NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
628341 |
5or5   |
34172 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: RST
#
# 4 GLN HA 4 GLN HB2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 49, 51, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 4 GLN HA 4 GLN QG 3.46
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 54, 55,
&end
#
# 4 GLN HA 5 LEU H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 49, 64, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 4 GLN HB2 5 LEU H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 51, 64, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 4 GLN HB2 5 LEU HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 51, 68, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 4 GLN HB2 5 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 71, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 LEU H 5 LEU HG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 64, 71, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 5 LEU H 5 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 73, 74, 75,
&end
#
# 5 LEU H 6 THR H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 64, 83, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 5 LEU HA 5 LEU QD1 3.05
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 73, 74, 75,
&end
#
# 5 LEU HA 6 THR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 66, 83, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 LEU HA 6 THR QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 89, 90, 91,
&end
#
# 5 LEU HA 9 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 66, 130, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 5 LEU HA 9 VAL QG1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 132, 133, 134,
&end
#
# 5 LEU HA 9 VAL QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 136, 137, 138,
&end
#
# 5 LEU HB2 5 LEU QD2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 77, 78, 79,
&end
#
# 5 LEU HB2 6 THR H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 68, 83, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 5 LEU HB3 5 LEU QD1 3.16
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 73, 74, 75,
&end
#
# 5 LEU HB3 6 THR H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 69, 83, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 5 LEU HB3 9 VAL QG1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 132, 133, 134,
&end
#
# 5 LEU QD1 6 THR H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 73, 74, 75,
&end
#
# 5 LEU QD1 6 THR QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 73, 74, 75,
igr2= 89, 90, 91,
&end
#
# 5 LEU QD1 9 VAL HB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 73, 74, 75,
&end
#
# 5 LEU QD1 9 VAL QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 73, 74, 75,
igr2= 132, 133, 134,
&end
#
# 5 LEU QD1 9 VAL QG2 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 73, 74, 75,
igr2= 136, 137, 138,
&end
#
# 6 THR H 6 THR QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 89, 90, 91,
&end
#
# 6 THR H 7 ASP H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 83, 97, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 6 THR H 8 GLN H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 83, 109, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 6 THR H 9 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 83, 126, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 6 THR H 9 VAL HB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 83, 130, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 6 THR H 9 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 132, 133, 134,
&end
#
# 6 THR H 9 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 136, 137, 138,
&end
#
# 6 THR HA 6 THR QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 89, 90, 91,
&end
#
# 6 THR HA 7 ASP H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 85, 97, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 6 THR HA 8 GLN H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 85, 109, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 6 THR HA 9 VAL H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 85, 126, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 6 THR HB 7 ASP H 3.74
&rst
ixpk= 0, nxpk= 0, iat= 87, 97, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 6 THR HB 8 GLN H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 87, 109, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 6 THR QG2 10 LEU QD2 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 89, 90, 91,
igr2= 155, 156, 157,
&end
#
# 6 THR QG2 7 ASP H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 89, 90, 91,
&end
#
# 6 THR QG2 8 GLN H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 89, 90, 91,
&end
#
# 6 THR QG2 9 VAL H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 89, 90, 91,
&end
#
# 6 THR QG2 9 VAL HB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 89, 90, 91,
&end
#
# 6 THR QG2 9 VAL QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 89, 90, 91,
igr2= 136, 137, 138,
&end
#
# 7 ASP H 7 ASP HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 97, 101, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 7 ASP H 8 GLN H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 97, 109, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 7 ASP H 8 GLN HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 97, 113, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 7 ASP H 9 VAL H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 97, 126, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 7 ASP HA 10 LEU H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 99, 142, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 7 ASP HA 10 LEU HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 99, 146, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 7 ASP HA 10 LEU QD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 155, 156, 157,
&end
#
# 7 ASP HA 11 VAL QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 171, 172, 173,
&end
#
# 7 ASP HA 25 LEU QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 401, 402, 403,
&end
#
# 7 ASP HB2 11 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 171, 172, 173,
&end
#
# 7 ASP HB2 8 GLN H 3.82
&rst
ixpk= 0, nxpk= 0, iat= 101, 109, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 7 ASP HB2 8 GLN HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 101, 111, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 7 ASP HB3 11 VAL QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 171, 172, 173,
&end
#
# 7 ASP HB3 25 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 401, 402, 403,
&end
#
# 7 ASP HB3 70 PHE HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 102,1132, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 7 ASP HB3 70 PHE QD 5.10
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1135,1143,
&end
#
# 7 ASP HB3 8 GLN H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 102, 109, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 8 GLN H 10 LEU H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 109, 142, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 8 GLN H 11 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 171, 172, 173,
&end
#
# 8 GLN H 66 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1061,1062,1063,
&end
#
# 8 GLN H 8 GLN HB2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 109, 113, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 8 GLN H 8 GLN HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat= 109, 114, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 8 GLN H 8 GLN HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 109, 116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 8 GLN H 8 GLN HG3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 109, 117, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 8 GLN H 9 VAL H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 8 GLN H 9 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 132, 133, 134,
&end
#
# 8 GLN HA 11 VAL H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 111, 161, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 8 GLN HA 11 VAL HB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 111, 165, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 8 GLN HA 11 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 171, 172, 173,
&end
#
# 8 GLN HA 12 GLU H 4.86
&rst
ixpk= 0, nxpk= 0, iat= 111, 177, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 8 GLN HA 66 ILE QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1061,1062,1063,
&end
#
# 8 GLN HA 8 GLN HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 8 GLN HA 8 GLN HG3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 111, 117, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 8 GLN HB2 9 VAL H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 113, 126, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 8 GLN HB2 9 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 132, 133, 134,
&end
#
# 8 GLN HB3 66 ILE QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1061,1062,1063,
&end
#
# 8 GLN HB3 66 ILE QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1058,1059,
&end
#
# 8 GLN HB3 9 VAL H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 114, 126, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 8 GLN HB3 9 VAL QG1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 132, 133, 134,
&end
#
# 8 GLN HE21 66 ILE QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1061,1062,1063,
&end
#
# 8 GLN HE21 66 ILE QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1058,1059,
&end
#
# 8 GLN HE22 66 ILE QD1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1061,1062,1063,
&end
#
# 8 GLN HG2 11 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 171, 172, 173,
&end
#
# 8 GLN HG2 12 GLU HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 116, 184, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 8 GLN HG2 12 GLU HG3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 116, 185, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 8 GLN HG2 66 ILE HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 116,1052, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 8 GLN HG2 66 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1061,1062,1063,
&end
#
# 8 GLN HG2 66 ILE QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1058,1059,
&end
#
# 8 GLN HG2 8 GLN HE21 4.03
&rst
ixpk= 0, nxpk= 0, iat= 116, 122, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 8 GLN HG2 9 VAL QG1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 132, 133, 134,
&end
#
# 8 GLN HG3 11 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 171, 172, 173,
&end
#
# 8 GLN HG3 66 ILE QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1058,1059,
&end
#
# 8 GLN HG3 8 GLN HE21 3.92
&rst
ixpk= 0, nxpk= 0, iat= 117, 122, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 9 VAL H 10 LEU H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 126, 142, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 9 VAL H 10 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 155, 156, 157,
&end
#
# 9 VAL H 11 VAL H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 126, 161, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 9 VAL H 9 VAL HB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 9 VAL H 9 VAL QG1 3.15
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 132, 133, 134,
&end
#
# 9 VAL H 9 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 136, 137, 138,
&end
#
# 9 VAL HA 12 GLU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 128, 177, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 VAL HA 12 GLU HG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 128, 184, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 9 VAL HA 12 GLU HG3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 128, 185, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 9 VAL HA 12 GLU QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 181, 182,
&end
#
# 9 VAL HA 13 ARG H 4.87
&rst
ixpk= 0, nxpk= 0, iat= 128, 192, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 9 VAL HA 13 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 202, 203,
&end
#
# 9 VAL HA 9 VAL QG1 3.13
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 132, 133, 134,
&end
#
# 9 VAL HA 9 VAL QG2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 136, 137, 138,
&end
#
# 9 VAL QG1 10 LEU H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 132, 133, 134,
&end
#
# 9 VAL QG1 10 LEU HG 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 132, 133, 134,
&end
#
# 9 VAL QG1 10 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 132, 133, 134,
igr2= 155, 156, 157,
&end
#
# 9 VAL QG1 11 VAL QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 132, 133, 134,
igr2= 171, 172, 173,
&end
#
# 9 VAL QG2 10 LEU H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 10 LEU HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 10 LEU HG 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 13 ARG QD 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 136, 137, 138,
igr2= 202, 203,
&end
#
# 10 LEU H 10 LEU HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 10 LEU H 10 LEU HG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 142, 149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 LEU H 10 LEU QD2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 155, 156, 157,
&end
#
# 10 LEU H 11 VAL H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 142, 161, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 10 LEU H 11 VAL QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 171, 172, 173,
&end
#
# 10 LEU H 25 LEU QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 401, 402, 403,
&end
#
# 10 LEU HA 10 LEU QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 151, 152, 153,
&end
#
# 10 LEU HA 10 LEU QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 155, 156, 157,
&end
#
# 10 LEU HA 12 GLU H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 144, 177, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 10 LEU HA 13 ARG QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 202, 203,
&end
#
# 10 LEU HA 21 ALA QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 333, 334, 335,
&end
#
# 10 LEU HA 25 LEU QD2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 405, 406, 407,
&end
#
# 10 LEU HB2 10 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 155, 156, 157,
&end
#
# 10 LEU HB2 11 VAL H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 146, 161, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 10 LEU HB2 25 LEU QD1 3.51
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 401, 402, 403,
&end
#
# 10 LEU HB2 25 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 405, 406, 407,
&end
#
# 10 LEU HB3 10 LEU QD1 3.04
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 151, 152, 153,
&end
#
# 10 LEU HB3 10 LEU QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 155, 156, 157,
&end
#
# 10 LEU HB3 11 VAL H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 147, 161, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 LEU HB3 21 ALA QB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 333, 334, 335,
&end
#
# 10 LEU HB3 25 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 405, 406, 407,
&end
#
# 10 LEU HG 11 VAL H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 149, 161, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 10 LEU QD1 13 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 151, 152, 153,
igr2= 202, 203,
&end
#
# 10 LEU QD1 21 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 151, 152, 153,
igr2= 333, 334, 335,
&end
#
# 10 LEU QD1 25 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 151, 152, 153,
&end
#
# 10 LEU QD1 25 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 151, 152, 153,
igr2= 405, 406, 407,
&end
