 947,
&end
#
# 15 LEU QD1 61 PHE QE 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 195, 196, 197,
igr2= 941, 945,
&end
#
# 15 LEU QD1 67 ALA HA 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 195, 196, 197,
&end
#
# 15 LEU QD1 67 ALA QB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 195, 196, 197,
igr2=1024,1025,1026,
&end
#
# 15 LEU QD1 70 ALA QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 195, 196, 197,
igr2=1071,1072,1073,
&end
#
# 15 LEU QD1 71 LYS+ HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 195, 196, 197,
&end
#
# 15 LEU QD1 71 LYS+ HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 195, 196, 197,
&end
#
# 15 LEU QD1 71 LYS+ QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 195, 196, 197,
igr2=1081,1082,
&end
#
# 15 LEU QD1 86 VAL QG1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 195, 196, 197,
igr2=1336,1337,1338,
&end
#
# 15 LEU QD2 16 GLY HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 199, 200, 201,
&end
#
# 15 LEU QD2 67 ALA QB 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 199, 200, 201,
igr2=1024,1025,1026,
&end
#
# 15 LEU QD2 71 LYS+ HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 199, 200, 201,
&end
#
# 15 LEU QD2 71 LYS+ QB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 199, 200, 201,
igr2=1081,1082,
&end
#
# 15 LEU QD2 86 VAL QG1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 199, 200, 201,
igr2=1336,1337,1338,
&end
#
# 15 LEU QD2 88 PHE QD 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 199, 200, 201,
igr2=1366,1374,
&end
#
# 15 LEU QD2 89 SER HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 199, 200, 201,
&end
#
# 16 GLY HN 86 VAL QG1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1336,1337,1338,
&end
#
# 16 GLY HN 87 ASP- HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 205,1346, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 16 GLY HN 88 PHE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 205,1360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 GLY HN 89 SER HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 205,1378, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 16 GLY QA 18 PHE HZ 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 207, 208,
&end
#
# 16 GLY QA 18 PHE QD 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 207, 208,
igr2= 236, 244,
&end
#
# 16 GLY QA 18 PHE QE 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 207, 208,
igr2= 238, 242,
&end
#
# 16 GLY QA 58 PHE HA 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 207, 208,
&end
#
# 16 GLY QA 58 PHE QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 207, 208,
igr2= 882, 890,
&end
#
# 16 GLY HA2 58 PHE HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 207, 876, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 16 GLY HA2 59 VAL HN 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 207, 894, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 16 GLY HA3 58 PHE HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 208, 876, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 16 GLY HA3 59 VAL HN 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 208, 894, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 17 VAL HA 17 VAL QG1 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 218, 219, 220,
&end
#
# 17 VAL HA 17 VAL QG2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 222, 223, 224,
&end
#
# 17 VAL HA 18 PHE HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 214, 228, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 17 VAL HA 18 PHE QD 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 236, 244,
&end
#
# 17 VAL HA 86 VAL HA 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 214,1332, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 17 VAL HA 86 VAL QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1340,1341,1342,
&end
#
# 17 VAL HA 87 ASP- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 214,1346, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 17 VAL HB 18 PHE HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 216, 230, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 17 VAL HB 20 LEU QD1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 264, 265, 266,
&end
#
# 17 VAL HB 57 ALA HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 216, 864, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 17 VAL HB 86 VAL QG2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1340,1341,1342,
&end
#
# 17 VAL HN 17 VAL HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 212, 216, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 17 VAL HN 17 VAL QG1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 218, 219, 220,
&end
#
# 17 VAL HN 17 VAL QG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 222, 223, 224,
&end
#
# 17 VAL HN 57 ALA HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 212, 864, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 17 VAL HN 57 ALA QB 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 868, 869, 870,
&end
#
# 17 VAL HN 58 PHE HA 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 212, 876, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 17 VAL QG1 18 PHE HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 218, 219, 220,
&end
#
# 17 VAL QG1 33 PHE HZ 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 218, 219, 220,
&end
#
# 17 VAL QG1 33 PHE QE 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 218, 219, 220,
igr2= 488, 492,
&end
#
# 17 VAL QG1 84 ILE HB 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 218, 219, 220,
&end
#
# 17 VAL QG1 85 ARG+ HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 218, 219, 220,
&end
#
# 17 VAL QG2 18 PHE HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 222, 223, 224,
&end
#
# 17 VAL QG2 33 PHE HZ 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 222, 223, 224,
&end
#
# 17 VAL QG2 33 PHE QE 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 222, 223, 224,
igr2= 488, 492,
&end
#
# 17 VAL QG2 59 VAL HB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 222, 223, 224,
&end
#
# 17 VAL QG2 59 VAL HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 222, 223, 224,
&end
#
# 17 VAL QG2 59 VAL QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 222, 223, 224,
igr2= 904, 905, 906,
&end
#
# 17 VAL QG2 74 ALA QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 222, 223, 224,
igr2=1142,1143,1144,
&end
#
# 17 VAL QG2 84 ILE QD1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 222, 223, 224,
igr2=1300,1301,1302,
&end
#
# 17 VAL QG2 86 VAL HA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 222, 223, 224,
&end
#
# 17 VAL QG2 86 VAL QG1 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 222, 223, 224,
igr2=1336,1337,1338,
&end
#
# 18 PHE HA 18 PHE QD 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 236, 244,
&end
#
# 18 PHE HA 19 GLY HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 230, 248, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 18 PHE HA 20 LEU HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 230, 255, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 18 PHE HA 56 PHE HA 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 230, 846, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 18 PHE HA 56 PHE HB2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 230, 848, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 18 PHE HA 56 PHE HB3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 230, 849, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 18 PHE HA 57 ALA HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 230, 864, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 18 PHE HN 18 PHE QB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 232, 233,
&end
#
# 18 PHE HN 18 PHE QD 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 236, 244,
&end
#
# 18 PHE HN 18 PHE HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 PHE HN 18 PHE HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 228, 233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 PHE HN 85 ARG+ HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 228,1306, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 PHE HN 86 VAL HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 228,1332, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 18 PHE QB 19 GLY HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 232, 233,
&end
#
# 18 PHE QB 85 ARG+ HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 232, 233,
&end
#
# 18 PHE QB 85 ARG+ QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 232, 233,
igr2=1310,1311,
&end
#
# 18 PHE QD 19 GLY HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 236, 244,
&end
#
# 18 PHE QD 56 PHE QD 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 236, 244,
igr2= 852, 860,
&end
#
# 18 PHE QD 56 PHE HB2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 236, 244,
&end
#
# 18 PHE QD 56 PHE HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 236, 244,
&end
#
# 18 PHE QD 85 ARG+ QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 236, 244,
igr2=1310,1311,
&end
#
# 18 PHE QD 85 ARG+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 236, 244,
igr2=1313,1314,
&end
#
# 18 PHE QD 86 VAL HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 236, 244,
&end
#
# 18 PHE QD 87 ASP- HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 236, 244,
&end
#
# 18 PHE QE 56 PHE QB 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 238, 242,
igr2= 848, 849,
&end
#
# 18 PHE QE 87 ASP- HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 238, 242,
&end
#
# 18 PHE QE 87 ASP- HB2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 238, 242,
&end
#
# 18 PHE QE 87 ASP- HB3 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 238, 242,
&end
#
# 18 PHE HB2 19 GLY HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 PHE HB3 19 GLY HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 233, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 GLY HN 20 LEU HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 248, 255, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 19 GLY HN 56 PHE HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 248, 846, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 19 GLY QA 20 LEU QD2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 250, 251,
igr2= 268, 269, 270,
&end
#
# 20 LEU HA 20 LEU QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 264, 265, 266,
&end
#
# 20 LEU HA 20 LEU QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 268, 269, 270,
&end
#
# 20 LEU HA 21 SER HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 257, 274, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 20 LEU HG 56 PHE HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 262, 846, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 20 LEU HN 20 LEU HG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 255, 262, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 20 LEU HN 20 LEU HB2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 255, 259, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 20 LEU HN 20 LEU QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 264, 265, 266,
&end
#
# 20 LEU HN 20 LEU QD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 268, 269, 270,
&end
#
# 20 LEU HN 55 GLY QA 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 839, 840,
&end
#
# 20 LEU HN 56 PHE HA 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 255, 846, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 20 LEU HB2 20 LEU QD1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 264, 265, 266,
&end
#
# 20 LEU HB2 20 LEU QD2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 268, 269, 270,
&end
#
# 20 LEU HB2 21 SER HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 259, 274, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 20 LEU HB2 24 THR HB 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 259, 329, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 20 LEU HB2 55 GLY QA 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 839, 840,
&end
#
# 20 LEU HB2 55 GLY HA2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 259, 839, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 20 LEU HB2 55 GLY HA3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 259, 840, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 20 LEU HB3 20 LEU QD1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 264, 265, 266,
&end
#
# 20 LEU HB3 20 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 268, 269, 270,
&end
#
# 20 LEU HB3 21 SER HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 260, 274, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 20 LEU HB3 24 THR HB 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 260, 329, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 20 LEU QD1 24 THR HB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 264, 265, 266,
&end
#
# 20 LEU QD1 24 THR QG2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 264, 265, 266,
igr2= 331, 332, 333,
&end
#
# 20 LEU QD1 55 GLY QA 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 264, 265, 266,
igr2= 839, 840,
&end
#
# 20 LEU QD1 56 PHE HA 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 264, 265, 266,
&end
#
# 20 LEU QD1 56 PHE HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 264, 265, 266,
&end
#
# 20 LEU QD1 56 PHE QB 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 264, 265, 266,
igr2= 848, 849,
&end
#
# 20 LEU QD1 57 ALA HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 264, 265, 266,
&end
#
# 20 LEU QD1 57 ALA QB 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 264, 265, 266,
igr2= 868, 869, 870,
&end
#
# 20 LEU QD2 21 SER HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 268, 269, 270,
&end
#
# 20 LEU QD2 24 THR HB 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 268, 269, 270,
&end
#
# 21 SER HA 23 TYR HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 276, 304, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 21 SER HA 82 ARG+ QG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1246,1247,
&end
#
# 21 SER HN 21 SER QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 278, 279,
&end
#
# 21 SER HN 23 TYR HN 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 304, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 21 SER HN 82 ARG+ QG 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1246,1247,
&end
#
# 21 SER QB 22 LEU HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 278, 279,
&end
#
# 21 SER QB 23 TYR HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 278, 279,
&end
#
# 21 SER QB 24 THR HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 278, 279,
&end
#
# 21 SER QB 80 ASP- QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 278, 279,
igr2=1224,1225,
&end
#
# 21 SER QB 80 ASP- HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 278, 279,
&end
#
# 21 SER QB 80 ASP- HB3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 278, 279,
&end
#
# 21 SER QB 82 ARG+ QD 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 278, 279,
igr2=1249,1250,
&end
#
# 21 SER QB 82 ARG+ QG 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 278, 279,
igr2=1246,1247,
&end
#
# 21 SER QB 82 ARG+ HG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 278, 279,
&end
#
# 21 SER QB 82 ARG+ HG3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 278, 279,
&end
#
# 22 LEU HA 22 LEU HG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 22 LEU HA 22 LEU QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 294, 295, 296,
&end
#
# 22 LEU HA 22 LEU QD2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 298, 299, 300,
&end
#
# 22 LEU HA 22 LEU QQD 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 294, 295, 296, 298, 299, 300,
&end
#
# 22 LEU HA 53 SER QB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 806, 807,
&end
#
# 22 LEU HN 22 LEU HG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 285, 292, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 22 LEU HN 22 LEU QB 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 289, 290,
&end
#
# 22 LEU HN 22 LEU QD1 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 294, 295, 296,
&end
#
# 22 LEU HN 22 LEU QD2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 298, 299, 300,
&end
#
# 22 LEU HN 22 LEU QQD 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 294, 295, 296, 298, 299, 300,
&end
#
# 22 LEU HN 23 TYR HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 285, 304, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 22 LEU QB 22 LEU QD1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 289, 290,
igr2= 294, 295, 296,
&end
#
# 22 LEU QB 22 LEU QD2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 289, 290,
igr2= 298, 299, 300,
&end
#
# 22 LEU QB 22 LEU QQD 1.80 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 289, 290,
igr2= 294, 295, 296, 298, 299, 300,
&end
#
# 22 LEU QB 23 TYR HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 289, 290,
&end
#
# 22 LEU QB 23 TYR QD 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 289, 290,
igr2= 312, 321,
&end
#
# 22 LEU QB 23 TYR QE 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 289, 290,
igr2= 314, 319,
&end
#
# 22 LEU QB 53 SER QB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 289, 290,
igr2= 806, 807,
&end
#
# 22 LEU QQD 53 SER QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 294, 295, 296, 298, 299, 300,
igr2= 806, 807,
&end
#
# 22 LEU QQD 54 ARG+ HA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 294, 295, 296, 298, 299, 300,
&end
#
# 22 LEU QQD 55 GLY HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 294, 295, 296, 298, 299, 300,
&end
#
# 22 LEU QQD 55 GLY QA 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 294, 295, 296, 298, 299, 300,
igr2= 839, 840,
&end
#
# 23 TYR HA 23 TYR QD 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 312, 321,
&end
#
# 23 TYR HN 23 TYR QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 308, 309,
&end
#
# 23 TYR HN 23 TYR QD 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 312, 321,
&end
#
# 23 TYR HN 23 TYR HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 23 TYR HN 23 TYR HB3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 304, 309, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 23 TYR HN 24 THR HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 304, 325, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 23 TYR QB 24 THR HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 308, 309,
&end
#
# 23 TYR HB2 24 THR HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 308, 325, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 23 TYR HB3 24 THR HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 309, 325, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 24 THR HA 24 THR QG2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 331, 332, 333,
&end
#
# 24 THR HA 25 THR HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 327, 339, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 24 THR HA 25 THR QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 345, 346, 347,
&end
#
# 24 THR HA 28 ASP- QB 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 396, 397,
&end
#
# 24 THR HB 79 LEU QD2 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1214,1215,1216,
&end
#
# 24 THR HN 24 THR HB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 325, 329, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 24 THR HN 24 THR QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 331, 332, 333,
&end
#
# 24 THR QG2 25 THR HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 331, 332, 333,
&end
#
# 24 THR QG2 28 ASP- HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 331, 332, 333,
&end
#
# 24 THR QG2 28 ASP- QB 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 331, 332, 333,
igr2= 396, 397,
&end
#
# 24 THR QG2 28 ASP- HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 331, 332, 333,
&end
#
# 24 THR QG2 28 ASP- HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 331, 332, 333,
&end
#
# 24 THR QG2 29 LEU HG 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 331, 332, 333,
&end
#
# 24 THR QG2 29 LEU HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 331, 332, 333,
&end
#
# 24 THR QG2 29 LEU HB2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 331, 332, 333,
&end
#
# 24 THR QG2 29 LEU QD1 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 331, 332, 333,
igr2= 413, 414, 415,
&end
#
# 24 THR QG2 29 LEU QD2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 331, 332, 333,
igr2= 417, 418, 419,
&end
#
# 24 THR QG2 79 LEU QD2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 331, 332, 333,
igr2=1214,1215,1216,
&end
#
# 25 THR HA 25 THR QG2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 345, 346, 347,
&end
#
# 25 THR HA 26 GLU- HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 341, 353, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 25 THR HA 44 ILE QD1 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 654, 655, 656,
&end
#
# 25 THR HN 25 THR QG2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 345, 346, 347,
&end
#
# 25 THR HN 28 ASP- HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 339, 392, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 25 THR HN 28 ASP- QB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 396, 397,
&end
#
# 25 THR HN 28 ASP- HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 339, 396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 THR HN 28 ASP- HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 339, 397, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 THR HG1 27 ARG+ HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 349, 368, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 25 THR HG1 28 ASP- HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 349, 392, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 25 THR QG2 25 THR HG1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 345, 346, 347,
&end
#
# 25 THR QG2 26 GLU- HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 345, 346, 347,
&end
#
# 25 THR QG2 27 ARG+ HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 345, 346, 347,
&end
#
# 25 THR QG2 28 ASP- HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 345, 346, 347,
&end
#
# 26 GLU- HA 26 GLU- QG 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 360, 361,
&end
#
# 26 GLU- HA 26 GLU- HG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 355, 360, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 26 GLU- HA 26 GLU- HG3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 355, 361, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 26 GLU- HA 29 LEU HG 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 355, 411, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 26 GLU- HA 29 LEU HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 355, 404, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 26 GLU- HA 29 LEU HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 355, 408, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 26 GLU- HA 29 LEU HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 355, 409, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 26 GLU- HA 29 LEU QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 413, 414, 415,
&end
#
# 26 GLU- HA 30 ARG+ HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 355, 423, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 26 GLU- HA 42 VAL QG1 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 620, 621, 622,
&end
#
# 26 GLU- HA 44 ILE QD1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 654, 655, 656,
&end
#
# 26 GLU- HA 44 ILE QG1 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 651, 652,
&end
#
# 26 GLU- HN 26 GLU- QB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 357, 358,
&end
#
# 26 GLU- HN 26 GLU- QG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 360, 361,
&end
#
# 26 GLU- HN 26 GLU- HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 26 GLU- HN 26 GLU- HB3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 26 GLU- HN 26 GLU- HG2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 353, 360, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 26 GLU- HN 26 GLU- HG3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 26 GLU- HN 27 ARG+ HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 GLU- HN 44 ILE QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 654, 655, 656,
&end
#
# 26 GLU- QB 27 ARG+ HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 357, 358,
&end
#
# 26 GLU- QB 42 VAL QG1 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 357, 358,
igr2= 620, 621, 622,
&end
#
# 26 GLU- QB 44 ILE QD1 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 357, 358,
igr2= 654, 655, 656,
&end
#
# 26 GLU- QG 42 VAL HB 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 360, 361,
&end
#
# 26 GLU- QG 42 VAL QG1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 360, 361,
igr2= 620, 621, 622,
&end
#
# 26 GLU- QG 43 SER HA 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 360, 361,
&end
#
# 26 GLU- QG 44 ILE HB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 360, 361,
&end
#
# 26 GLU- QG 44 ILE HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 360, 361,
&end
#
# 26 GLU- QG 44 ILE QD1 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 360, 361,
igr2= 654, 655, 656,
&end
#
# 26 GLU- QG 44 ILE QG1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 360, 361,
igr2= 651, 652,
&end
#
# 26 GLU- HB2 42 VAL QG1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 620, 621, 622,
&end
#
# 26 GLU- HB3 42 VAL QG1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 620, 621, 622,
&end
#
# 26 GLU- HG2 42 VAL HB 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 360, 618, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 26 GLU- HG2 42 VAL QG1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 620, 621, 622,
&end
#
# 26 GLU- HG2 44 ILE HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 360, 641, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 26 GLU- HG2 44 ILE QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 654, 655, 656,
&end
#
# 26 GLU- HG3 42 VAL HB 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 361, 618, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 26 GLU- HG3 42 VAL QG1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 620, 621, 622,
&end
#
# 26 GLU- HG3 44 ILE HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 361, 641, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 26 GLU- HG3 44 ILE QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 654, 655, 656,
&end
#
# 27 ARG+ HA 27 ARG+ QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 375, 376,
&end
#
# 27 ARG+ HA 27 ARG+ HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 370, 375, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 27 ARG+ HA 27 ARG+ HG3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 370, 376, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 27 ARG+ HA 30 ARG+ HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 370, 423, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 27 ARG+ HA 30 ARG+ QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 427, 428,
&end
#
# 27 ARG+ HA 30 ARG+ QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 433, 434,
&end
#
# 27 ARG+ HN 27 ARG+ QB 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 372, 373,
&end
#
# 27 ARG+ HN 27 ARG+ QG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 375, 376,
&end
#
# 27 ARG+ HN 27 ARG+ HB2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 27 ARG+ HN 27 ARG+ HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 27 ARG+ HN 27 ARG+ HG2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 368, 375, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 27 ARG+ HN 27 ARG+ HG3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 368, 376, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 27 ARG+ HN 28 ASP- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 368, 392, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 27 ARG+ QB 28 ASP- HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 372, 373,
&end
#
# 27 ARG+ HB2 28 ASP- HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 372, 392, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 27 ARG+ HB3 28 ASP- HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 373, 392, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 ASP- HA 31 GLU- HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 394, 447, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 28 ASP- HA 31 GLU- QB 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 451, 452,
&end
#
# 28 ASP- HA 31 GLU- HB2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 394, 451, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 28 ASP- HA 31 GLU- HB3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 394, 452, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 28 ASP- HN 28 ASP- QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 396, 397,
&end
#
# 28 ASP- HN 28 ASP- HB2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 ASP- HN 28 ASP- HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 ASP- HN 29 LEU HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 28 ASP- QB 29 LEU HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 396, 397,
&end
#
# 28 ASP- HB2 29 LEU HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 396, 404, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 ASP- HB3 29 LEU HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 LEU HA 29 LEU HG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 406, 411, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 29 LEU HA 29 LEU QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 413, 414, 415,
&end
#
# 29 LEU HA 29 LEU QD2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 417, 418, 419,
&end
#
# 29 LEU HA 32 VAL HB 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 406, 466, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 29 LEU HA 32 VAL HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 406, 462, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 29 LEU HA 32 VAL QG1 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 468, 469, 470,
&end
#
# 29 LEU HA 32 VAL QG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 472, 473, 474,
&end
#
# 29 LEU HA 33 PHE HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 406, 478, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 29 LEU HA 33 PHE QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 486, 494,
&end
#
# 29 LEU HG 44 ILE QD1 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 654, 655, 656,
&end
#
# 29 LEU HN 29 LEU HG 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 404, 411, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 29 LEU HN 29 LEU HB2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 29 LEU HN 29 LEU HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 404, 409, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 LEU HN 29 LEU QD1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 413, 414, 415,
&end
#
# 29 LEU HN 29 LEU QD2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 417, 418, 419,
&end
#
# 29 LEU HN 30 ARG+ HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 404, 423, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 29 LEU HN 42 VAL QG1 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 620, 621, 622,
&end
#
# 29 LEU HB2 29 LEU QD1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 413, 414, 415,
&end
#
# 29 LEU HB2 29 LEU QD2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 417, 418, 419,
&end
#
# 29 LEU HB2 30 ARG+ HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 408, 423, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 29 LEU HB2 42 VAL QG1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 620, 621, 622,
&end
#
# 29 LEU HB2 44 ILE QD1 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 654, 655, 656,
&end
#
# 29 LEU HB2 59 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 904, 905, 906,
&end
#
# 29 LEU HB3 29 LEU QD1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 413, 414, 415,
&end
#
# 29 LEU HB3 29 LEU QD2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 417, 418, 419,
&end
#
# 29 LEU HB3 30 ARG+ HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 409, 423, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 29 LEU HB3 33 PHE QD 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 486, 494,
&end
#
# 29 LEU HB3 42 VAL QG1 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 620, 621, 622,
&end
#
# 29 LEU HB3 59 VAL QG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 904, 905, 906,
&end
#
# 29 LEU QD1 42 VAL HB 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 413, 414, 415,
&end
#
# 29 LEU QD1 59 VAL QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 413, 414, 415,
igr2= 904, 905, 906,
&end
#
# 29 LEU QD2 33 PHE QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 417, 418, 419,
igr2= 486, 494,
&end
#
# 29 LEU QD2 33 PHE QE 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 417, 418, 419,
igr2= 488, 492,
&end
#
# 29 LEU QD2 59 VAL QG2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 417, 418, 419,
igr2= 904, 905, 906,
&end