#
# 10 LEU QD2 11 VAL H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 21 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 21 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 155, 156, 157,
igr2= 333, 334, 335,
&end
#
# 10 LEU QD2 24 LEU HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 24 LEU HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 25 LEU H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 25 LEU HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 25 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 155, 156, 157,
igr2= 401, 402, 403,
&end
#
# 10 LEU QD2 25 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 155, 156, 157,
igr2= 405, 406, 407,
&end
#
# 10 LEU QD2 28 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 155, 156, 157,
&end
#
# 11 VAL H 11 VAL HB 3.56
&rst
ixpk= 0, nxpk= 0, iat= 161, 165, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 11 VAL H 11 VAL QG1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 167, 168, 169,
&end
#
# 11 VAL H 11 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 171, 172, 173,
&end
#
# 11 VAL H 12 GLU H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 161, 177, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 11 VAL H 12 GLU HG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 161, 184, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 11 VAL H 12 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 161, 185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL H 21 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 333, 334, 335,
&end
#
# 11 VAL H 25 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 401, 402, 403,
&end
#
# 11 VAL H 66 ILE QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1061,1062,1063,
&end
#
# 11 VAL HA 11 VAL QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 167, 168, 169,
&end
#
# 11 VAL HA 11 VAL QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 171, 172, 173,
&end
#
# 11 VAL HA 12 GLU HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 163, 179, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 11 VAL HA 13 ARG H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 163, 192, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 11 VAL HA 14 VAL H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 163, 216, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 11 VAL HA 14 VAL HB 4.67
&rst
ixpk= 0, nxpk= 0, iat= 163, 220, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 11 VAL HA 14 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 222, 223, 224,
&end
#
# 11 VAL HA 25 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 405, 406, 407,
&end
#
# 11 VAL HA 61 LEU QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 983, 984, 985,
&end
#
# 11 VAL HA 61 LEU QD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 987, 988, 989,
&end
#
# 11 VAL HB 12 GLU H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 11 VAL HB 25 LEU QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 401, 402, 403,
&end
#
# 11 VAL QG1 12 GLU H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 12 GLU HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 12 GLU HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 14 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 14 VAL QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 167, 168, 169,
igr2= 226, 227, 228,
&end
#
# 11 VAL QG1 15 GLN H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 15 GLN HE21 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 15 GLN HE22 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 15 GLN HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 15 GLN HG3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 61 LEU HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 64 PHE HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 64 PHE QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 167, 168, 169,
igr2=1024,1032,
&end
#
# 11 VAL QG1 64 PHE QE 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 167, 168, 169,
igr2=1026,1030,
&end
#
# 11 VAL QG1 66 ILE HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 66 ILE HB 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 66 ILE QD1 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 167, 168, 169,
igr2=1061,1062,1063,
&end
#
# 11 VAL QG1 66 ILE QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 167, 168, 169,
igr2=1058,1059,
&end
#
# 11 VAL QG1 70 PHE HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG2 12 GLU H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 13 ARG H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 64 PHE QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 171, 172, 173,
igr2=1024,1032,
&end
#
# 11 VAL QG2 64 PHE QE 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 171, 172, 173,
igr2=1026,1030,
&end
#
# 11 VAL QG2 66 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 171, 172, 173,
igr2=1061,1062,1063,
&end
#
# 11 VAL QG2 70 PHE HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 70 PHE HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 70 PHE QD 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 171, 172, 173,
igr2=1135,1143,
&end
#
# 12 GLU H 12 GLU HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 12 GLU H 12 GLU HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 177, 184, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 12 GLU H 12 GLU HG3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 177, 185, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 12 GLU H 12 GLU QB 3.24
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 181, 182,
&end
#
# 12 GLU H 13 ARG H 3.79
&rst
ixpk= 0, nxpk= 0, iat= 177, 192, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 12 GLU H 14 VAL H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 177, 216, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 12 GLU H 15 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 177, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLU H 66 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1061,1062,1063,
&end
#
# 12 GLU HA 12 GLU HG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 179, 184, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 12 GLU HA 12 GLU QB 2.67
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 181, 182,
&end
#
# 12 GLU HA 15 GLN H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 179, 232, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 12 GLU HA 15 GLN HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 179, 236, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 12 GLU HA 15 GLN HG3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 179, 240, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 12 GLU HA 66 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1061,1062,1063,
&end
#
# 12 GLU HA 66 ILE QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1054,1055,1056,
&end
#
# 12 GLU HG2 13 ARG H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 184, 192, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 12 GLU HG2 66 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184,1048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLU HG2 66 ILE HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 184,1050, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 12 GLU HG2 66 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1061,1062,1063,
&end
#
# 12 GLU HG2 66 ILE QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1058,1059,
&end
#
# 12 GLU HG2 66 ILE QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1054,1055,1056,
&end
#
# 12 GLU HG3 13 ARG H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 185, 192, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 12 GLU HG3 66 ILE QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1061,1062,1063,
&end
#
# 12 GLU HG3 66 ILE QG1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1058,1059,
&end
#
# 12 GLU QB 14 VAL H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 181, 182,
&end
#
# 12 GLU QB 16 LYS QE 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 181, 182,
igr2= 262, 263,
&end
#
# 12 GLU QB 66 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 181, 182,
igr2=1061,1062,1063,
&end
#
# 13 ARG H 13 ARG HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 192, 196, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 13 ARG H 13 ARG HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 192, 197, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 13 ARG H 13 ARG HG3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 192, 200, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 13 ARG H 13 ARG QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 202, 203,
&end
#
# 13 ARG H 14 VAL H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 192, 216, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 13 ARG H 14 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 222, 223, 224,
&end
#
# 13 ARG H 15 GLN H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 192, 232, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 ARG H 21 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 333, 334, 335,
&end
#
# 13 ARG H 66 ILE QD1 5.49
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1061,1062,1063,
&end
#
# 13 ARG HA 13 ARG QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 202, 203,
&end
#
# 13 ARG HA 13 ARG QG 3.14
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 199, 200,
&end
#
# 13 ARG HA 14 VAL HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 13 ARG HA 14 VAL QG1 5.20
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 222, 223, 224,
&end
#
# 13 ARG HA 16 LYS H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 194, 249, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 13 ARG HA 16 LYS HB3 4.26
&rst
ixpk= 0, nxpk= 0, iat= 194, 254, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 13 ARG HA 16 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ARG HA 16 LYS HG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 194, 256, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 13 ARG HA 16 LYS QE 4.72
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 262, 263,
&end
#
# 13 ARG HA 17 GLY H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 194, 271, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 13 ARG HA 18 ASP H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 194, 278, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 ARG HA 18 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ARG HA 18 ASP HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 194, 283, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 ARG HB2 13 ARG QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 202, 203,
&end
#
# 13 ARG HB2 14 VAL H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 196, 216, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 13 ARG HB2 14 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 222, 223, 224,
&end
#
# 13 ARG HB3 13 ARG QD 3.55
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 202, 203,
&end
#
# 13 ARG HB3 14 VAL H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 197, 216, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 13 ARG HB3 18 ASP HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 197, 282, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 13 ARG QD 18 ASP HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 202, 203,
&end
#
# 13 ARG QD 21 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 202, 203,
igr2= 333, 334, 335,
&end
#
# 13 ARG QG 18 ASP HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 199, 200,
&end
#
# 13 ARG QG 18 ASP HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 199, 200,
&end
#
# 14 VAL H 14 VAL HB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 216, 220, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 14 VAL H 14 VAL QG1 3.24
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 222, 223, 224,
&end
#
# 14 VAL H 14 VAL QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 226, 227, 228,
&end
#
# 14 VAL H 15 GLN H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 216, 232, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 14 VAL H 21 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 333, 334, 335,
&end
#
# 14 VAL H 22 PHE HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 216, 343, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 14 VAL H 25 LEU QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 405, 406, 407,
&end
#
# 14 VAL HA 14 VAL QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 222, 223, 224,
&end
#
# 14 VAL HA 14 VAL QG2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 226, 227, 228,
&end
#
# 14 VAL HA 16 LYS H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 218, 249, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 14 VAL HA 17 GLY H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 218, 271, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 14 VAL HA 18 ASP H 3.24
&rst
ixpk= 0, nxpk= 0, iat= 218, 278, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 14 VAL HA 18 ASP HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 218, 282, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 14 VAL HA 18 ASP HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 218, 283, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 14 VAL HA 21 ALA QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 333, 334, 335,
&end
#
# 14 VAL HB 15 GLN H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 220, 232, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 14 VAL HB 21 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 333, 334, 335,
&end
#
# 14 VAL HB 25 LEU QD2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 405, 406, 407,
&end
#
# 14 VAL HB 61 LEU QD2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 987, 988, 989,
&end
#
# 14 VAL QG1 15 GLN H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 18 ASP H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 19 GLN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 21 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 21 ALA QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 222, 223, 224,
igr2= 333, 334, 335,
&end
#
# 14 VAL QG1 22 PHE H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 22 PHE HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 22 PHE HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 22 PHE HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 22 PHE QD 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 222, 223, 224,
igr2= 347, 355,
&end
#
# 14 VAL QG1 22 PHE QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 222, 223, 224,
igr2= 349, 353,
&end
#
# 14 VAL QG1 25 LEU QD1 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1= 222, 223, 224,
igr2= 401, 402, 403,
&end
#
# 14 VAL QG1 25 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 222, 223, 224,
igr2= 405, 406, 407,
&end
#
# 14 VAL QG1 58 TYR QD 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 222, 223, 224,
igr2= 927, 936,
&end
#
# 14 VAL QG1 58 TYR QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 222, 223, 224,
igr2= 929, 934,
&end
#
# 14 VAL QG1 61 LEU QD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 222, 223, 224,
igr2= 987, 988, 989,
&end
#
# 14 VAL QG2 15 GLN H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 15 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 17 GLY H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 18 ASP H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 19 GLN HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 21 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 226, 227, 228,
igr2= 333, 334, 335,
&end
#
# 14 VAL QG2 22 PHE H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 22 PHE HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 22 PHE HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 22 PHE HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 22 PHE QD 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 226, 227, 228,
igr2= 347, 355,