#
# 30 ARG HA 32 VAL HN 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 425, 462, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 30 ARG+ HA 30 ARG+ HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 30 ARG+ HA 30 ARG+ HG3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 425, 431, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 30 ARG+ HA 33 PHE HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 425, 478, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 30 ARG+ HA 33 PHE HB2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 425, 482, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 30 ARG+ HA 34 SER HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 425, 498, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 30 ARG+ HA 39 ILE QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 586, 587, 588,
&end
#
# 30 ARG+ HA 39 ILE QG1 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 583, 584,
&end
#
# 30 ARG+ HA 39 ILE QG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 579, 580, 581,
&end
#
# 30 ARG+ HA 42 VAL QG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 624, 625, 626,
&end
#
# 30 ARG+ HN 30 ARG+ QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 427, 428,
&end
#
# 30 ARG+ HN 30 ARG+ QG 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 430, 431,
&end
#
# 30 ARG+ HN 30 ARG+ HG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 423, 430, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 30 ARG+ HN 30 ARG+ HG3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 423, 431, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 30 ARG+ HN 31 GLU- HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 423, 447, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 30 ARG+ HN 42 VAL QG1 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 620, 621, 622,
&end
#
# 30 ARG+ HN 42 VAL QG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 624, 625, 626,
&end
#
# 30 ARG+ QB 30 ARG+ QD 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 427, 428,
igr2= 433, 434,
&end
#
# 30 ARG+ QB 30 ARG+ HD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 427, 428,
&end
#
# 30 ARG+ QB 30 ARG+ HD3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 427, 428,
&end
#
# 30 ARG+ QB 34 SER HN 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 427, 428,
&end
#
# 30 ARG+ QB 39 ILE QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 427, 428,
igr2= 586, 587, 588,
&end
#
# 30 ARG+ QB 39 ILE QG2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 427, 428,
igr2= 579, 580, 581,
&end
#
# 30 ARG+ QB 42 VAL QG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 427, 428,
igr2= 624, 625, 626,
&end
#
# 30 ARG+ QG 42 VAL QG1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 430, 431,
igr2= 620, 621, 622,
&end
#
# 30 ARG+ QG 42 VAL QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 430, 431,
igr2= 624, 625, 626,
&end
#
# 30 ARG+ HG2 42 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 624, 625, 626,
&end
#
# 30 ARG+ HG3 42 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 624, 625, 626,
&end
#
# 31 GLU HA 33 PHE HN 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 478, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 31 GLU- HA 31 GLU- QG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 454, 455,
&end
#
# 31 GLU- HA 31 GLU- HG2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 449, 454, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 GLU- HA 31 GLU- HG3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 449, 455, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 GLU- HA 34 SER HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 449, 498, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 31 GLU- HN 31 GLU- QB 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 451, 452,
&end
#
# 31 GLU- HN 31 GLU- QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 454, 455,
&end
#
# 31 GLU- HN 31 GLU- HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 GLU- HN 31 GLU- HB3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 GLU- HN 31 GLU- HG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 447, 454, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 31 GLU- HN 31 GLU- HG3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 447, 455, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 31 GLU- HN 32 VAL HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 447, 462, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 31 GLU- QB 32 VAL HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 451, 452,
&end
#
# 31 GLU- QB 32 VAL QG2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 451, 452,
igr2= 472, 473, 474,
&end
#
# 31 GLU- HB2 32 VAL HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 451, 462, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 31 GLU- HB3 32 VAL HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 452, 462, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 VAL HA 32 VAL QG1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 468, 469, 470,
&end
#
# 32 VAL HA 32 VAL QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 472, 473, 474,
&end
#
# 32 VAL HA 34 SER HN 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 498, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 32 VAL HA 35 LYS+ HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 464, 509, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 32 VAL HA 35 LYS+ QE 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 522, 523,
&end
#
# 32 VAL HB 33 PHE HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 466, 478, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 32 VAL HB 33 PHE QD 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 486, 494,
&end
#
# 32 VAL HB 34 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 VAL HB 79 LEU HB2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 466,1205, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 32 VAL HN 32 VAL HB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 462, 466, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 32 VAL HN 32 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 468, 469, 470,
&end
#
# 32 VAL HN 32 VAL QG2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 472, 473, 474,
&end
#
# 32 VAL HN 33 PHE HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 462, 478, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 32 VAL HN 34 SER HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 462, 498, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 32 VAL QG1 33 PHE HA 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 468, 469, 470,
&end
#
# 32 VAL QG1 33 PHE HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 468, 469, 470,
&end
#
# 32 VAL QG1 33 PHE QD 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 468, 469, 470,
igr2= 486, 494,
&end
#
# 32 VAL QG1 36 TYR QE 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 468, 469, 470,
igr2= 541, 546,
&end
#
# 32 VAL QG1 74 ALA QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 468, 469, 470,
igr2=1142,1143,1144,
&end
#
# 32 VAL QG1 77 MET QE 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 468, 469, 470,
igr2=1180,1181,1182,
&end
#
# 32 VAL QG2 33 PHE HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 472, 473, 474,
&end
#
# 32 VAL QG2 77 MET QE 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 472, 473, 474,
igr2=1180,1181,1182,
&end
#
# 32 VAL QG2 79 LEU QD2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 472, 473, 474,
igr2=1214,1215,1216,
&end
#
# 33 PHE HA 33 PHE QD 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 486, 494,
&end
#
# 33 PHE HA 35 LYS+ HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 480, 509, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 33 PHE HA 35 LYS+ QG 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 516, 517,
&end
#
# 33 PHE HA 36 TYR HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 480, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 PHE HA 36 TYR QD 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 539, 548,
&end
#
# 33 PHE HA 36 TYR QE 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 541, 546,
&end
#
# 33 PHE HN 33 PHE QD 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 486, 494,
&end
#
# 33 PHE HN 33 PHE HB2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 478, 482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 PHE HN 33 PHE HB3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 33 PHE HN 39 ILE QD1 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 586, 587, 588,
&end
#
# 33 PHE HZ 59 VAL QG2 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 904, 905, 906,
&end
#
# 33 PHE HZ 74 ALA QB 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1142,1143,1144,
&end
#
# 33 PHE HZ 84 ILE QD1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1300,1301,1302,
&end
#
# 33 PHE HZ 86 VAL QG1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1336,1337,1338,
&end
#
# 33 PHE HZ 86 VAL QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1340,1341,1342,
&end
#
# 33 PHE QD 34 SER HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 486, 494,
&end
#
# 33 PHE QD 36 TYR QD 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 486, 494,
igr2= 539, 548,
&end
#
# 33 PHE QD 36 TYR QE 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 486, 494,
igr2= 541, 546,
&end
#
# 33 PHE QD 39 ILE QD1 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 486, 494,
igr2= 586, 587, 588,
&end
#
# 33 PHE QD 59 VAL QG1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 486, 494,
igr2= 900, 901, 902,
&end
#
# 33 PHE QD 59 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 486, 494,
igr2= 904, 905, 906,
&end
#
# 33 PHE QD 61 PHE HZ 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 486, 494,
&end
#
# 33 PHE QD 61 PHE QE 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 486, 494,
igr2= 941, 945,
&end
#
# 33 PHE QD 70 ALA QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 486, 494,
igr2=1071,1072,1073,
&end
#
# 33 PHE QD 74 ALA QB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 486, 494,
igr2=1142,1143,1144,
&end
#
# 33 PHE QE 36 TYR QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 488, 492,
igr2= 539, 548,
&end
#
# 33 PHE QE 59 VAL QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 488, 492,
igr2= 904, 905, 906,
&end
#
# 33 PHE QE 70 ALA QB 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 488, 492,
igr2=1071,1072,1073,
&end
#
# 33 PHE QE 74 ALA QB 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 488, 492,
igr2=1142,1143,1144,
&end
#
# 33 PHE QE 84 ILE QD1 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 488, 492,
igr2=1300,1301,1302,
&end
#
# 33 PHE QE 86 VAL QG1 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 488, 492,
igr2=1336,1337,1338,
&end
#
# 33 PHE QE 86 VAL QG2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 488, 492,
igr2=1340,1341,1342,
&end
#
# 33 PHE HB2 34 SER HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 482, 498, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 33 PHE HB2 36 TYR QD 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 539, 548,
&end
#
# 33 PHE HB2 39 ILE QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 586, 587, 588,
&end
#
# 33 PHE HB2 39 ILE QG2 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 579, 580, 581,
&end
#
# 33 PHE HB2 59 VAL QG1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 900, 901, 902,
&end
#
# 33 PHE HB2 61 PHE HZ 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 482, 943, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 33 PHE HB3 34 SER HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 483, 498, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 33 PHE HB3 36 TYR QD 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 539, 548,
&end
#
# 33 PHE HB3 39 ILE QD1 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 586, 587, 588,
&end
#
# 33 PHE HB3 59 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 900, 901, 902,
&end
#
# 33 PHE HB3 61 PHE HZ 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 483, 943, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 33 PHE HB3 61 PHE QE 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 941, 945,
&end
#
# 34 SER HA 37 GLY HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 500, 552, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 34 SER HA 38 PROO HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 500, 569, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 34 SER HA 39 ILE HN 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 500, 573, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 34 SER HA 39 ILE QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 586, 587, 588,
&end
#
# 34 SER HN 34 SER HG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 498, 505, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 34 SER HN 34 SER QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 502, 503,
&end
#
# 34 SER HN 34 SER HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 498, 502, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 34 SER HN 34 SER HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 498, 503, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 34 SER HN 35 LYS+ HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 498, 509, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 34 SER HN 35 LYS+ QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 513, 514,
&end
#
# 34 SER HN 39 ILE QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 586, 587, 588,
&end
#
# 34 SER HN 39 ILE QG1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 583, 584,
&end
#
# 34 SER QB 39 ILE QD1 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 502, 503,
igr2= 586, 587, 588,
&end
#
# 34 SER QB 39 ILE QG1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 502, 503,
igr2= 583, 584,
&end
#
# 35 LYS+ HA 35 LYS+ QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 519, 520,
&end
#
# 35 LYS+ HA 35 LYS+ QG 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 516, 517,
&end
#
# 35 LYS+ HA 35 LYS+ HG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 511, 516, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 35 LYS+ HA 35 LYS+ HG3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 511, 517, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 35 LYS+ HA 37 GLY HN 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 511, 552, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 35 LYS+ HN 35 LYS+ QB 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 513, 514,
&end
#
# 35 LYS+ HN 35 LYS+ QE 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 522, 523,
&end
#
# 35 LYS+ HN 35 LYS+ QG 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 516, 517,
&end
#
# 35 LYS+ HN 35 LYS+ HG2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 509, 516, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 35 LYS+ HN 35 LYS+ HG3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 509, 517, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 35 LYS+ HN 36 TYR HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 509, 531, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 35 LYS+ HN 36 TYR QD 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 539, 548,
&end
#
# 35 LYS+ HN 37 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 509, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS+ QB 36 TYR HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 513, 514,
&end
#
# 35 LYS+ QB 36 TYR QD 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 513, 514,
igr2= 539, 548,
&end
#
# 35 LYS+ QD 36 TYR QE 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 519, 520,
igr2= 541, 546,
&end
#
# 35 LYS+ QE 36 TYR QE 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 522, 523,
igr2= 541, 546,
&end
#
# 35 LYS+ QG 35 LYS+ QE 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 516, 517,
igr2= 522, 523,
&end
#
# 35 LYS+ QG 36 TYR HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 516, 517,
&end
#
# 35 LYS+ QG 36 TYR QD 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 516, 517,
igr2= 539, 548,
&end
#
# 35 LYS+ QG 36 TYR QE 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 516, 517,
igr2= 541, 546,
&end
#
# 36 TYR HA 36 TYR QD 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 539, 548,
&end
#
# 36 TYR HN 36 TYR QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 535, 536,
&end
#
# 36 TYR HN 36 TYR QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 539, 548,
&end
#
# 36 TYR HN 36 TYR HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 531, 535, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 36 TYR HN 36 TYR HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 531, 536, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 36 TYR HN 37 GLY HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 531, 552, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 36 TYR QB 37 GLY HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 535, 536,
&end
#
# 36 TYR QB 61 PHE HZ 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 535, 536,
&end
#
# 36 TYR QB 61 PHE QE 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 535, 536,
igr2= 941, 945,
&end
#
# 36 TYR QB 70 ALA HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 535, 536,
&end
#
# 36 TYR QD 70 ALA HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 539, 548,
&end
#
# 36 TYR QD 70 ALA QB 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 539, 548,
igr2=1071,1072,1073,
&end
#
# 36 TYR QD 73 ARG+ QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 539, 548,
igr2=1124,1125,
&end
#
# 36 TYR QD 73 ARG+ QG 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 539, 548,
igr2=1121,1122,
&end
#
# 36 TYR QD 74 ALA QB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 539, 548,
igr2=1142,1143,1144,
&end
#
# 36 TYR QE 70 ALA HA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 541, 546,
&end
#
# 36 TYR QE 70 ALA QB 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 541, 546,
igr2=1071,1072,1073,
&end
#
# 36 TYR QE 73 ARG+ HN 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 541, 546,
&end
#
# 36 TYR QE 73 ARG+ QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 541, 546,
igr2=1124,1125,
&end
#
# 36 TYR QE 73 ARG+ QG 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 541, 546,
igr2=1121,1122,
&end
#
# 36 TYR QE 73 ARG+ HB2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 541, 546,
&end
#
# 36 TYR QE 73 ARG+ HB3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 541, 546,
&end
#
# 36 TYR QE 74 ALA QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 541, 546,
igr2=1142,1143,1144,
&end
#
# 36 TYR HB2 37 GLY HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 36 TYR HB2 61 PHE QE 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 941, 945,
&end
#
# 36 TYR HB2 70 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1071,1072,1073,
&end
#
# 36 TYR HB3 37 GLY HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 536, 552, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 36 TYR HB3 61 PHE QE 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 941, 945,
&end
#
# 36 TYR HB3 70 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1071,1072,1073,
&end
#
# 36 TYR HD1 70 ALA HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 539,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 TYR HD2 70 ALA HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 548,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 TYR HE1 70 ALA HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 541,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 TYR HE2 70 ALA HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 546,1069, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 GLY HN 61 PHE QE 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 941, 945,
&end
#
# 37 GLY QA 38 PROO QD 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 554, 555,
igr2= 560, 561,
&end
#
# 38 PROO HA 38 PROO QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 563, 564,
&end
#
# 38 PROO HA 39 ILE HB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 569, 577, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 38 PROO HA 39 ILE HN 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 38 PROO QB 39 ILE HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 566, 567,
&end
#
# 38 PROO QD 38 PROO QB 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 560, 561,
igr2= 566, 567,
&end
#
# 38 PROO HB2 39 ILE HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 566, 573, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 38 PROO HB3 39 ILE HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 567, 573, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 38 PROO HD2 38 PROO HG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 560, 563, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 38 PROO HD2 38 PROO HG3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 560, 564, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 38 PROO HD3 38 PROO HG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 561, 563, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 38 PROO HD3 38 PROO HG3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 561, 564, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 39 ILE HA 39 ILE QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 586, 587, 588,
&end
#
# 39 ILE HA 39 ILE QG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 579, 580, 581,
&end
#
# 39 ILE HA 39 ILE HG12 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 575, 583, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 39 ILE HA 39 ILE HG13 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 575, 584, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 39 ILE HA 40 ALA HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 575, 592, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 39 ILE HA 40 ALA QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 596, 597, 598,
&end
#
# 39 ILE HA 41 ASP- HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 575, 602, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 39 ILE HA 61 PHE HA 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 575, 933, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 39 ILE HA 62 GLU- HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 575, 951, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 39 ILE HB 39 ILE QD1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 586, 587, 588,
&end
#
# 39 ILE HN 39 ILE HB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 573, 577, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 39 ILE HN 39 ILE QD1 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 586, 587, 588,
&end
#
# 39 ILE HN 39 ILE QG1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 583, 584,
&end
#
# 39 ILE HN 39 ILE QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 579, 580, 581,
&end
#
# 39 ILE HN 39 ILE HG12 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 39 ILE HN 39 ILE HG13 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 573, 584, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 39 ILE QD1 61 PHE HZ 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 586, 587, 588,
&end
#
# 39 ILE QD1 61 PHE QE 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 586, 587, 588,
igr2= 941, 945,
&end
#
# 39 ILE QG2 40 ALA HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 579, 580, 581,
&end
#
# 39 ILE QG2 40 ALA QB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 579, 580, 581,
igr2= 596, 597, 598,
&end
#
# 39 ILE QG2 41 ASP- HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 579, 580, 581,
&end
#
# 39 ILE QG2 42 VAL HB 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 579, 580, 581,
&end
#
# 39 ILE QG2 42 VAL QG2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 579, 580, 581,
igr2= 624, 625, 626,
&end
#
# 39 ILE QG2 59 VAL HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 579, 580, 581,
&end
#
# 39 ILE QG2 60 TYR HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 579, 580, 581,
&end
#
# 39 ILE QG2 60 TYR QB 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 579, 580, 581,
igr2= 914, 915,
&end
#
# 39 ILE QG2 61 PHE HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 579, 580, 581,
&end
#
# 40 ALA HA 62 GLU- QB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 955, 956,
&end
#
# 40 ALA HN 40 ALA QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 596, 597, 598,
&end
#
# 40 ALA HN 41 ASP- HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 592, 602, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 40 ALA HN 61 PHE HA 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 592, 933, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 40 ALA HN 61 PHE QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 935, 936,
&end
#
# 40 ALA QB 41 ASP- HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 596, 597, 598,
&end
#
# 40 ALA QB 41 ASP- HB2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 596, 597, 598,
&end
#
# 40 ALA QB 41 ASP- HB3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 596, 597, 598,
&end
#
# 40 ALA QB 60 TYR QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 596, 597, 598,
igr2= 918, 927,
&end
#
# 40 ALA QB 60 TYR HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 596, 597, 598,
&end
#
# 40 ALA QB 60 TYR HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 596, 597, 598,
&end
#
# 40 ALA QB 62 GLU- HA 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 596, 597, 598,
&end
#
# 40 ALA QB 62 GLU- QB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 596, 597, 598,
igr2= 955, 956,
&end
#
# 41 ASP- HA 42 VAL HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 604, 614, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 41 ASP- HN 41 ASP- QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 606, 607,
&end
#
# 41 ASP- HN 41 ASP- HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 602, 606, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 41 ASP- HN 41 ASP- HB3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 602, 607, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 41 ASP- HN 42 VAL QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 624, 625, 626,
&end
#
# 41 ASP- HN 60 TYR HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 602, 910, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 41 ASP- HN 60 TYR QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 914, 915,
&end
#
# 41 ASP- HN 60 TYR QD 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 918, 927,
&end
#
# 41 ASP- QB 60 TYR QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 606, 607,
igr2= 914, 915,
&end
#
# 41 ASP- QB 60 TYR QD 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 606, 607,
igr2= 918, 927,
&end
#
# 41 ASP- HB2 42 VAL HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 606, 614, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 41 ASP- HB2 60 TYR QD 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 918, 927,
&end
#
# 41 ASP- HB3 42 VAL HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 607, 614, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 41 ASP- HB3 60 TYR QD 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 918, 927,
&end
#
# 42 VAL HA 43 SER HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 616, 630, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 42 VAL HA 59 VAL HA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 616, 896, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 42 VAL HB 43 SER HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 618, 630, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 42 VAL HB 59 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 900, 901, 902,
&end
#
# 42 VAL HB 59 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 904, 905, 906,
&end
#
# 42 VAL HN 42 VAL HB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 42 VAL HN 42 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 624, 625, 626,
&end
#
# 42 VAL QG1 43 SER HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 620, 621, 622,
&end
#
# 42 VAL QG1 44 ILE HN 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 620, 621, 622,
&end
#
# 42 VAL QG1 59 VAL HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 620, 621, 622,
&end
#
# 42 VAL QG1 59 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 620, 621, 622,
&end
#
# 42 VAL QG1 59 VAL QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 620, 621, 622,
igr2= 904, 905, 906,
&end
#
# 42 VAL QG2 59 VAL HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 624, 625, 626,
&end
#
# 42 VAL QG2 59 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 624, 625, 626,
&end
#
# 42 VAL QG2 59 VAL QG1 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 624, 625, 626,
igr2= 900, 901, 902,
&end
#
# 42 VAL QG2 60 TYR HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 624, 625, 626,
&end
#
# 43 SER HA 44 ILE HB 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 632, 645, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 43 SER HA 44 ILE HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 632, 641, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 43 SER HN 43 SER HB2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 43 SER HN 43 SER HB3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 43 SER HN 58 PHE HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 630, 874, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 43 SER HN 58 PHE QB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 878, 879,
&end
#
# 43 SER HN 59 VAL HA 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 630, 896, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 43 SER HN 59 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 904, 905, 906,
&end
#
# 43 SER QB 58 PHE QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 634, 635,
igr2= 878, 879,
&end
#
# 43 SER QB 58 PHE QD 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 634, 635,
igr2= 882, 890,
&end
#
# 43 SER QB 60 TYR QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 634, 635,
igr2= 920, 925,
&end
#
# 43 SER HB2 60 TYR QE 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 920, 925,
&end
#
# 43 SER HB3 60 TYR QE 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 920, 925,
&end
#
# 44 ILE HA 44 ILE QD1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 654, 655, 656,
&end
#
# 44 ILE HA 44 ILE QG1 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 651, 652,
&end
#
# 44 ILE HA 44 ILE QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 647, 648, 649,
&end
#
# 44 ILE HA 44 ILE HG12 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 ILE HA 44 ILE HG13 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 643, 652, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 ILE HA 45 VAL HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 643, 660, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 44 ILE HA 45 VAL QG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 670, 671, 672,
&end
#
# 44 ILE HA 57 ALA HA 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 643, 866, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 44 ILE HA 57 ALA QB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 868, 869, 870,
&end
#
# 44 ILE HA 58 PHE HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 643, 874, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 44 ILE HB 44 ILE QD1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 654, 655, 656,
&end
#
# 44 ILE HB 46 TYR QE 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 686, 691,
&end
#
# 44 ILE HN 44 ILE HB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 641, 645, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 44 ILE HN 44 ILE QD1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 654, 655, 656,
&end
#
# 44 ILE HN 44 ILE QG1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 651, 652,
&end
#
# 44 ILE HN 44 ILE QG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 647, 648, 649,
&end
#
# 44 ILE HN 44 ILE HG12 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 641, 651, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 44 ILE HN 44 ILE HG13 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 641, 652, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 44 ILE HN 46 TYR QE 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 686, 691,
&end
#
# 44 ILE HN 57 ALA QB 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 868, 869, 870,
&end
#
# 44 ILE QD1 46 TYR QE 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 654, 655, 656,
igr2= 686, 691,
&end
#
# 44 ILE QD1 57 ALA QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 654, 655, 656,
igr2= 868, 869, 870,
&end
#
# 44 ILE QG1 57 ALA QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 651, 652,
igr2= 868, 869, 870,
&end
#
# 44 ILE QG1 58 PHE HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 651, 652,
&end
#
# 44 ILE QG2 44 ILE QG1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 647, 648, 649,
igr2= 651, 652,
&end
#
# 44 ILE QG2 44 ILE HG12 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 44 ILE HG13 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 45 VAL HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 46 TYR QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 647, 648, 649,
igr2= 684, 693,
&end
#
# 44 ILE QG2 46 TYR QE 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 647, 648, 649,
igr2= 686, 691,
&end
#
# 44 ILE QG2 53 SER HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 53 SER QB 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 647, 648, 649,
igr2= 806, 807,
&end
#
# 44 ILE QG2 53 SER HB2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 53 SER HB3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 54 ARG+ HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 56 PHE HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 57 ALA HA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 647, 648, 649,
&end