&end
#
# 14 VAL QG2 22 PHE QE 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 226, 227, 228,
igr2= 349, 353,
&end
#
# 14 VAL QG2 25 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 226, 227, 228,
igr2= 405, 406, 407,
&end
#
# 14 VAL QG2 58 TYR QD 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 226, 227, 228,
igr2= 927, 936,
&end
#
# 14 VAL QG2 58 TYR QE 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 226, 227, 228,
igr2= 929, 934,
&end
#
# 14 VAL QG2 61 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 61 LEU HG 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 61 LEU QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 226, 227, 228,
igr2= 983, 984, 985,
&end
#
# 14 VAL QG2 61 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 226, 227, 228,
igr2= 987, 988, 989,
&end
#
# 15 GLN H 15 GLN HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 15 GLN H 15 GLN HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 232, 237, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 15 GLN H 15 GLN HE21 5.07
&rst
ixpk= 0, nxpk= 0, iat= 232, 245, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 15 GLN H 15 GLN HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 232, 239, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 15 GLN H 15 GLN HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 232, 240, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 15 GLN H 16 LYS H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 232, 249, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 15 GLN H 17 GLY H 4.87
&rst
ixpk= 0, nxpk= 0, iat= 232, 271, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 15 GLN H 21 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 333, 334, 335,
&end
#
# 15 GLN H 61 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 987, 988, 989,
&end
#
# 15 GLN HA 15 GLN HG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 234, 239, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 15 GLN HA 62 ASP H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 234, 993, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 15 GLN HA 62 ASP HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 234, 995, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 15 GLN HB2 16 LYS H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 15 GLN HB2 16 LYS HG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 236, 256, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 15 GLN HB2 16 LYS QE 3.77
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 262, 263,
&end
#
# 15 GLN HB2 62 ASP HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 236, 995, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 15 GLN HB3 15 GLN HE21 5.04
&rst
ixpk= 0, nxpk= 0, iat= 237, 245, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 15 GLN HB3 16 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 237, 249, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 GLN HB3 16 LYS HD3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 237, 260, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 15 GLN HB3 16 LYS QE 4.57
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 262, 263,
&end
#
# 15 GLN HB3 17 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 237, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HE21 61 LEU HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 245, 976, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 15 GLN HE21 61 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 987, 988, 989,
&end
#
# 15 GLN HE21 62 ASP HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= 245, 995, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 15 GLN HE21 64 PHE H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 245,1016, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 15 GLN HE21 66 ILE H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 245,1048, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 15 GLN HE21 66 ILE HB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 245,1052, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 15 GLN HE21 66 ILE QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1061,1062,1063,
&end
#
# 15 GLN HE21 66 ILE QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1054,1055,1056,
&end
#
# 15 GLN HE22 62 ASP HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 244, 995, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 15 GLN HE22 64 PHE H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 244,1016, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 15 GLN HE22 64 PHE HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 244,1020, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 15 GLN HE22 64 PHE QD 5.48
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1024,1032,
&end
#
# 15 GLN HE22 65 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 244,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HE22 66 ILE HB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 244,1052, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 15 GLN HE22 66 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1061,1062,1063,
&end
#
# 15 GLN HE22 66 ILE QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1054,1055,1056,
&end
#
# 15 GLN HG2 61 LEU QD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 987, 988, 989,
&end
#
# 15 GLN HG3 16 LYS H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 240, 249, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 15 GLN HG3 61 LEU HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 240, 979, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 15 GLN HG3 62 ASP HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 240, 995, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 16 LYS H 16 LYS HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat= 249, 254, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 16 LYS H 16 LYS HD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 249, 259, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 16 LYS H 16 LYS HD3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 249, 260, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 16 LYS H 16 LYS HE3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 249, 263, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 16 LYS H 16 LYS HG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 249, 256, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 16 LYS H 16 LYS HG3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 249, 257, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 16 LYS H 16 LYS QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 262, 263,
&end
#
# 16 LYS H 17 GLY H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 249, 271, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 16 LYS H 18 ASP H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 249, 278, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 16 LYS HA 16 LYS HD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 251, 259, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 16 LYS HA 16 LYS HD3 3.22
&rst
ixpk= 0, nxpk= 0, iat= 251, 260, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 16 LYS HA 16 LYS HG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 251, 256, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 16 LYS HA 16 LYS QE 4.51
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 262, 263,
&end
#
# 16 LYS HA 17 GLY HA3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 251, 274, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 16 LYS HB2 16 LYS HD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 253, 259, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 16 LYS HB2 16 LYS HD3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 16 LYS HB2 17 GLY H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 253, 271, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 16 LYS HB3 16 LYS HD3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 254, 260, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 16 LYS HB3 16 LYS QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 262, 263,
&end
#
# 16 LYS HB3 17 GLY H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 16 LYS HB3 18 ASP H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 254, 278, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 16 LYS HD2 16 LYS QE 2.93
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 262, 263,
&end
#
# 16 LYS HG2 16 LYS HD3 2.40
&rst
ixpk= 0, nxpk= 0, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 16 LYS HG2 16 LYS QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 262, 263,
&end
#
# 16 LYS HG2 17 GLY H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 256, 271, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 16 LYS HG3 16 LYS QE 3.03
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 262, 263,
&end
#
# 17 GLY H 18 ASP H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 271, 278, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 17 GLY H 18 ASP HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 271, 283, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 18 ASP H 18 ASP HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 18 ASP H 18 ASP HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 18 ASP H 21 ALA H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 278, 329, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 18 ASP H 21 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 333, 334, 335,
&end
#
# 18 ASP HA 19 GLN H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 18 ASP HA 20 LYS H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 280, 307, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 18 ASP HB2 19 GLN H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 282, 290, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 18 ASP HB2 20 LYS HG3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 282, 315, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 18 ASP HB2 20 LYS QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 317, 318,
&end
#
# 18 ASP HB2 20 LYS QE 3.44
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 320, 321,
&end
#
# 18 ASP HB2 21 ALA QB 4.07
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 333, 334, 335,
&end
#
# 18 ASP HB3 20 LYS QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 317, 318,
&end
#
# 18 ASP HB3 20 LYS QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 320, 321,
&end
#
# 18 ASP HB3 21 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 283, 329, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 ASP HB3 21 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 333, 334, 335,
&end
#
# 19 GLN H 19 GLN HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 19 GLN H 19 GLN HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 290, 295, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 19 GLN H 19 GLN HG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 290, 297, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 19 GLN H 19 GLN QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 297, 298,
&end
#
# 19 GLN H 20 LYS H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 290, 307, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 19 GLN H 21 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 290, 329, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 19 GLN HA 19 GLN HG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 GLN HA 19 GLN HG3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 292, 298, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 19 GLN HA 22 PHE H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 292, 339, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 19 GLN HA 22 PHE HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 292, 343, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 19 GLN HA 22 PHE HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 292, 344, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 19 GLN HA 22 PHE QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 347, 355,
&end
#
# 19 GLN HB2 20 LYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 294, 307, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 19 GLN HB3 20 LYS H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 295, 307, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 19 GLN HB3 22 PHE HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 295, 344, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 19 GLN HG2 20 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN QG 20 LYS H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 297, 298,
&end
#
# 20 LYS H 20 LYS HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 307, 311, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 20 LYS H 20 LYS HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 20 LYS H 20 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LYS H 20 LYS HG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 LYS H 20 LYS HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 307, 315, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 20 LYS H 20 LYS QD 4.43
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 317, 318,
&end
#
# 20 LYS H 20 LYS QE 5.03
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 320, 321,
&end
#
# 20 LYS H 21 ALA H 3.17
&rst
ixpk= 0, nxpk= 0, iat= 307, 329, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 20 LYS H 21 ALA HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 307, 331, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 20 LYS H 22 PHE H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 307, 339, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 20 LYS H 23 ASN H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 307, 359, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 20 LYS HA 20 LYS HG3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 309, 315, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 20 LYS HA 20 LYS QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 317, 318,
&end
#
# 20 LYS HA 23 ASN HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 309, 363, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 20 LYS HA 23 ASN HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 309, 364, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 20 LYS HA 24 LEU HG 4.92
&rst
ixpk= 0, nxpk= 0, iat= 309, 380, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 LYS HB2 20 LYS QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 317, 318,
&end
#
# 20 LYS HB2 21 ALA H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 311, 329, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 20 LYS HB3 20 LYS QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 317, 318,
&end
#
# 20 LYS HB3 21 ALA H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 312, 329, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 20 LYS HG2 20 LYS QD 2.41
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,
igr2= 317, 318,
&end
#
# 20 LYS HG2 20 LYS QE 3.23
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 320, 321,
&end
#
# 20 LYS HG2 21 ALA H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 314, 329, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 20 LYS HG3 20 LYS QD 2.93
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 317, 318,
&end
#
# 20 LYS HG3 21 ALA H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 315, 329, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 LYS QD 20 LYS QE 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 317, 318,
igr2= 320, 321,
&end
#
# 20 LYS QD 21 ALA H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 317, 318,
&end
#
# 20 LYS QD 21 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 317, 318,
igr2= 333, 334, 335,
&end
#
# 20 LYS QE 24 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 320, 321,
igr2= 382, 383, 384,