#
# 44 ILE QG2 57 ALA QB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 647, 648, 649,
igr2= 868, 869, 870,
&end
#
# 45 VAL HA 45 VAL QG1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 666, 667, 668,
&end
#
# 45 VAL HA 45 VAL QG2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 670, 671, 672,
&end
#
# 45 VAL HA 46 TYR HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 662, 676, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 45 VAL HA 46 TYR QD 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 684, 693,
&end
#
# 45 VAL HA 46 TYR HB2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 662, 680, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 45 VAL HB 54 ARG+ HN 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 664, 813, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 45 VAL HB 54 ARG+ QB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 817, 818,
&end
#
# 45 VAL HB 54 ARG+ HB2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 664, 817, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 45 VAL HB 54 ARG+ HB3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 664, 818, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 45 VAL HB 55 GLY HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 664, 837, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 45 VAL HB 56 PHE HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 664, 844, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 45 VAL HB 56 PHE QD 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 852, 860,
&end
#
# 45 VAL HN 45 VAL HB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 660, 664, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 45 VAL HN 45 VAL QG1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 666, 667, 668,
&end
#
# 45 VAL HN 45 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 670, 671, 672,
&end
#
# 45 VAL HN 56 PHE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 660, 844, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 45 VAL HN 57 ALA HA 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 660, 866, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 45 VAL HN 57 ALA QB 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 868, 869, 870,
&end
#
# 45 VAL HN 58 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 882, 890,
&end
#
# 45 VAL QG1 46 TYR HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 666, 667, 668,
&end
#
# 45 VAL QG1 54 ARG+ HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 666, 667, 668,
&end
#
# 45 VAL QG1 54 ARG+ QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 666, 667, 668,
igr2= 817, 818,
&end
#
# 45 VAL QG1 54 ARG+ QD 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 666, 667, 668,
igr2= 823, 824,
&end
#
# 45 VAL QG1 54 ARG+ QG 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 666, 667, 668,
igr2= 820, 821,
&end
#
# 45 VAL QG1 54 ARG+ HD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 666, 667, 668,
&end
#
# 45 VAL QG1 54 ARG+ HD3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 666, 667, 668,
&end
#
# 45 VAL QG1 56 PHE HZ 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 666, 667, 668,
&end
#
# 45 VAL QG1 56 PHE QD 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 666, 667, 668,
igr2= 852, 860,
&end
#
# 45 VAL QG1 56 PHE QE 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 666, 667, 668,
igr2= 854, 858,
&end
#
# 45 VAL QG2 46 TYR HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 670, 671, 672,
&end
#
# 45 VAL QG2 56 PHE QD 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 670, 671, 672,
igr2= 852, 860,
&end
#
# 45 VAL QG2 56 PHE QE 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 670, 671, 672,
igr2= 854, 858,
&end
#
# 45 VAL QG2 57 ALA HA 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 670, 671, 672,
&end
#
# 45 VAL QG2 58 PHE HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 670, 671, 672,
&end
#
# 45 VAL QG2 58 PHE QD 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 670, 671, 672,
igr2= 882, 890,
&end
#
# 45 VAL QG2 58 PHE QE 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 670, 671, 672,
igr2= 884, 888,
&end
#
# 46 TYR HA 47 ASP- HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 678, 697, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 46 TYR HN 46 TYR QD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 684, 693,
&end
#
# 46 TYR HN 46 TYR HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 676, 680, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 46 TYR HN 46 TYR HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 676, 681, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 46 TYR QD 47 ASP- HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 684, 693,
&end
#
# 46 TYR QD 51 ARG+ HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 684, 693,
&end
#
# 46 TYR QD 52 ARG+ HA 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 684, 693,
&end
#
# 46 TYR QD 53 SER HA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 684, 693,
&end
#
# 46 TYR QD 53 SER HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 684, 693,
&end
#
# 46 TYR QE 53 SER HA 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 686, 691,
&end
#
# 46 TYR QE 53 SER QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 686, 691,
igr2= 806, 807,
&end
#
# 46 TYR HB2 47 ASP- HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 680, 697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 TYR HB2 51 ARG+ HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 680, 756, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 46 TYR HB3 47 ASP- HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 681, 697, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 46 TYR HB3 51 ARG+ HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 681, 756, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 46 TYR HB3 53 SER HA 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 681, 804, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 47 ASP- HA 54 ARG+ QD 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 823, 824,
&end
#
# 47 ASP- HA 54 ARG+ QG 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 820, 821,
&end
#
# 47 ASP- HN 47 ASP- QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 701, 702,
&end
#
# 47 ASP- HN 47 ASP- HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 47 ASP- HN 47 ASP- HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 697, 702, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 47 ASP- HN 52 ARG+ HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 697, 778, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 47 ASP- HN 53 SER HA 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 697, 804, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 47 ASP- HN 54 ARG+ QG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 820, 821,
&end
#
# 47 ASP- QB 50 SER HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 701, 702,
&end
#
# 47 ASP- QB 51 ARG+ HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 701, 702,
&end
#
# 47 ASP- QB 51 ARG+ HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 701, 702,
&end
#
# 47 ASP- QB 52 ARG+ HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 701, 702,
&end
#
# 47 ASP- QB 54 ARG+ QG 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 701, 702,
igr2= 820, 821,
&end
#
# 47 ASP- HB2 51 ARG+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 701, 754, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 47 ASP- HB2 52 ARG+ HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 701, 778, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 47 ASP- HB3 51 ARG+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 702, 754, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 47 ASP- HB3 52 ARG+ HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 702, 778, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 48 GLN HA 48 GLN QG 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 716, 717,
&end
#
# 48 GLN HN 48 GLN QG 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 716, 717,
&end
#
# 48 GLN HN 49 GLN HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 709, 726, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 49 GLN HA 49 GLN QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 733, 734,
&end
#
# 49 GLN HA 49 GLN HG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 728, 733, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 GLN HA 49 GLN HG3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 728, 734, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 GLN HN 49 GLN QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 730, 731,
&end
#
# 49 GLN HN 49 GLN HG2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 726, 733, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 49 GLN HN 49 GLN HG3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 726, 734, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 49 GLN HN 50 SER HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 726, 743, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 49 GLN QB 50 SER HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 730, 731,
&end
#
# 50 SER HN 50 SER QB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 747, 748,
&end
#
# 50 SER HN 50 SER HB2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 743, 747, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 SER HN 50 SER HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 743, 748, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 SER HN 51 ARG+ HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 743, 754, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 50 SER QB 52 ARG+ QG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 747, 748,
igr2= 785, 786,
&end
#
# 50 SER HB2 52 ARG+ QG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 785, 786,
&end
#
# 50 SER HB3 52 ARG+ QG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 785, 786,
&end
#
# 51 ARG+ HA 51 ARG+ QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 761, 762,
&end
#
# 51 ARG+ HA 51 ARG+ HD2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 756, 764, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 51 ARG+ HA 51 ARG+ HD3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 756, 765, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 51 ARG+ HA 51 ARG+ HG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 756, 761, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 51 ARG+ HA 51 ARG+ HG3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 756, 762, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 51 ARG+ HN 51 ARG+ HG2 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 754, 761, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 51 ARG+ HN 51 ARG+ HG3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 754, 762, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 51 ARG+ HN 52 ARG+ HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 754, 778, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 52 ARG+ HA 52 ARG+ QD 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 788, 789,
&end
#
# 52 ARG+ HA 52 ARG+ QG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 785, 786,
&end
#
# 52 ARG+ HA 53 SER HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 780, 804, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 52 ARG+ HA 53 SER HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 780, 802, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 52 ARG+ HN 52 ARG+ QG 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 785, 786,
&end
#
# 52 ARG+ HN 52 ARG+ HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 778, 782, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 52 ARG+ HN 52 ARG+ HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 778, 783, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 52 ARG+ QB 53 SER HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 782, 783,
&end
#
# 52 ARG+ HB2 52 ARG+ QD 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 788, 789,
&end
#
# 52 ARG+ HB2 53 SER HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 782, 802, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 52 ARG+ HB3 52 ARG+ QD 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 788, 789,
&end
#
# 52 ARG+ HB3 53 SER HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 783, 802, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 53 SER HA 54 ARG+ HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 804, 813, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 53 SER HA 55 GLY HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 804, 837, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 53 SER HG 55 GLY HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 809, 837, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 53 SER HN 53 SER QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 806, 807,
&end
#
# 53 SER HN 53 SER HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 802, 806, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 SER HN 53 SER HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 802, 807, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 SER QB 55 GLY HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 806, 807,
&end
#
# 54 ARG+ HA 54 ARG+ QD 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 823, 824,
&end
#
# 54 ARG+ HA 54 ARG+ QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 820, 821,
&end
#
# 54 ARG+ HN 54 ARG+ QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 817, 818,
&end
#
# 54 ARG+ HN 54 ARG+ QG 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 820, 821,
&end
#
# 54 ARG+ HN 55 GLY HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 813, 837, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 54 ARG+ QB 56 PHE HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 817, 818,
&end
#
# 54 ARG+ QB 56 PHE QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 817, 818,
igr2= 852, 860,
&end
#
# 54 ARG+ QB 56 PHE QE 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 817, 818,
igr2= 854, 858,
&end
#
# 54 ARG+ QD 56 PHE QE 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 823, 824,
igr2= 854, 858,
&end
#
# 54 ARG+ HB2 56 PHE QD 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 852, 860,
&end
#
# 54 ARG+ HB2 56 PHE QE 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 854, 858,
&end
#
# 54 ARG+ HB3 56 PHE QD 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 852, 860,
&end
#
# 54 ARG+ HB3 56 PHE QE 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 854, 858,
&end
#
# 55 GLY HN 56 PHE HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 837, 844, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 56 PHE HA 56 PHE QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 852, 860,
&end
#
# 56 PHE HA 57 ALA HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 846, 864, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 56 PHE HA 57 ALA QB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 868, 869, 870,
&end
#
# 56 PHE HN 56 PHE QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 848, 849,
&end
#
# 56 PHE HN 56 PHE QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 852, 860,
&end
#
# 56 PHE QB 57 ALA HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 848, 849,
&end
#
# 56 PHE QD 57 ALA HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 852, 860,
&end
#
# 56 PHE HB2 57 ALA HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 848, 864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 PHE HB3 57 ALA HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 849, 864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 ALA HA 58 PHE HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 866, 874, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 57 ALA HN 57 ALA QB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 868, 869, 870,
&end
#
# 57 ALA QB 58 PHE HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 868, 869, 870,
&end
#
# 57 ALA QB 58 PHE QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 868, 869, 870,
igr2= 882, 890,
&end
#
# 58 PHE HA 58 PHE QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 882, 890,
&end
#
# 58 PHE HA 59 VAL HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 876, 894, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 58 PHE HA 59 VAL QG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 904, 905, 906,
&end
#
# 58 PHE HN 58 PHE QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 882, 890,
&end
#
# 58 PHE HN 58 PHE HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 874, 878, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 58 PHE HN 58 PHE HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 874, 879, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 58 PHE QB 59 VAL HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 878, 879,
&end
#
# 58 PHE QB 60 TYR QD 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 878, 879,
igr2= 918, 927,
&end
#
# 58 PHE QB 60 TYR QE 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 878, 879,
igr2= 920, 925,
&end
#
# 58 PHE QD 59 VAL HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 882, 890,
&end
#
# 58 PHE QD 89 SER HB2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 882, 890,
&end
#
# 58 PHE QD 89 SER HB3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 882, 890,
&end
#
# 58 PHE QE 89 SER HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 884, 888,
&end
#
# 58 PHE QE 89 SER HB3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 884, 888,
&end
#
# 58 PHE HB2 60 TYR QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 920, 925,
&end
#
# 58 PHE HB3 60 TYR QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 920, 925,
&end
#
# 59 VAL HA 59 VAL QG1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 900, 901, 902,
&end
#
# 59 VAL HA 59 VAL QG2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 904, 905, 906,
&end
#
# 59 VAL HA 60 TYR HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 896, 910, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 59 VAL HA 60 TYR QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 918, 927,
&end
#
# 59 VAL HB 61 PHE QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 941, 945,
&end
#
# 59 VAL HN 59 VAL HB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 59 VAL HN 59 VAL QG1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 900, 901, 902,
&end
#
# 59 VAL HN 59 VAL QG2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 904, 905, 906,
&end
#
# 59 VAL QG1 60 TYR HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 900, 901, 902,
&end
#
# 59 VAL QG1 61 PHE HZ 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 900, 901, 902,
&end
#
# 59 VAL QG1 61 PHE QD 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 900, 901, 902,
igr2= 939, 947,
&end
#
# 59 VAL QG1 61 PHE QE 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 900, 901, 902,
igr2= 941, 945,
&end
#
# 59 VAL QG2 60 TYR HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 904, 905, 906,
&end
#
# 60 TYR HA 60 TYR QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 918, 927,
&end
#
# 60 TYR HA 61 PHE HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 912, 931, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 60 TYR HN 60 TYR QD 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 918, 927,
&end
#
# 60 TYR HN 60 TYR HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 910, 914, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 60 TYR HN 60 TYR HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 910, 915, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 60 TYR QB 61 PHE HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 914, 915,
&end
#
# 61 PHE HA 61 PHE QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 939, 947,
&end
#
# 61 PHE HA 62 GLU HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 933, 951, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 61 PHE HA 62 GLU- QB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 955, 956,
&end
#
# 61 PHE HN 61 PHE QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 939, 947,
&end
#
# 61 PHE HN 67 ALA QB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1024,1025,1026,
&end
#
# 61 PHE HZ 70 ALA QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1071,1072,1073,
&end
#
# 61 PHE QB 62 GLU- HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 935, 936,
&end
#
# 61 PHE QB 63 ASN HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 935, 936,
&end
#
# 61 PHE QB 67 ALA HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 935, 936,
&end
#
# 61 PHE QB 67 ALA QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 935, 936,
igr2=1024,1025,1026,
&end
#
# 61 PHE QD 62 GLU- HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 939, 947,
&end
#
# 61 PHE QD 63 ASN HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 939, 947,
&end
#
# 61 PHE QD 66 ASP- QB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 939, 947,
igr2=1012,1013,
&end
#
# 61 PHE QD 66 ASP- HB2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 939, 947,
&end
#
# 61 PHE QD 66 ASP- HB3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 939, 947,
&end
#
# 61 PHE QD 67 ALA HA 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 939, 947,
&end
#
# 61 PHE QD 67 ALA QB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 939, 947,
igr2=1024,1025,1026,
&end
#
# 61 PHE QD 70 ALA QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 939, 947,
igr2=1071,1072,1073,
&end
#
# 61 PHE QE 67 ALA HA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 941, 945,
&end
#
# 61 PHE QE 67 ALA QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 941, 945,
igr2=1024,1025,1026,
&end
#
# 61 PHE QE 70 ALA QB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 941, 945,
igr2=1071,1072,1073,
&end
#
# 61 PHE HB2 62 GLU- HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 935, 951, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 61 PHE HB3 62 GLU- HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 936, 951, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 61 PHE HD1 67 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 939,1022, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 PHE HD2 67 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 947,1022, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 PHE HE1 67 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 941,1022, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 PHE HE2 67 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 945,1022, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 GLU- HA 62 GLU- QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 958, 959,
&end
#
# 62 GLU- HA 62 GLU- HG2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 62 GLU- HA 62 GLU- HG3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 953, 959, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 62 GLU- HN 62 GLU- QB 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 955, 956,
&end
#
# 62 GLU- HN 62 GLU- QG 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 958, 959,
&end
#
# 62 GLU- HN 62 GLU- HB2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 62 GLU- HN 62 GLU- HB3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 62 GLU- HN 62 GLU- HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 951, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU- HN 62 GLU- HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 951, 959, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU- HN 63 ASN HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 951, 966, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 62 GLU- QG 63 ASN HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 958, 959,
&end
#
# 62 GLU- HB2 63 ASN HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 955, 966, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 62 GLU- HB3 63 ASN HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 62 GLU- HG2 63 ASN HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 958, 966, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 62 GLU- HG3 63 ASN HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 63 ASN HA 64 VAL HB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 968, 984, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 63 ASN HA 64 VAL HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 968, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 63 ASN HA 64 VAL QG1 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 986, 987, 988,
&end
#
# 63 ASN HN 63 ASN HB2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 966, 970, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 63 ASN HN 63 ASN HB3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 966, 971, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 63 ASN QB 63 ASN QD2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 970, 971,
igr2= 975, 976,
&end
#
# 63 ASN QB 65 ASP- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 970, 971,
&end
#
# 63 ASN QB 66 ASP- HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 970, 971,
&end
#
# 63 ASN HB2 64 VAL HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 970, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASN HB2 66 ASP- HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 970,1008, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 63 ASN HB3 64 VAL HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 971, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASN HB3 66 ASP- HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 971,1008, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 64 VAL HA 64 VAL QG1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 986, 987, 988,
&end
#
# 64 VAL HA 64 VAL QG2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 990, 991, 992,
&end
#
# 64 VAL HA 66 ASP- HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 982,1008, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 64 VAL HA 67 ALA HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 982,1020, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 64 VAL HA 67 ALA QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1024,1025,1026,
&end
#
# 64 VAL HB 65 ASP- HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 984, 996, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 64 VAL HN 64 VAL HB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 64 VAL HN 64 VAL QG1 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 986, 987, 988,
&end
#
# 64 VAL HN 64 VAL QG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 990, 991, 992,
&end
#
# 64 VAL HN 65 ASP- HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 980, 996, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 64 VAL QG1 65 ASP- HA 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 986, 987, 988,
&end
#
# 64 VAL QG1 65 ASP- HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 986, 987, 988,
&end
#
# 64 VAL QG1 65 ASP- QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 986, 987, 988,
igr2=1000,1001,
&end
#
# 64 VAL QG1 68 LYS+ QD 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 986, 987, 988,
igr2=1040,1041,
&end
#
# 64 VAL QG1 68 LYS+ QE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 986, 987, 988,
igr2=1043,1044,
&end
#
# 64 VAL QG1 68 LYS+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 986, 987, 988,
igr2=1037,1038,
&end
#
# 64 VAL QG2 65 ASP- HA 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 990, 991, 992,
&end
#
# 64 VAL QG2 67 ALA QB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 990, 991, 992,
igr2=1024,1025,1026,
&end
#
# 64 VAL QG2 68 LYS+ HN 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 990, 991, 992,
&end
#
# 64 VAL QG2 68 LYS+ QD 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 990, 991, 992,
igr2=1040,1041,
&end
#
# 64 VAL QG2 68 LYS+ QE 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 990, 991, 992,
igr2=1043,1044,
&end
#
# 64 VAL QG2 68 LYS+ QG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 990, 991, 992,
igr2=1037,1038,
&end
#
# 65 ASP- HA 68 LYS+ HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 998,1030, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 65 ASP- HA 68 LYS+ QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1034,1035,
&end
#
# 65 ASP- HA 68 LYS+ QD 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1040,1041,
&end
#
# 65 ASP- HA 68 LYS+ QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1043,1044,
&end
#
# 65 ASP- HA 68 LYS+ QG 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1037,1038,
&end
#
# 65 ASP- HN 65 ASP- QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1000,1001,
&end
#
# 65 ASP- HN 65 ASP- HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 996,1000, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 65 ASP- HN 65 ASP- HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 996,1001, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 65 ASP- HN 66 ASP- HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 996,1008, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 65 ASP- QB 66 ASP- HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1000,1001,
&end
#
# 66 ASP- HA 68 LYS+ HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1010,1030, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 66 ASP- HA 69 GLU- HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1010,1052, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 66 ASP- HA 69 GLU- QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1056,1057,
&end
#
# 66 ASP- HA 69 GLU- HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1010,1056, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 66 ASP- HA 69 GLU- HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1010,1057, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 66 ASP- HA 70 ALA HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1010,1067, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 66 ASP- HN 66 ASP- QB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1012,1013,
&end
#
# 66 ASP- HN 67 ALA HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1008,1020, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 66 ASP- HN 67 ALA QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1024,1025,1026,
&end
#
# 66 ASP- QB 67 ALA HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1012,1013,
&end
#
# 66 ASP- QB 67 ALA QB 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1012,1013,
igr2=1024,1025,1026,
&end
#
# 66 ASP- HB2 67 ALA HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1012,1020, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 66 ASP- HB3 67 ALA HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1013,1020, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 67 ALA HA 70 ALA HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1022,1067, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 67 ALA HA 70 ALA QB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1071,1072,1073,
&end
#
# 67 ALA HA 71 LYS+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1022,1077, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 67 ALA HN 67 ALA QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1024,1025,1026,
&end
#
# 67 ALA HN 68 LYS+ HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1020,1030, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 67 ALA HN 68 LYS+ QB 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1034,1035,
&end
#
# 67 ALA HN 70 ALA QB 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1071,1072,1073,
&end
#
# 67 ALA QB 68 LYS+ HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1024,1025,1026,
&end
#
# 67 ALA QB 88 PHE HZ 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1024,1025,1026,
&end
#
# 67 ALA QB 88 PHE QE 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1024,1025,1026,
igr2=1368,1372,
&end
#
# 68 LYS+ HA 68 LYS+ HG2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1032,1037, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 68 LYS+ HA 68 LYS+ HG3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1032,1038, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 68 LYS+ HA 71 LYS+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1032,1077, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 68 LYS+ HA 71 LYS+ QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1081,1082,
&end
#
# 68 LYS+ HA 71 LYS+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1087,1088,
&end
#
# 68 LYS+ HA 88 PHE HZ 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1032,1370, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 68 LYS+ HA 88 PHE QE 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1368,1372,
&end
#
# 68 LYS+ HN 68 LYS+ QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1034,1035,
&end
#
# 68 LYS+ HN 68 LYS+ QD 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1040,1041,
&end
#
# 68 LYS+ HN 68 LYS+ QG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1037,1038,
&end
#
# 68 LYS+ HN 68 LYS+ HG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1030,1037, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 68 LYS+ HN 68 LYS+ HG3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 68 LYS+ HN 69 GLU- HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1030,1052, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 68 LYS+ QB 68 LYS+ QE 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1034,1035,
igr2=1043,1044,