&end
#
# 21 ALA H 21 ALA QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 333, 334, 335,
&end
#
# 21 ALA H 22 PHE H 3.30
&rst
ixpk= 0, nxpk= 0, iat= 329, 339, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 21 ALA H 22 PHE HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 329, 343, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 21 ALA H 22 PHE HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 329, 344, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 21 ALA H 23 ASN H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 329, 359, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 21 ALA H 24 LEU QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 382, 383, 384,
&end
#
# 21 ALA HA 24 LEU H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 331, 373, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 21 ALA HA 24 LEU HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 331, 377, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 21 ALA HA 24 LEU QD1 3.09
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 382, 383, 384,
&end
#
# 21 ALA QB 22 PHE H 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 333, 334, 335,
&end
#
# 21 ALA QB 22 PHE HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 333, 334, 335,
&end
#
# 21 ALA QB 22 PHE HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 333, 334, 335,
&end
#
# 21 ALA QB 22 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 333, 334, 335,
igr2= 347, 355,
&end
#
# 21 ALA QB 23 ASN H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 333, 334, 335,
&end
#
# 21 ALA QB 25 LEU QD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 333, 334, 335,
igr2= 405, 406, 407,
&end
#
# 22 PHE H 22 PHE HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 22 PHE H 22 PHE HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 PHE HA 22 PHE QD 3.07
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 347, 355,
&end
#
# 22 PHE HA 25 LEU HB2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 341, 396, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 22 PHE HA 25 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 405, 406, 407,
&end
#
# 22 PHE HA 26 VAL H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 341, 411, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 PHE HB2 23 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 PHE HB3 23 ASN H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 344, 359, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 22 PHE HB3 23 ASN HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 344, 361, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 22 PHE HZ 26 VAL QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 421, 422, 423,
&end
#
# 22 PHE HZ 54 PHE HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 351, 850, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 PHE HZ 55 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 881, 882, 883,
&end
#
# 22 PHE HZ 57 ALA QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 913, 914, 915,
&end
#
# 22 PHE HZ 58 TYR H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 351, 919, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 22 PHE HZ 58 TYR HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 351, 921, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 22 PHE HZ 58 TYR HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 351, 923, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 22 PHE HZ 58 TYR HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 351, 924, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 22 PHE HZ 58 TYR QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 927, 936,
&end
#
# 22 PHE QD 23 ASN H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 347, 355,
&end
#
# 22 PHE QD 25 LEU QD2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 347, 355,
igr2= 405, 406, 407,
&end
#
# 22 PHE QD 26 VAL HB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 347, 355,
&end
#
# 22 PHE QD 26 VAL QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 347, 355,
igr2= 421, 422, 423,
&end
#
# 22 PHE QD 58 TYR HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 347, 355,
&end
#
# 22 PHE QD 58 TYR HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 347, 355,
&end
#
# 22 PHE QD 58 TYR QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 347, 355,
igr2= 927, 936,
&end
#
# 22 PHE QD 61 LEU QD1 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 347, 355,
igr2= 983, 984, 985,
&end
#
# 22 PHE QE 25 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 349, 353,
igr2= 405, 406, 407,
&end
#
# 22 PHE QE 26 VAL QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 349, 353,
igr2= 421, 422, 423,
&end
#
# 22 PHE QE 54 PHE HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 349, 353,
&end
#
# 22 PHE QE 54 PHE HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 349, 353,
&end
#
# 22 PHE QE 55 ILE QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 349, 353,
igr2= 881, 882, 883,
&end
#
# 22 PHE QE 57 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 349, 353,
igr2= 913, 914, 915,
&end
#
# 22 PHE QE 58 TYR H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 349, 353,
&end
#
# 22 PHE QE 58 TYR HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 349, 353,
&end
#
# 22 PHE QE 58 TYR HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 349, 353,
&end
#
# 22 PHE QE 58 TYR QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 349, 353,
igr2= 927, 936,
&end
#
# 22 PHE QE 58 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 349, 353,
igr2= 929, 934,
&end
#
# 22 PHE QE 61 LEU HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 349, 353,
&end
#
# 22 PHE QE 61 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 349, 353,
igr2= 983, 984, 985,
&end
#
# 23 ASN H 23 ASN HB2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 23 ASN H 23 ASN HB3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 23 ASN H 24 LEU H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 359, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ASN H 24 LEU HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 359, 377, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 23 ASN H 24 LEU HG 4.98
&rst
ixpk= 0, nxpk= 0, iat= 359, 380, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 23 ASN H 24 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 382, 383, 384,
&end
#
# 23 ASN H 26 VAL QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 421, 422, 423,
&end
#
# 23 ASN HA 23 ASN HD21 4.82
&rst
ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 23 ASN HA 23 ASN HD22 4.47
&rst
ixpk= 0, nxpk= 0, iat= 361, 368, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 23 ASN HA 25 LEU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 361, 392, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 23 ASN HA 26 VAL H 3.74
&rst
ixpk= 0, nxpk= 0, iat= 361, 411, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 23 ASN HA 26 VAL HB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 361, 415, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 23 ASN HA 26 VAL QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 421, 422, 423,
&end
#
# 23 ASN HA 27 VAL H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 361, 427, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 23 ASN HB2 24 LEU H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 363, 373, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 23 ASN HB2 24 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HB2 24 LEU HG 4.62
&rst
ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 23 ASN HB2 24 LEU QD2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 386, 387, 388,
&end
#
# 23 ASN HB3 24 LEU H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 364, 373, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 23 ASN HB3 24 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 364, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASN HB3 24 LEU HG 4.94
&rst
ixpk= 0, nxpk= 0, iat= 364, 380, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 23 ASN HB3 24 LEU QD2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 386, 387, 388,
&end
#
# 23 ASN HD22 27 VAL QG1 5.32
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 433, 434, 435,
&end
#
# 24 LEU H 24 LEU HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 24 LEU H 24 LEU HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 24 LEU H 24 LEU HG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 373, 380, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 24 LEU H 24 LEU QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 382, 383, 384,
&end
#
# 24 LEU H 24 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 386, 387, 388,
&end
#
# 24 LEU H 25 LEU H 3.49
&rst
ixpk= 0, nxpk= 0, iat= 373, 392, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 24 LEU H 25 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU H 27 VAL QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 433, 434, 435,
&end
#
# 24 LEU HA 24 LEU HB3 2.72
&rst
ixpk= 0, nxpk= 0, iat= 375, 378, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 24 LEU HA 24 LEU HG 3.63
&rst
ixpk= 0, nxpk= 0, iat= 375, 380, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 24 LEU HA 24 LEU QD2 2.81
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 386, 387, 388,
&end
#
# 24 LEU HA 27 VAL H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 375, 427, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 24 LEU HA 27 VAL QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 433, 434, 435,
&end
#
# 24 LEU HB2 24 LEU QD1 3.06
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 382, 383, 384,
&end
#
# 24 LEU HB2 24 LEU QD2 3.26
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 386, 387, 388,
&end
#
# 24 LEU HB2 25 LEU H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 377, 392, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 24 LEU HB3 24 LEU QD2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 386, 387, 388,
&end
#
# 24 LEU HB3 25 LEU H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 378, 392, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 24 LEU QD1 25 LEU H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 382, 383, 384,
&end
#
# 24 LEU QD2 25 LEU H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 386, 387, 388,
&end
#
# 25 LEU H 25 LEU HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 25 LEU H 25 LEU HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 25 LEU H 25 LEU HG 4.42
&rst
ixpk= 0, nxpk= 0, iat= 392, 399, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 25 LEU H 25 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 401, 402, 403,
&end
#
# 25 LEU H 25 LEU QD2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 405, 406, 407,
&end
#
# 25 LEU H 26 VAL H 3.49
&rst
ixpk= 0, nxpk= 0, iat= 392, 411, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 25 LEU H 26 VAL HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= 392, 413, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 25 LEU H 26 VAL HB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 392, 415, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 25 LEU H 26 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 421, 422, 423,
&end
#
# 25 LEU H 27 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 392, 427, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 25 LEU HA 25 LEU HG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 394, 399, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 25 LEU HA 25 LEU QD1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 401, 402, 403,
&end
#
# 25 LEU HA 25 LEU QD2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 405, 406, 407,
&end
#
# 25 LEU HA 26 VAL HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 394, 413, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 25 LEU HA 28 ARG HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 394, 447, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 LEU HA 29 TYR QD 3.95
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 475, 484,
&end
#
# 25 LEU HB2 25 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 401, 402, 403,
&end
#
# 25 LEU HB2 25 LEU QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 405, 406, 407,
&end
#
# 25 LEU HB2 26 VAL H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 396, 411, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 25 LEU HB2 26 VAL QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 421, 422, 423,
&end
#
# 25 LEU HB3 25 LEU QD1 3.24
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 401, 402, 403,
&end
#
# 25 LEU HB3 25 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 405, 406, 407,
&end
#
# 25 LEU HB3 26 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 397, 411, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 25 LEU HB3 26 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 421, 422, 423,
&end
#
# 25 LEU QD1 28 ARG HD2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 401, 402, 403,
&end
#
# 25 LEU QD1 29 TYR QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 401, 402, 403,
igr2= 475, 484,
&end
#
# 25 LEU QD1 29 TYR QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 401, 402, 403,
igr2= 477, 482,
&end
#
# 25 LEU QD2 26 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 405, 406, 407,
igr2= 421, 422, 423,
&end
#
# 26 VAL H 26 VAL HB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 26 VAL H 26 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 417, 418, 419,
&end
#
# 26 VAL H 26 VAL QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 421, 422, 423,
&end
#
# 26 VAL H 27 VAL H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 411, 427, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 26 VAL HA 26 VAL QG1 3.24
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 417, 418, 419,
&end
#
# 26 VAL HA 26 VAL QG2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 421, 422, 423,
&end
#
# 26 VAL HA 27 VAL HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 413, 429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 VAL HA 30 GLN H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 413, 488, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 26 VAL HA 33 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 550, 551, 552,
&end
#
# 26 VAL HA 54 PHE HZ 4.10
&rst
ixpk= 0, nxpk= 0, iat= 413, 860, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 26 VAL HA 54 PHE QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 856, 864,
&end
#
# 26 VAL HA 54 PHE QE 3.81
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 858, 862,
&end
#
# 26 VAL HB 27 VAL H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 26 VAL QG1 27 VAL H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 27 VAL HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 27 VAL QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 417, 418, 419,
igr2= 433, 434, 435,
&end
#
# 26 VAL QG1 27 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 417, 418, 419,
igr2= 437, 438, 439,
&end
#
# 26 VAL QG1 30 GLN H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 30 GLN HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 30 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 30 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 30 GLN HG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 30 GLN HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 54 PHE HZ 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 54 PHE QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 417, 418, 419,
igr2= 856, 864,
&end
#
# 26 VAL QG1 54 PHE QE 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 417, 418, 419,
igr2= 858, 862,
&end
#
# 26 VAL QG2 27 VAL H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 54 PHE HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 54 PHE HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 54 PHE HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 54 PHE QD 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 421, 422, 423,
igr2= 856, 864,