&end
#
# 68 LYS+ QB 69 GLU- HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1=1034,1035,
&end
#
# 68 LYS+ QB 88 PHE HZ 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1034,1035,
&end
#
# 68 LYS+ QD 69 GLU- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1040,1041,
&end
#
# 68 LYS+ QG 68 LYS+ QE 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1037,1038,
igr2=1043,1044,
&end
#
# 68 LYS+ QG 69 GLU- HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1037,1038,
&end
#
# 68 LYS+ QG 88 PHE HZ 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1037,1038,
&end
#
# 68 LYS+ QG 88 PHE QE 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1037,1038,
igr2=1368,1372,
&end
#
# 68 LYS+ HG2 68 LYS+ QE 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1043,1044,
&end
#
# 68 LYS+ HG2 88 PHE HZ 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1037,1370, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 68 LYS+ HG3 68 LYS+ QE 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1043,1044,
&end
#
# 68 LYS+ HG3 88 PHE HZ 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1038,1370, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 69 GLU HN 71 LYS HN 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1052,1077, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 69 GLU- HA 69 GLU- QG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1059,1060,
&end
#
# 69 GLU- HA 69 GLU- HG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 69 GLU- HA 69 GLU- HG3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1054,1060, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 69 GLU- HA 72 GLU- HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1054,1099, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 69 GLU- HA 72 GLU- QB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1103,1104,
&end
#
# 69 GLU- HA 73 ARG+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1054,1114, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 69 GLU- HN 69 GLU- QG 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1059,1060,
&end
#
# 69 GLU- HN 69 GLU- HB2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1052,1056, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 69 GLU- HN 69 GLU- HB3 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1052,1057, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 69 GLU- HN 69 GLU- HG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1052,1059, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 69 GLU- HN 69 GLU- HG3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1052,1060, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 69 GLU- HN 70 ALA HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 69 GLU- HN 70 ALA QB 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1071,1072,1073,
&end
#
# 69 GLU- QB 70 ALA HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1056,1057,
&end
#
# 69 GLU- QG 73 ARG+ QG 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1059,1060,
igr2=1121,1122,
&end
#
# 69 GLU- HB2 70 ALA HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1056,1067, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 69 GLU- HB3 70 ALA HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1057,1067, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 70 ALA HA 73 ARG+ HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1069,1114, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 70 ALA HA 73 ARG+ QB 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1118,1119,
&end
#
# 70 ALA HA 73 ARG+ HB2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1069,1118, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 70 ALA HA 73 ARG+ HB3 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1069,1119, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 70 ALA HA 74 ALA HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1069,1138, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 70 ALA HA 74 ALA QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1142,1143,1144,
&end
#
# 70 ALA HN 70 ALA QB 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1071,1072,1073,
&end
#
# 70 ALA QB 71 LYS+ HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1071,1072,1073,
&end
#
# 70 ALA QB 72 GLU- HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1071,1072,1073,
&end
#
# 71 LYS+ HA 71 LYS+ QD 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1087,1088,
&end
#
# 71 LYS+ HA 71 LYS+ QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1084,1085,
&end
#
# 71 LYS+ HA 74 ALA HN 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1079,1138, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 71 LYS+ HA 74 ALA QB 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1142,1143,1144,
&end
#
# 71 LYS+ HA 75 ASN HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1079,1148, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 71 LYS+ HA 86 VAL HB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1079,1334, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 71 LYS+ HA 86 VAL QG1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1336,1337,1338,
&end
#
# 71 LYS+ HA 86 VAL QG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1340,1341,1342,
&end
#
# 71 LYS+ HN 71 LYS+ HB2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1077,1081, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 71 LYS+ HN 71 LYS+ HB3 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1077,1082, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 71 LYS+ HN 72 GLU- HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1077,1099, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 71 LYS+ QB 72 GLU- HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1081,1082,
&end
#
# 71 LYS+ QD 72 GLU- HA 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1087,1088,
&end
#
# 71 LYS+ QD 72 GLU- HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1087,1088,
&end
#
# 71 LYS+ QD 88 PHE QE 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1087,1088,
igr2=1368,1372,
&end
#
# 71 LYS+ QE 88 PHE HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1090,1091,
&end
#
# 71 LYS+ QE 88 PHE QD 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1090,1091,
igr2=1366,1374,
&end
#
# 71 LYS+ QE 88 PHE QE 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1090,1091,
igr2=1368,1372,
&end
#
# 71 LYS+ QG 72 GLU- HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1084,1085,
&end
#
# 71 LYS+ QG 75 ASN QB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1084,1085,
igr2=1152,1153,
&end
#
# 71 LYS+ HB2 72 GLU- HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1081,1099, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 71 LYS+ HB3 72 GLU- HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1082,1099, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 71 LYS+ HG2 71 LYS+ QE 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1090,1091,
&end
#
# 71 LYS+ HG3 71 LYS+ QE 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1090,1091,
&end
#
# 72 GLU- HA 72 GLU- QB 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1103,1104,
&end
#
# 72 GLU- HA 72 GLU- QG 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1106,1107,
&end
#
# 72 GLU- HA 75 ASN HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1101,1148, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 72 GLU- HA 75 ASN QB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1152,1153,
&end
#
# 72 GLU- HN 72 GLU- QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1103,1104,
&end
#
# 72 GLU- HN 72 GLU- HG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1099,1106, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 72 GLU- HN 72 GLU- HG3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1099,1107, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 72 GLU- HN 73 ARG+ HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 72 GLU- QB 73 ARG+ HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1103,1104,
&end
#
# 72 GLU- QG 73 ARG+ HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1106,1107,
&end
#
# 73 ARG HA 75 ASN HN 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1116,1148, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 73 ARG+ HA 73 ARG+ QD 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1124,1125,
&end
#
# 73 ARG+ HA 73 ARG+ QG 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1121,1122,
&end
#
# 73 ARG+ HN 73 ARG+ QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1118,1119,
&end
#
# 73 ARG+ HN 73 ARG+ QD 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1124,1125,
&end
#
# 73 ARG+ HN 73 ARG+ QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1121,1122,
&end
#
# 73 ARG+ HN 73 ARG+ HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1114,1118, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 73 ARG+ HN 73 ARG+ HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1114,1119, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 73 ARG+ HN 74 ALA HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1114,1138, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 73 ARG+ HN 74 ALA QB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1142,1143,1144,
&end
#
# 73 ARG+ QD 74 ALA HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1124,1125,
&end
#
# 73 ARG+ QG 74 ALA HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1121,1122,
&end
#
# 73 ARG+ HB2 74 ALA HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1118,1138, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 73 ARG+ HB3 74 ALA HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1119,1138, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 74 ALA HA 77 MET HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1140,1169, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 74 ALA HA 77 MET HN 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1169, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 74 ALA HA 77 MET QE 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1180,1181,1182,
&end
#
# 74 ALA HA 77 MET HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1140,1173, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 74 ALA HA 77 MET HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1140,1174, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 74 ALA HN 74 ALA QB 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1142,1143,1144,
&end
#
# 74 ALA HN 75 ASN HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1138,1148, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 74 ALA HN 75 ASN QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1152,1153,
&end
#
# 74 ALA HN 86 VAL QG2 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1340,1341,1342,
&end
#
# 74 ALA QB 75 ASN HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1142,1143,1144,
&end
#
# 74 ALA QB 77 MET QE 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1142,1143,1144,
igr2=1180,1181,1182,
&end
#
# 74 ALA QB 77 MET HG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1142,1143,1144,
&end
#
# 74 ALA QB 84 ILE QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1142,1143,1144,
igr2=1300,1301,1302,
&end
#
# 74 ALA QB 86 VAL QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1142,1143,1144,
igr2=1340,1341,1342,
&end
#
# 75 ASN HA 76 GLY HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=1150,1162, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 75 ASN HA 77 MET HG2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat=1150,1176, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 75 ASN HA 85 ARG+ HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1150,1308, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 75 ASN HA 86 VAL HB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1150,1334, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 75 ASN HA 86 VAL HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1150,1330, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 75 ASN HA 86 VAL QG2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1340,1341,1342,
&end
#
# 75 ASN HN 75 ASN HB2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1148,1152, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 75 ASN HN 75 ASN HB3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1148,1153, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 75 ASN HN 86 VAL HB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1148,1334, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 75 ASN HN 86 VAL QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1340,1341,1342,
&end
#
# 75 ASN QB 76 GLY HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1152,1153,
&end
#
# 75 ASN QB 86 VAL HB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1152,1153,
&end
#
# 75 ASN QB 86 VAL HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1152,1153,
&end
#
# 75 ASN QB 86 VAL QG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1152,1153,
igr2=1340,1341,1342,
&end
#
# 75 ASN HB2 76 GLY HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1152,1162, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 75 ASN HB2 86 VAL HB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1152,1334, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 75 ASN HB3 76 GLY HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1153,1162, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 75 ASN HB3 86 VAL HB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1153,1334, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 76 GLY HN 77 MET HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1162,1169, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 76 GLY HN 84 ILE QD1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1300,1301,1302,
&end
#
# 76 GLY HN 84 ILE HG13 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1162,1298, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 76 GLY HN 85 ARG+ HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1162,1308, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 76 GLY HN 86 VAL QG2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1340,1341,1342,
&end
#
# 76 GLY QA 84 ILE QD1 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1164,1165,
igr2=1300,1301,1302,
&end
#
# 77 MET HA 78 GLU- HN 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1171,1186, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 77 MET HN 77 MET HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1169,1173, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 77 MET HN 77 MET HB3 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 77 MET HN 77 MET HG2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1169,1176, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 77 MET HN 77 MET HG3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1169,1177, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 77 MET HN 84 ILE HN 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1287, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 77 MET HN 84 ILE QD1 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1300,1301,1302,
&end
#
# 77 MET HN 84 ILE HG12 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1169,1297, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 77 MET HN 84 ILE HG12 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1297, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 77 MET HN 84 ILE HG13 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1169,1298, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 77 MET HN 84 ILE HG13 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1298, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 77 MET QE 78 GLU- HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1180,1181,1182,
&end
#
# 77 MET QE 79 LEU HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1180,1181,1182,
&end
#
# 77 MET QE 79 LEU HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1180,1181,1182,
&end
#
# 77 MET QE 79 LEU HB3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1180,1181,1182,
&end
#
# 77 MET QE 79 LEU QD1 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1180,1181,1182,
igr2=1210,1211,1212,
&end
#
# 77 MET QE 79 LEU QD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1180,1181,1182,
igr2=1214,1215,1216,
&end
#
# 77 MET QE 84 ILE QG2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1180,1181,1182,
igr2=1293,1294,1295,
&end
#
# 77 MET HB2 78 GLU- HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1173,1186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 MET HB3 78 GLU- HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1174,1186, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 77 MET HG2 77 MET QE 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1180,1181,1182,
&end