&end
#
# 27 VAL H 27 VAL HB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 27 VAL H 27 VAL QG1 2.96
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 433, 434, 435,
&end
#
# 27 VAL H 27 VAL QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 437, 438, 439,
&end
#
# 27 VAL H 28 ARG H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 427, 443, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 27 VAL HA 27 VAL QG2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 437, 438, 439,
&end
#
# 27 VAL HA 28 ARG HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 429, 445, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 27 VAL HA 29 TYR H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 429, 467, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 27 VAL HA 30 GLN H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 27 VAL HA 30 GLN HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 429, 492, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 27 VAL HA 30 GLN HE21 4.37
&rst
ixpk= 0, nxpk= 0, iat= 429, 501, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 27 VAL HA 30 GLN HE22 4.71
&rst
ixpk= 0, nxpk= 0, iat= 429, 500, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 27 VAL HA 30 GLN HG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 429, 495, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 27 VAL HB 28 ARG H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 431, 443, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 27 VAL QG1 28 ARG H 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG1 28 ARG HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG1 28 ARG HG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG1 30 GLN H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG1 30 GLN HE22 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG2 28 ARG H 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 437, 438, 439,
&end
#
# 27 VAL QG2 30 GLN HE21 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 437, 438, 439,
&end
#
# 27 VAL QG2 30 GLN HE22 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 437, 438, 439,
&end
#
# 27 VAL QG2 30 GLN HG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 437, 438, 439,
&end
#
# 28 ARG H 28 ARG HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 ARG H 28 ARG HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 443, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 28 ARG H 28 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 443, 450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG H 28 ARG HG3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 443, 451, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 28 ARG HA 28 ARG HD2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 445, 453, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 28 ARG HA 28 ARG HD3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 445, 454, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 28 ARG HA 28 ARG HG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 445, 450, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 28 ARG HA 28 ARG HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 445, 451, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 28 ARG HB2 29 TYR H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 447, 467, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 28 ARG HB3 29 TYR H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 ARG HB3 29 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 448, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG HB3 29 TYR QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 475, 484,
&end
#
# 28 ARG HB3 29 TYR QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 477, 482,
&end
#
# 28 ARG HD2 29 TYR QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 477, 482,
&end
#
# 28 ARG HD3 29 TYR QE 5.25
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 477, 482,
&end
#
# 28 ARG HG3 29 TYR H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 451, 467, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 28 ARG HG3 29 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 475, 484,
&end
#
# 29 TYR H 29 TYR HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 467, 471, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 29 TYR H 29 TYR HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 29 TYR H 29 TYR QD 3.44
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 475, 484,
&end
#
# 29 TYR H 29 TYR QE 4.63
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 477, 482,
&end
#
# 29 TYR H 30 GLN H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 467, 488, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 29 TYR H 30 GLN HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 467, 493, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 29 TYR H 54 PHE HZ 4.57
&rst
ixpk= 0, nxpk= 0, iat= 467, 860, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 29 TYR H 54 PHE QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 858, 862,
&end
#
# 29 TYR H 74 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1209,1210,1211,
&end
#
# 29 TYR HA 29 TYR QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 475, 484,
&end
#
# 29 TYR HA 30 GLN HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 469, 490, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 29 TYR HA 32 LYS HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 469, 532, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 29 TYR HA 32 LYS QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 526, 527,
&end
#
# 29 TYR HA 32 LYS QG 4.96
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 529, 530,
&end
#
# 29 TYR HA 74 LEU QD2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1209,1210,1211,
&end
#
# 29 TYR HB2 30 GLN H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 471, 488, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 29 TYR HB2 32 LYS QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 526, 527,
&end
#
# 29 TYR HB2 33 VAL QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 550, 551, 552,
&end
#
# 29 TYR HB2 54 PHE HZ 3.84
&rst
ixpk= 0, nxpk= 0, iat= 471, 860, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 29 TYR HB2 54 PHE QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 858, 862,
&end
#
# 29 TYR HB2 74 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1209,1210,1211,
&end
#
# 29 TYR HB3 30 GLN H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 TYR HB3 33 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 550, 551, 552,
&end
#
# 29 TYR HB3 54 PHE HZ 3.44
&rst
ixpk= 0, nxpk= 0, iat= 472, 860, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 29 TYR HB3 54 PHE QE 3.62
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 858, 862,
&end
#
# 29 TYR HB3 74 LEU QD1 5.27
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1205,1206,1207,
&end
#
# 29 TYR HB3 74 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1209,1210,1211,
&end
#
# 29 TYR QD 30 GLN H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 475, 484,
&end
#
# 29 TYR QD 32 LYS H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 475, 484,
&end
#
# 29 TYR QD 32 LYS HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 475, 484,
&end
#
# 29 TYR QD 32 LYS QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 475, 484,
igr2= 526, 527,
&end
#
# 29 TYR QD 70 PHE QD 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 475, 484,
igr2=1135,1143,
&end
#
# 29 TYR QD 74 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 475, 484,
igr2=1209,1210,1211,
&end
#
# 29 TYR QE 70 PHE QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 477, 482,
igr2=1135,1143,
&end
#
# 29 TYR QE 71 SER H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 477, 482,
&end
#
# 29 TYR QE 71 SER HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 477, 482,
&end
#
# 29 TYR QE 71 SER HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 477, 482,
&end
#
# 29 TYR QE 74 LEU QD2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 477, 482,
igr2=1209,1210,1211,
&end
#
# 30 GLN H 30 GLN HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 488, 492, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 30 GLN H 30 GLN HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 30 GLN H 30 GLN HG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 488, 495, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 30 GLN H 30 GLN HG3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 488, 496, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 30 GLN H 33 VAL QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 550, 551, 552,
&end
#
# 30 GLN H 54 PHE HZ 4.28
&rst
ixpk= 0, nxpk= 0, iat= 488, 860, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 30 GLN H 54 PHE QE 4.19
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 858, 862,
&end
#
# 30 GLN HA 30 GLN HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 490, 495, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 30 GLN HA 30 GLN HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 496, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 GLN HA 33 VAL QG1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 550, 551, 552,
&end
#
# 30 GLN HA 33 VAL QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 554, 555, 556,
&end
#
# 30 GLN HA 50 VAL QG1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 796, 797, 798,
&end
#
# 30 GLN HA 54 PHE HZ 3.40
&rst
ixpk= 0, nxpk= 0, iat= 490, 860, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 30 GLN HA 54 PHE QE 3.07
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 858, 862,
&end
#
# 30 GLN HB2 30 GLN HE21 4.61
&rst
ixpk= 0, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 30 GLN HB2 33 VAL QG1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 550, 551, 552,
&end
#
# 30 GLN HB2 50 VAL QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 796, 797, 798,
&end
#
# 30 GLN HB2 54 PHE QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 858, 862,
&end
#
# 30 GLN HB3 50 VAL QG1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 796, 797, 798,
&end
#
# 30 GLN HB3 54 PHE HZ 4.86
&rst
ixpk= 0, nxpk= 0, iat= 493, 860, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 30 GLN HB3 54 PHE QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 858, 862,
&end
#
# 30 GLN HG2 30 GLN HE21 3.94
&rst
ixpk= 0, nxpk= 0, iat= 495, 501, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 30 GLN HG2 50 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 796, 797, 798,
&end
#
# 30 GLN HG2 54 PHE QE 5.02
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 858, 862,
&end
#
# 30 GLN HG3 50 VAL QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 796, 797, 798,
&end
#
# 30 GLN HG3 54 PHE QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 858, 862,
&end
#
# 31 HIS H 32 LYS H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 31 HIS HA 32 LYS QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 535, 536,
&end
#
# 31 HIS HA 34 ALA QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 564, 565, 566,
&end
#
# 31 HIS HA 35 SER H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 507, 570, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 31 HIS QB 32 LYS H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 509, 510,
&end
#
# 31 HIS QB 32 LYS HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 509, 510,
&end
#
# 31 HIS QB 34 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 509, 510,
igr2= 564, 565, 566,
&end
#
# 32 LYS H 32 LYS HD2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 32 LYS H 32 LYS HG3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 522, 530, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 32 LYS H 32 LYS QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 526, 527,
&end
#
# 32 LYS H 32 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 535, 536,
&end
#
# 32 LYS H 32 LYS QG 3.99
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 529, 530,
&end
#
# 32 LYS H 33 VAL H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 32 LYS H 33 VAL HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 522, 546, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 32 LYS H 33 VAL QG1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 550, 551, 552,
&end
#
# 32 LYS H 34 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 564, 565, 566,
&end
#
# 32 LYS H 35 SER H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 522, 570, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 32 LYS HA 32 LYS HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 524, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 32 LYS HA 32 LYS HD3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 524, 533, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 32 LYS HA 32 LYS QB 2.88
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 526, 527,
&end
#
# 32 LYS HA 32 LYS QG 3.29
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 529, 530,
&end
#
# 32 LYS HA 35 SER H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 524, 570, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 32 LYS HA 35 SER HB3 3.18
&rst
ixpk= 0, nxpk= 0, iat= 524, 575, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 32 LYS HG2 75 TYR QE 4.29
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1225,1230,
&end
#
# 32 LYS QB 33 VAL H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 526, 527,
&end
#
# 32 LYS QB 35 SER H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 526, 527,
&end
#
# 32 LYS QB 35 SER HB3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 526, 527,
&end
#
# 32 LYS QB 74 LEU QD2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 526, 527,
igr2=1209,1210,1211,
&end
#
# 32 LYS QB 75 TYR QE 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 526, 527,
igr2=1225,1230,
&end
#
# 32 LYS QG 33 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 529, 530,
&end
#
# 32 LYS QG 75 TYR QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 529, 530,
igr2=1225,1230,
&end
#
# 33 VAL H 33 VAL HB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 33 VAL H 33 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 550, 551, 552,
&end
#
# 33 VAL H 33 VAL QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 554, 555, 556,
&end
#
# 33 VAL H 34 ALA H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 544, 560, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 33 VAL H 34 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 564, 565, 566,
&end
#
# 33 VAL H 35 SER H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 544, 570, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 33 VAL H 54 PHE HZ 5.24
&rst
ixpk= 0, nxpk= 0, iat= 544, 860, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 33 VAL H 54 PHE QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 858, 862,
&end
#
# 33 VAL H 74 LEU QD1 5.71
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=1205,1206,1207,
&end
#
# 33 VAL HA 33 VAL QG1 3.12
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 550, 551, 552,
&end
#
# 33 VAL HA 33 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 554, 555, 556,
&end
#
# 33 VAL HA 35 SER H 4.87
&rst
ixpk= 0, nxpk= 0, iat= 546, 570, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 33 VAL HA 36 LEU H 3.92
&rst
ixpk= 0, nxpk= 0, iat= 546, 581, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 33 VAL HA 36 LEU QB 3.41
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 585, 586,
&end
#
# 33 VAL HA 36 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 594, 595, 596,
&end
#
# 33 VAL HA 37 VAL H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 546, 600, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 33 VAL HA 50 VAL QG1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 796, 797, 798,
&end
#
# 33 VAL HA 74 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1205,1206,1207,
&end
#
# 33 VAL HA 75 TYR HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 546,1217, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 33 VAL HA 75 TYR QD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1223,1232,
&end
#
# 33 VAL HA 78 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1283,1284,1285,
&end
#
# 33 VAL HB 34 ALA H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 548, 560, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 33 VAL HB 54 PHE HZ 3.87
&rst
ixpk= 0, nxpk= 0, iat= 548, 860, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 33 VAL HB 54 PHE QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 858, 862,
&end
#
# 33 VAL QG1 34 ALA H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 34 ALA QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 550, 551, 552,
igr2= 564, 565, 566,
&end
#
# 33 VAL QG1 35 SER H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 36 LEU H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 50 VAL HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 50 VAL QG1 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 550, 551, 552,
igr2= 796, 797, 798,
&end
#
# 33 VAL QG1 54 PHE HZ 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 54 PHE QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 550, 551, 552,
igr2= 856, 864,
&end
#
# 33 VAL QG1 54 PHE QE 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 550, 551, 552,
igr2= 858, 862,
&end
#
# 33 VAL QG1 74 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 550, 551, 552,
igr2=1205,1206,1207,
&end
#
# 33 VAL QG2 34 ALA H 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 34 ALA HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 50 VAL HA 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 50 VAL QG1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 554, 555, 556,
igr2= 796, 797, 798,
&end
#
# 33 VAL QG2 54 PHE HZ 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 54 PHE QD 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 554, 555, 556,
igr2= 856, 864,
&end
#
# 33 VAL QG2 54 PHE QE 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 554, 555, 556,
igr2= 858, 862,
&end
#
# 33 VAL QG2 74 LEU HG 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 75 TYR QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 554, 555, 556,
igr2=1223,1232,
&end
#
# 33 VAL QG2 77 ILE QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 554, 555, 556,
igr2=1266,1267,1268,
&end
#
# 33 VAL QG2 78 ALA HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 78 ALA QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 554, 555, 556,
igr2=1283,1284,1285,
&end
#
# 34 ALA H 34 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 564, 565, 566,
&end
#
# 34 ALA H 35 SER H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 560, 570, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 34 ALA H 35 SER HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 560, 574, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 34 ALA H 36 LEU HB2 5.66
&rst
ixpk= 0, nxpk= 0, iat= 560, 585, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 34 ALA H 50 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 796, 797, 798,
&end
#
# 34 ALA HA 36 LEU H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 562, 581, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 34 ALA HA 37 VAL HB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 562, 604, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 34 ALA HA 37 VAL QG1 3.16
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 606, 607, 608,
&end
#
# 34 ALA HA 46 VAL QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 742, 743, 744,
&end
#
# 34 ALA HA 50 VAL HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 562, 792, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 34 ALA HA 50 VAL QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 796, 797, 798,
&end
#
# 34 ALA QB 35 SER H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 35 SER HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 35 SER HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 46 VAL QG1 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 564, 565, 566,
igr2= 738, 739, 740,
&end
#
# 34 ALA QB 46 VAL QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 564, 565, 566,
igr2= 742, 743, 744,
&end
#
# 34 ALA QB 50 VAL QG1 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 564, 565, 566,
igr2= 796, 797, 798,
&end
#
# 35 SER H 35 SER HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 570, 574, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 35 SER H 35 SER HB3 3.13
&rst
ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 35 SER H 36 LEU H 3.42
&rst
ixpk= 0, nxpk= 0, iat= 570, 581, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 35 SER H 36 LEU HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 570, 585, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 35 SER H 37 VAL H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 570, 600, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 35 SER HA 35 SER HB2 2.65
&rst
ixpk= 0, nxpk= 0, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 35 SER HA 35 SER HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 572, 575, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 SER HA 38 SER H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 572, 616, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 35 SER HB2 36 LEU H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 35 SER HB3 36 LEU H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 36 LEU H 36 LEU HB2 3.08
&rst
ixpk= 0, nxpk= 0, iat= 581, 585, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 36 LEU H 36 LEU QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 585, 586,
&end
#
# 36 LEU H 36 LEU QD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 594, 595, 596,
&end
#
# 36 LEU H 37 VAL H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 581, 600, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 36 LEU H 37 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 606, 607, 608,
&end
#
# 36 LEU H 38 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 581, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 36 LEU H 78 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1283,1284,1285,
&end
#
# 36 LEU HA 36 LEU QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 585, 586,
&end
#
# 36 LEU HB2 37 VAL H 3.63
&rst
ixpk= 0, nxpk= 0, iat= 585, 600, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 36 LEU HG 37 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 588, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LEU QB 36 LEU HG 2.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr1= 585, 586,
&end
#
# 36 LEU QB 36 LEU QD2 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 585, 586,
igr2= 594, 595, 596,
&end
#
# 36 LEU QB 37 VAL H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 585, 586,
&end
#
# 36 LEU QB 37 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 585, 586,
&end
#
# 36 LEU QB 37 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 585, 586,
igr2= 606, 607, 608,
&end
#
# 36 LEU QB 78 ALA QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 585, 586,
igr2=1283,1284,1285,
&end
#
# 36 LEU QB 79 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 585, 586,
igr2=1295,1296,1297,
&end
#
# 36 LEU QD2 37 VAL H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 37 VAL HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 75 TYR QB 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 594, 595, 596,
igr2=1219,1220,
&end
#
# 36 LEU QD2 75 TYR QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 594, 595, 596,
igr2=1223,1232,
&end
#
# 36 LEU QD2 76 ARG HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 78 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 594, 595, 596,
igr2=1283,1284,1285,
&end
#
# 36 LEU QD2 79 VAL H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 79 VAL HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 79 VAL HB 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 79 VAL QG1 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 594, 595, 596,
igr2=1295,1296,1297,
&end
#
# 37 VAL H 37 VAL HB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 37 VAL H 37 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 606, 607, 608,
&end
#
# 37 VAL H 37 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 610, 611, 612,
&end
#
# 37 VAL H 38 SER H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 600, 616, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 37 VAL H 39 ARG H 4.87
&rst
ixpk= 0, nxpk= 0, iat= 600, 627, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 37 VAL H 82 ALA QB 5.51
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1337,1338,1339,
&end
#
# 37 VAL HA 37 VAL QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 606, 607, 608,
&end
#
# 37 VAL HA 37 VAL QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 610, 611, 612,
&end
#
# 37 VAL HA 39 ARG H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 602, 627, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 37 VAL HA 40 TYR H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 602, 651, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 37 VAL HA 40 TYR HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 602, 655, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 37 VAL HA 40 TYR QD 3.11
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 659, 668,
&end
#
# 37 VAL HB 38 SER H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 604, 616, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 37 VAL HB 49 VAL QG1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 780, 781, 782,
&end
#
# 37 VAL HB 78 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1283,1284,1285,
&end
#
# 37 VAL QG1 38 SER H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 38 SER HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 39 ARG H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 40 TYR QD 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 606, 607, 608,
igr2= 659, 668,
&end
#
# 37 VAL QG1 49 VAL HB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 49 VAL QG1 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 606, 607, 608,
igr2= 780, 781, 782,
&end
#
# 37 VAL QG1 49 VAL QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 606, 607, 608,
igr2= 784, 785, 786,
&end
#
# 37 VAL QG1 50 VAL H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 50 VAL HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 78 ALA QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 606, 607, 608,
igr2=1283,1284,1285,
&end
#
# 37 VAL QG1 82 ALA QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 606, 607, 608,
igr2=1337,1338,1339,
&end
#
# 37 VAL QG2 38 SER H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 40 TYR QD 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 610, 611, 612,
igr2= 659, 668,
&end
#
# 37 VAL QG2 49 VAL HB 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 49 VAL QG1 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 610, 611, 612,
igr2= 780, 781, 782,
&end
#
# 37 VAL QG2 49 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 610, 611, 612,
igr2= 784, 785, 786,
&end
#
# 37 VAL QG2 78 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 610, 611, 612,
igr2=1283,1284,1285,
&end
#
# 37 VAL QG2 79 VAL HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 82 ALA H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 82 ALA QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 610, 611, 612,
igr2=1337,1338,1339,
&end
#
# 38 SER H 38 SER HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 38 SER H 38 SER HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 38 SER H 39 ARG H 3.81
&rst
ixpk= 0, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 38 SER H 46 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 738, 739, 740,
&end
#
# 38 SER HA 40 TYR H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 618, 651, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 38 SER HA 41 VAL H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 618, 672, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 38 SER HA 41 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 618, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 SER HA 41 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 682, 683, 684,
&end
#
# 38 SER HA 42 PRO HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 618, 698, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 38 SER HA 46 VAL QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 738, 739, 740,
&end
#
# 38 SER HB3 46 VAL QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 738, 739, 740,
&end
#
# 39 ARG H 39 ARG HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 39 ARG H 39 ARG HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 39 ARG H 39 ARG HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 627, 634, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 39 ARG H 39 ARG HG3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 627, 635, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 39 ARG H 39 ARG QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 637, 638,
&end
#
# 39 ARG H 40 TYR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 627, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ARG H 40 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 627, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ARG H 40 TYR QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 659, 668,
&end
#
# 39 ARG H 41 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 627, 672, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 39 ARG HA 39 ARG HB2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 629, 631, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 39 ARG HA 39 ARG HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 629, 634, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 39 ARG HA 39 ARG HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 629, 635, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 39 ARG HA 39 ARG QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 637, 638,
&end
#
# 39 ARG HA 41 VAL H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 629, 672, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 39 ARG HB2 40 TYR H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 631, 651, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 39 ARG HB2 40 TYR QD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 659, 668,
&end
#
# 39 ARG HB2 40 TYR QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 661, 666,
&end
#
# 39 ARG HB3 39 ARG QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 637, 638,
&end
#
# 39 ARG HB3 40 TYR H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 632, 651, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 39 ARG HB3 40 TYR QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 659, 668,
&end
#
# 39 ARG HB3 40 TYR QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 661, 666,
&end
#
# 39 ARG HG3 39 ARG QD 3.01
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 637, 638,
&end
#
# 39 ARG HG3 40 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 659, 668,
&end
#
# 39 ARG HG3 40 TYR QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 661, 666,
&end
#
# 39 ARG QD 40 TYR QD 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 637, 638,
igr2= 659, 668,
&end
#
# 39 ARG QD 40 TYR QE 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 637, 638,
igr2= 661, 666,
&end
#
# 40 TYR H 40 TYR HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 651, 655, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 40 TYR H 40 TYR HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 40 TYR H 40 TYR QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 659, 668,
&end