#
# 77 MET HG2 78 GLU- HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1176,1186, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 77 MET HG2 84 ILE QD1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1300,1301,1302,
&end
#
# 77 MET HG2 84 ILE HG12 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1176,1297, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 77 MET HG2 84 ILE HG13 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1176,1298, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 77 MET HG3 78 GLU- HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1177,1186, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 77 MET HG3 79 LEU HB2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat=1177,1205, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 77 MET HG3 79 LEU HB3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1177,1206, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 77 MET HG3 84 ILE QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1300,1301,1302,
&end
#
# 77 MET HG3 84 ILE HG12 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1177,1297, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 78 GLU- HA 78 GLU- HG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1188,1193, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 78 GLU- HA 78 GLU- HG3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1188,1194, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 78 GLU- HA 79 LEU HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1188,1201, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 78 GLU- HA 84 ILE HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1188,1287, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 78 GLU- HN 78 GLU- QB 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=1190,1191,
&end
#
# 78 GLU- HN 78 GLU- QG 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1193,1194,
&end
#
# 78 GLU- HN 78 GLU- HB2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1186,1190, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 78 GLU- HN 78 GLU- HB3 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1186,1191, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 78 GLU- HN 78 GLU- HG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1186,1193, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 78 GLU- HN 78 GLU- HG3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1186,1194, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 78 GLU- QG 81 GLY HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1193,1194,
&end
#
# 78 GLU- QG 81 GLY QA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1193,1194,
igr2=1234,1235,
&end
#
# 78 GLU- QG 82 ARG+ HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1193,1194,
&end
#
# 78 GLU- HB2 79 LEU HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1190,1201, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 78 GLU- HB3 79 LEU HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1191,1201, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 78 GLU- HG2 79 LEU HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1193,1201, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 78 GLU- HG3 79 LEU HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1194,1201, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 79 LEU HA 79 LEU HG 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 79 LEU HA 79 LEU QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1210,1211,1212,
&end
#
# 79 LEU HA 80 ASP- HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1203,1220, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 79 LEU HG 80 ASP- QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1224,1225,
&end
#
# 79 LEU HN 79 LEU HG 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1201,1208, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 79 LEU HN 79 LEU HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1201,1205, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 79 LEU HN 79 LEU HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1201,1206, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 79 LEU HN 82 ARG+ HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1201,1239, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 79 LEU HN 84 ILE HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat=1201,1287, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 79 LEU HN 84 ILE QG2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1293,1294,1295,
&end
#
# 79 LEU HB2 79 LEU QD1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1210,1211,1212,
&end
#
# 79 LEU HB2 79 LEU QD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1214,1215,1216,
&end
#
# 79 LEU HB2 84 ILE QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1300,1301,1302,
&end
#
# 79 LEU HB2 84 ILE QG2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1293,1294,1295,
&end
#
# 79 LEU HB3 79 LEU QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1210,1211,1212,
&end
#
# 79 LEU HB3 79 LEU QD2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1214,1215,1216,
&end
#
# 79 LEU HB3 84 ILE QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1293,1294,1295,
&end
#
# 79 LEU QD1 80 ASP- HA 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1210,1211,1212,
&end
#
# 79 LEU QD1 80 ASP- HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1210,1211,1212,
&end
#
# 79 LEU QD2 80 ASP- QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1214,1215,1216,
igr2=1224,1225,
&end
#
# 80 ASP- HA 81 GLY HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1222,1232, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 80 ASP- HN 81 GLY HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1220,1232, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 81 GLY HN 82 ARG+ HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1232,1239, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 82 ARG+ HA 82 ARG+ QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1249,1250,
&end
#
# 82 ARG+ HA 83 ARG+ HN 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat=1241,1263, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 82 ARG+ HN 82 ARG+ QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1243,1244,
&end
#
# 82 ARG+ HN 82 ARG+ QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1249,1250,
&end
#
# 82 ARG+ HN 82 ARG+ QG 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1246,1247,
&end
#
# 82 ARG+ HN 84 ILE QG2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1293,1294,1295,
&end
#
# 82 ARG+ QB 83 ARG+ HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1243,1244,
&end
#
# 82 ARG+ QD 83 ARG+ HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1249,1250,
&end
#
# 82 ARG+ HB2 82 ARG+ QD 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1249,1250,
&end
#
# 82 ARG+ HB3 82 ARG+ QD 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1249,1250,
&end
#
# 83 ARG HA 84 ILE HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1265,1287, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 83 ARG+ HA 84 ILE HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1265,1287, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 83 ARG+ HN 83 ARG+ QB 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1267,1268,
&end
#
# 83 ARG+ HN 83 ARG+ QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1273,1274,
&end
#
# 83 ARG+ HN 83 ARG+ QG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1270,1271,
&end
#
# 83 ARG+ HN 83 ARG+ HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1263,1267, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 83 ARG+ HN 83 ARG+ HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1263,1268, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 83 ARG+ HN 83 ARG+ HG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1263,1270, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 83 ARG+ HN 83 ARG+ HG3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1263,1271, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 83 ARG+ QB 84 ILE HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1267,1268,
&end
#
# 84 ILE HA 84 ILE QG2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1293,1294,1295,
&end
#
# 84 ILE HA 85 ARG+ HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1289,1306, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 ILE HB 84 ILE QD1 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1300,1301,1302,
&end
#
# 84 ILE HB 85 ARG+ HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1291,1306, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 84 ILE HN 84 ILE HB 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1287,1291, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 84 ILE HN 84 ILE QD1 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1300,1301,1302,
&end
#
# 84 ILE HN 84 ILE QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1293,1294,1295,
&end
#
# 84 ILE HN 84 ILE HG12 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1287,1297, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 84 ILE HN 84 ILE HG13 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1287,1298, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 84 ILE QG2 84 ILE HG12 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1293,1294,1295,
&end
#
# 84 ILE QG2 84 ILE HG13 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1293,1294,1295,
&end
#
# 84 ILE QG2 85 ARG+ HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1293,1294,1295,
&end
#
# 84 ILE HG12 86 VAL QG2 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1340,1341,1342,
&end
#
# 84 ILE HG13 85 ARG+ HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1298,1306, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 84 ILE HG13 86 VAL QG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1340,1341,1342,
&end
#
# 85 ARG+ HA 85 ARG+ QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1316,1317,
&end
#
# 85 ARG+ HA 85 ARG+ QG 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1313,1314,
&end
#
# 85 ARG+ HA 86 VAL HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1308,1330, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 85 ARG+ HA 86 VAL QG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1340,1341,1342,
&end
#
# 85 ARG+ HN 85 ARG+ QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1310,1311,
&end
#
# 85 ARG+ HN 85 ARG+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1313,1314,
&end
#
# 85 ARG+ HN 85 ARG+ HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1306,1310, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 85 ARG+ HN 85 ARG+ HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1306,1311, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 85 ARG+ QG 86 VAL HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1313,1314,
&end
#
# 86 VAL HA 86 VAL QG1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1336,1337,1338,
&end
#
# 86 VAL HA 86 VAL QG2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1340,1341,1342,
&end
#
# 86 VAL HA 87 ASP- HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1332,1346, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 86 VAL HN 86 VAL HB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1330,1334, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 86 VAL HN 86 VAL QG1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1336,1337,1338,
&end
#
# 86 VAL HN 86 VAL QG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1340,1341,1342,
&end
#
# 86 VAL QG1 87 ASP- HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1336,1337,1338,
&end
#
# 86 VAL QG2 87 ASP- HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1340,1341,1342,
&end
#
# 87 ASP- HA 88 PHE HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1348,1358, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 87 ASP- HN 87 ASP- QB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1350,1351,
&end
#
# 87 ASP- QB 88 PHE HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1350,1351,
&end
#
# 87 ASP- HB2 88 PHE HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1350,1358, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 87 ASP- HB3 88 PHE HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1351,1358, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 88 PHE HA 89 SER HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1360,1378, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 88 PHE HN 88 PHE QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1362,1363,
&end
#
# 88 PHE HN 88 PHE QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1366,1374,
&end
#
# 88 PHE HN 88 PHE HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1358,1362, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 88 PHE HN 88 PHE HB3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1358,1363, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 88 PHE QB 89 SER HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1362,1363,
&end
#
# 88 PHE QD 89 SER HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1366,1374,
&end
#
# 88 PHE HB2 89 SER HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1362,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 PHE HB3 89 SER HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1363,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 SER HN 89 SER HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1378,1382, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 89 SER HN 89 SER HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1378,1383, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 90 ILE HA 90 ILE QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1402,1403,1404,
&end
#
# 90 ILE HA 90 ILE QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1395,1396,1397,
&end
#
# 90 ILE HB 90 ILE QD1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1402,1403,1404,
&end
#
# 90 ILE HN 90 ILE HB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1389,1393, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 90 ILE HN 90 ILE QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1395,1396,1397,
&end
#
# 90 ILE HN 90 ILE HG12 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1389,1399, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 90 ILE HN 90 ILE HG13 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1389,1400, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 90 ILE QG2 90 ILE QG1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1395,1396,1397,
igr2=1399,1400,
&end
#
# 90 ILE QG2 90 ILE HG12 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1395,1396,1397,
&end
#
# 90 ILE QG2 90 ILE HG13 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1395,1396,1397,
&end
#
# 91 THR HA 91 THR QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1414,1415,1416,
&end
#
# 91 THR HN 91 THR QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1414,1415,1416,
&end
#
# 92 LYS+ HA 92 LYS+ QD 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1432,1433,
&end
#
# 93 ARG+ HA 93 ARG+ QD 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1454,1455,
&end
#
# 93 ARG+ HA 93 ARG+ QG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1451,1452,
&end
#
# 93 ARG+ HA 94 PROO QD 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1469,1470,
&end
#
# 93 ARG+ HA 94 PROO HD2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1446,1469, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 93 ARG+ HA 94 PROO HD3 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1446,1470, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 93 ARG+ HN 93 ARG+ QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1448,1449,
&end
#
# 93 ARG+ QB 93 ARG+ QD 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1448,1449,
igr2=1454,1455,
&end
#
# 93 ARG+ QB 94 PROO QD 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1448,1449,
igr2=1469,1470,
&end
#
# 93 ARG+ QG 93 ARG+ QD 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1451,1452,
igr2=1454,1455,
&end
#
# 93 ARG+ QG 94 PROO QD 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1451,1452,
igr2=1469,1470,
&end
#
# 93 ARG+ HB2 93 ARG+ QD 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1454,1455,
&end
#
# 93 ARG+ HB3 93 ARG+ QD 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1454,1455,
&end
#
# 94 PROO QD 94 PROO QB 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1469,1470,
igr2=1475,1476,
&end
#
# 94 PROO HD2 94 PROO QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1472,1473,
&end
#
# 94 PROO HD3 94 PROO QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1472,1473,
&end
#
# 95 HIS QB 96 THR HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1486,1487,
&end
#
# 96 THR HA 96 THR QG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1505,1506,1507,
&end
#
# 96 THR HN 96 THR QG2 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1505,1506,1507,
&end
# 1512 atoms read from pdb file leap.pdb.
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