#
# 40 TYR H 40 TYR QE 5.29
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 661, 666,
&end
#
# 40 TYR H 41 VAL H 3.32
&rst
ixpk= 0, nxpk= 0, iat= 651, 672, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 40 TYR H 41 VAL QG1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 678, 679, 680,
&end
#
# 40 TYR HA 40 TYR QD 3.24
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 659, 668,
&end
#
# 40 TYR HA 40 TYR QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 661, 666,
&end
#
# 40 TYR HA 86 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1409,1410,1411,
&end
#
# 40 TYR HA 86 LEU QD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1413,1414,1415,
&end
#
# 40 TYR HB2 41 VAL H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 655, 672, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 40 TYR HB2 41 VAL QG1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 678, 679, 680,
&end
#
# 40 TYR HB2 41 VAL QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 682, 683, 684,
&end
#
# 40 TYR HB2 82 ALA HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 655,1335, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 40 TYR HB2 82 ALA QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1337,1338,1339,
&end
#
# 40 TYR HB2 86 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1409,1410,1411,
&end
#
# 40 TYR HB3 41 VAL H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 656, 672, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 40 TYR HB3 41 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 678, 679, 680,
&end
#
# 40 TYR HB3 82 ALA QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1337,1338,1339,
&end
#
# 40 TYR HB3 86 LEU QD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1413,1414,1415,
&end
#
# 40 TYR QD 79 VAL HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 659, 668,
&end
#
# 40 TYR QD 79 VAL QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 659, 668,
igr2=1299,1300,1301,
&end
#
# 40 TYR QD 82 ALA QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 659, 668,
igr2=1337,1338,1339,
&end
#
# 40 TYR QD 83 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 659, 668,
&end
#
# 40 TYR QD 86 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 659, 668,
igr2=1409,1410,1411,
&end
#
# 40 TYR QE 79 VAL HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 661, 666,
&end
#
# 40 TYR QE 79 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 661, 666,
igr2=1295,1296,1297,
&end
#
# 40 TYR QE 79 VAL QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 661, 666,
igr2=1299,1300,1301,
&end
#
# 40 TYR QE 82 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 661, 666,
igr2=1337,1338,1339,
&end
#
# 40 TYR QE 83 LYS HE2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 661, 666,
&end
#
# 40 TYR QE 83 LYS QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 661, 666,
igr2=1353,1354,
&end
#
# 41 VAL H 41 VAL HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 672, 676, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 VAL H 41 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 678, 679, 680,
&end
#
# 41 VAL H 41 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 682, 683, 684,
&end
#
# 41 VAL H 42 PRO QD 5.19
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 689, 690,
&end
#
# 41 VAL H 82 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1337,1338,1339,
&end
#
# 41 VAL H 86 LEU QD2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1413,1414,1415,
&end
#
# 41 VAL HA 41 VAL QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 678, 679, 680,
&end
#
# 41 VAL HA 41 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 682, 683, 684,
&end
#
# 41 VAL HA 42 PRO HG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 674, 692, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 41 VAL HA 42 PRO HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 674, 693, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 41 VAL HA 42 PRO QD 3.20
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 689, 690,
&end
#
# 41 VAL HA 49 VAL QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 784, 785, 786,
&end
#
# 41 VAL HA 86 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1413,1414,1415,
&end
#
# 41 VAL QG1 45 ASP HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 49 VAL HB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 49 VAL QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 678, 679, 680,
igr2= 784, 785, 786,
&end
#
# 41 VAL QG1 82 ALA HA 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 85 TYR H 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 85 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 85 TYR HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 85 TYR QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 678, 679, 680,
igr2=1387,1396,
&end
#
# 41 VAL QG1 85 TYR QE 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 678, 679, 680,
igr2=1389,1394,
&end
#
# 41 VAL QG1 86 LEU H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 86 LEU HG 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 86 LEU QD2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 678, 679, 680,
igr2=1413,1414,1415,
&end
#
# 41 VAL QG2 42 PRO HG2 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 42 PRO QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 682, 683, 684,
igr2= 689, 690,
&end
#
# 41 VAL QG2 45 ASP H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 45 ASP HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 45 ASP HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 45 ASP HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 46 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 46 VAL HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 46 VAL QG1 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 682, 683, 684,
igr2= 738, 739, 740,
&end
#
# 41 VAL QG2 49 VAL HB 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 49 VAL QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 682, 683, 684,
igr2= 784, 785, 786,
&end
#
# 41 VAL QG2 82 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 682, 683, 684,
igr2=1337,1338,1339,
&end
#
# 41 VAL QG2 85 TYR QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 682, 683, 684,
igr2=1387,1396,
&end
#
# 41 VAL QG2 85 TYR QE 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 682, 683, 684,
igr2=1389,1394,
&end
#
# 41 VAL QG2 86 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 682, 683, 684,
igr2=1413,1414,1415,
&end
#
# 42 PRO HA 43 SER H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 42 PRO HB2 43 SER H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 42 PRO HB2 44 GLY H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 695, 713, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 42 PRO HB3 43 SER H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 696, 702, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 42 PRO QD 86 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 689, 690,
igr2=1413,1414,1415,
&end
#
# 43 SER H 43 SER HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 702, 707, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 43 SER H 44 GLY H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 702, 713, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 43 SER H 46 VAL QG1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 738, 739, 740,
&end
#
# 43 SER H 46 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 43 SER HA 43 SER HB3 2.64
&rst
ixpk= 0, nxpk= 0, iat= 704, 707, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 43 SER HA 46 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 704, 732, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 43 SER HA 46 VAL HB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 704, 736, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 43 SER HA 46 VAL QG1 3.13
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 738, 739, 740,
&end
#
# 43 SER HA 46 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 742, 743, 744,
&end
#
# 44 GLY H 45 ASP H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 713, 720, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 GLY HA3 46 VAL H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 716, 732, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 45 ASP H 45 ASP HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 45 ASP H 45 ASP HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 720, 725, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 45 ASP H 46 VAL H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 720, 732, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 45 ASP H 46 VAL HB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 720, 736, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 45 ASP H 46 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 738, 739, 740,
&end
#
# 45 ASP HA 47 PRO HD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 722, 749, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 45 ASP HA 47 PRO HD3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 722, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 45 ASP HA 48 ASP H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 722, 762, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 45 ASP HA 48 ASP HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 722, 766, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 45 ASP HA 49 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 784, 785, 786,
&end
#
# 45 ASP HB2 46 VAL H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 724, 732, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 45 ASP HB2 46 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 738, 739, 740,
&end
#
# 45 ASP HB2 49 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 784, 785, 786,
&end
#
# 45 ASP HB2 85 TYR QD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1387,1396,
&end
#
# 45 ASP HB2 85 TYR QE 3.31
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1389,1394,
&end
#
# 45 ASP HB3 49 VAL QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 784, 785, 786,
&end
#
# 45 ASP HB3 85 TYR QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1389,1394,
&end
#
# 46 VAL H 46 VAL HB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 732, 736, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 46 VAL H 46 VAL QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 738, 739, 740,
&end
#
# 46 VAL H 46 VAL QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 742, 743, 744,
&end
#
# 46 VAL H 47 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 732, 749, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 VAL H 47 PRO HD3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 732, 750, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 46 VAL H 47 PRO HG3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 732, 753, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 46 VAL H 49 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 784, 785, 786,
&end
#
# 46 VAL HA 46 VAL QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 738, 739, 740,
&end
#
# 46 VAL HA 46 VAL QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 742, 743, 744,
&end
#
# 46 VAL HA 49 VAL H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 734, 774, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 46 VAL HA 49 VAL HB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 734, 778, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 46 VAL HA 49 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 784, 785, 786,
&end
#
# 46 VAL HA 50 VAL H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 734, 790, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 46 VAL HB 47 PRO HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 736, 749, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 46 VAL HB 47 PRO HD3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 736, 750, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 46 VAL QG1 47 PRO HD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 738, 739, 740,
&end
#
# 46 VAL QG1 47 PRO HD3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 738, 739, 740,
&end
#
# 46 VAL QG2 47 PRO HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 742, 743, 744,
&end
#
# 46 VAL QG2 47 PRO HD2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 742, 743, 744,
&end
#
# 46 VAL QG2 47 PRO HD3 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 742, 743, 744,
&end
#
# 46 VAL QG2 50 VAL H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 742, 743, 744,
&end
#
# 47 PRO HA 49 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 758, 774, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 47 PRO HA 50 VAL H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 758, 790, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 47 PRO HA 50 VAL HB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 758, 794, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 47 PRO HA 50 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 796, 797, 798,
&end
#
# 47 PRO HA 51 GLN H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 758, 806, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 47 PRO HB2 48 ASP H 3.82
&rst
ixpk= 0, nxpk= 0, iat= 755, 762, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 47 PRO HD2 48 ASP H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 749, 762, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 47 PRO HD3 48 ASP H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 750, 762, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 47 PRO HG3 48 ASP H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 753, 762, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 47 PRO QG 48 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 752, 753,
&end
#
# 48 ASP H 48 ASP HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 762, 766, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 48 ASP H 48 ASP HB3 3.09
&rst
ixpk= 0, nxpk= 0, iat= 762, 767, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 48 ASP H 49 VAL H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 762, 774, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 48 ASP H 49 VAL QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 784, 785, 786,
&end
#
# 48 ASP H 50 VAL H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 762, 790, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 48 ASP HA 48 ASP HB3 2.96
&rst
ixpk= 0, nxpk= 0, iat= 764, 767, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 48 ASP HA 49 VAL QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 784, 785, 786,
&end
#
# 48 ASP HA 50 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 764, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ASP HA 51 GLN H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 764, 806, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 48 ASP HA 51 GLN QB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 810, 811,
&end
#
# 48 ASP HA 52 GLU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 764, 823, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 48 ASP HB2 49 VAL H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 766, 774, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 ASP HB2 49 VAL QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 784, 785, 786,
&end
#
# 48 ASP HB3 49 VAL H 3.69
&rst
ixpk= 0, nxpk= 0, iat= 767, 774, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 48 ASP HB3 49 VAL HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 767, 776, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 48 ASP HB3 49 VAL QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 784, 785, 786,
&end
#
# 48 ASP HB3 85 TYR QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1389,1394,
&end
#
# 49 VAL H 49 VAL HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 VAL H 49 VAL QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 780, 781, 782,
&end
#
# 49 VAL H 49 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 784, 785, 786,
&end
#
# 49 VAL H 50 VAL H 3.41
&rst
ixpk= 0, nxpk= 0, iat= 774, 790, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 49 VAL H 50 VAL HB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 774, 794, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 49 VAL H 50 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 800, 801, 802,
&end
#
# 49 VAL HA 49 VAL QG1 3.41
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 780, 781, 782,
&end
#
# 49 VAL HA 49 VAL QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 784, 785, 786,
&end
#
# 49 VAL HA 51 GLN H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 776, 806, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 49 VAL HA 52 GLU H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 776, 823, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 49 VAL HA 52 GLU HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 776, 827, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 49 VAL HA 52 GLU HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 776, 828, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 49 VAL HA 53 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 776, 838, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 49 VAL HA 81 THR QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1325,1326,1327,
&end
#
# 49 VAL HB 50 VAL H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 778, 790, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 VAL HB 81 THR QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1325,1326,1327,
&end
#
# 49 VAL QG1 50 VAL H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 50 VAL HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 51 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 52 GLU HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 53 ALA H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 53 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 780, 781, 782,
igr2= 842, 843, 844,
&end
#
# 49 VAL QG1 81 THR HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 81 THR HB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 81 THR QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 780, 781, 782,
igr2=1325,1326,1327,
&end
#
# 49 VAL QG1 82 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 82 ALA HA 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 82 ALA QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 780, 781, 782,
igr2=1337,1338,1339,
&end
#
# 49 VAL QG1 85 TYR HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 85 TYR HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 85 TYR QD 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 780, 781, 782,
igr2=1387,1396,
&end
#
# 49 VAL QG1 85 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 780, 781, 782,
igr2=1389,1394,
&end
#
# 49 VAL QG2 50 VAL H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 81 THR QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 784, 785, 786,
igr2=1325,1326,1327,
&end
#
# 49 VAL QG2 82 ALA HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 82 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 784, 785, 786,
igr2=1337,1338,1339,
&end
#
# 49 VAL QG2 85 TYR H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 85 TYR HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 85 TYR HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 85 TYR HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 85 TYR QD 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 784, 785, 786,
igr2=1387,1396,
&end
#
# 49 VAL QG2 85 TYR QE 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 784, 785, 786,
igr2=1389,1394,
&end
#
# 50 VAL H 50 VAL HB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 790, 794, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 50 VAL H 50 VAL QG1 3.72
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 796, 797, 798,
&end
#
# 50 VAL H 50 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 800, 801, 802,
&end
#
# 50 VAL H 51 GLN H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 790, 806, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 50 VAL H 51 GLN QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 810, 811,
&end
#
# 50 VAL HA 50 VAL QG1 3.17
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 796, 797, 798,
&end
#
# 50 VAL HA 50 VAL QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 800, 801, 802,
&end
#
# 50 VAL HA 52 GLU H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 792, 823, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 50 VAL HA 53 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 792, 838, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 50 VAL HA 53 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 842, 843, 844,
&end
#
# 50 VAL HA 54 PHE QD 5.10
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 856, 864,
&end
#
# 50 VAL HA 54 PHE QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 858, 862,
&end
#
# 50 VAL HB 51 GLN H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 794, 806, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 50 VAL HB 54 PHE QD 5.28
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 856, 864,
&end
#
# 50 VAL QG1 51 GLN H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 796, 797, 798,
&end
#
# 50 VAL QG1 51 GLN HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 796, 797, 798,
&end
#
# 50 VAL QG1 51 GLN QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 796, 797, 798,
igr2= 810, 811,
&end
#
# 50 VAL QG1 54 PHE QD 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 796, 797, 798,
igr2= 856, 864,
&end
#
# 50 VAL QG1 54 PHE QE 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 796, 797, 798,
igr2= 858, 862,
&end
#
# 50 VAL QG2 51 GLN H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 800, 801, 802,
&end
#
# 51 GLN H 51 GLN HB3 2.92
&rst
ixpk= 0, nxpk= 0, iat= 806, 811, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 51 GLN H 51 GLN QB 3.09
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 810, 811,
&end
#
# 51 GLN H 51 GLN QG 3.81
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 813, 814,
&end
#
# 51 GLN H 52 GLU H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 806, 823, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 51 GLN H 52 GLU HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 806, 827, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 51 GLN H 52 GLU HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 806, 828, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 51 GLN HA 51 GLN QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 810, 811,
&end
#
# 51 GLN HA 51 GLN QG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 813, 814,
&end
#
# 51 GLN HA 54 PHE H 3.87
&rst
ixpk= 0, nxpk= 0, iat= 808, 848, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 51 GLN HA 54 PHE HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 808, 853, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 51 GLN HA 54 PHE QD 3.94
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 856, 864,
&end
#
# 51 GLN HA 54 PHE QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 858, 862,
&end
#
# 51 GLN HA 55 ILE H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 808, 868, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 51 GLN HA 55 ILE QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 881, 882, 883,
&end
#
# 51 GLN HB2 51 GLN HE21 4.76
&rst
ixpk= 0, nxpk= 0, iat= 810, 819, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 51 GLN HB3 52 GLU H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 811, 823, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 GLN HE21 55 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 881, 882, 883,
&end
#
# 51 GLN HE22 55 ILE QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 881, 882, 883,
&end
#
# 51 GLN QB 51 GLN QG 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 810, 811,
igr2= 813, 814,
&end
#
# 51 GLN QB 52 GLU H 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 810, 811,
&end
#
# 51 GLN QG 51 GLN HE21 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 813, 814,
&end
#
# 51 GLN QG 52 GLU H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 813, 814,
&end
#
# 51 GLN QG 55 ILE HG12 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 813, 814,
&end
#
# 51 GLN QG 55 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 813, 814,
igr2= 881, 882, 883,
&end
#
# 52 GLU H 52 GLU HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 823, 827, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 52 GLU H 52 GLU HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 52 GLU H 53 ALA H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLU H 53 ALA QB 4.32
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 842, 843, 844,
&end
#
# 52 GLU HB2 53 ALA H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 827, 838, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 52 GLU HB2 81 THR QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1325,1326,1327,
&end
#
# 52 GLU HB3 53 ALA H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 52 GLU HB3 81 THR QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1325,1326,1327,
&end
#
# 53 ALA H 53 ALA QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 842, 843, 844,
&end
#
# 53 ALA H 54 PHE H 3.66
&rst
ixpk= 0, nxpk= 0, iat= 838, 848, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 53 ALA H 81 THR QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1325,1326,1327,
&end
#
# 53 ALA HA 54 PHE HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 840, 850, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 53 ALA HA 56 LYS H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 840, 887, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 53 ALA HA 56 LYS HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 840, 891, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 53 ALA HA 56 LYS HD3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 840, 898, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 53 ALA HA 77 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1266,1267,1268,
&end
#
# 53 ALA HA 78 ALA HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 840,1281, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 53 ALA HA 78 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1283,1284,1285,
&end
#
# 53 ALA QB 54 PHE H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 54 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 54 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 54 PHE QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 842, 843, 844,
igr2= 856, 864,
&end
#
# 53 ALA QB 55 ILE H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 56 LYS HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 57 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 74 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 842, 843, 844,
igr2=1205,1206,1207,
&end
#
# 53 ALA QB 77 ILE HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 77 ILE QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 842, 843, 844,
igr2=1266,1267,1268,
&end
#
# 53 ALA QB 78 ALA H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 78 ALA HA 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 78 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 842, 843, 844,
igr2=1283,1284,1285,
&end
#
# 53 ALA QB 81 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 81 THR HB 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 82 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 842, 843, 844,
igr2=1337,1338,1339,
&end
#
# 54 PHE H 54 PHE HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 848, 852, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 54 PHE H 54 PHE HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 848, 853, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 54 PHE H 54 PHE QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 856, 864,
&end
#
# 54 PHE H 54 PHE QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 858, 862,
&end
#
# 54 PHE H 55 ILE H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 848, 868, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 54 PHE H 55 ILE HB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 848, 872, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 54 PHE H 56 LYS H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 848, 887, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 54 PHE H 57 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&end
#
# 54 PHE HA 54 PHE QD 3.03
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 856, 864,
&end
#
# 54 PHE HA 54 PHE QE 4.64
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 858, 862,
&end
#
# 54 PHE HA 56 LYS H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 850, 887, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 54 PHE HA 57 ALA H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 850, 909, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 54 PHE HA 57 ALA QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 913, 914, 915,
&end
#
# 54 PHE HA 58 TYR H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 850, 919, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 54 PHE HA 74 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1205,1206,1207,
&end
#
# 54 PHE HB2 55 ILE H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 852, 868, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 54 PHE HB2 57 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 913, 914, 915,
&end
#
# 54 PHE HB2 74 LEU QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1205,1206,1207,
&end
#
# 54 PHE HB3 55 ILE H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 853, 868, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 54 PHE HB3 55 ILE QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 881, 882, 883,
&end
#
# 54 PHE HZ 74 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1205,1206,1207,
&end
#
# 54 PHE HZ 74 LEU QD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1209,1210,1211,
&end
#
# 54 PHE QD 55 ILE H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 856, 864,
&end
#
# 54 PHE QD 57 ALA QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 856, 864,
igr2= 913, 914, 915,
&end
#
# 54 PHE QD 74 LEU QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 856, 864,
igr2=1205,1206,1207,
&end
#
# 54 PHE QE 57 ALA QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 858, 862,
igr2= 913, 914, 915,
&end
#
# 54 PHE QE 74 LEU QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 858, 862,
igr2=1205,1206,1207,
&end
#
# 54 PHE QE 74 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 858, 862,
igr2=1209,1210,1211,
&end
#
# 55 ILE H 55 ILE HB 3.24
&rst
ixpk= 0, nxpk= 0, iat= 868, 872, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 55 ILE H 55 ILE HG12 3.57
&rst
ixpk= 0, nxpk= 0, iat= 868, 878, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 55 ILE H 55 ILE HG13 3.99
&rst
ixpk= 0, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 55 ILE H 55 ILE QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 881, 882, 883,
&end
#
# 55 ILE H 55 ILE QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 874, 875, 876,
&end
#
# 55 ILE H 56 LYS H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 868, 887, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 55 ILE H 56 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 868, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE H 57 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 913, 914, 915,
&end
#
# 55 ILE HA 55 ILE HG12 3.70
&rst
ixpk= 0, nxpk= 0, iat= 870, 878, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 ILE HA 55 ILE HG13 3.60
&rst
ixpk= 0, nxpk= 0, iat= 870, 879, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 55 ILE HA 55 ILE QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 881, 882, 883,
&end
#
# 55 ILE HA 55 ILE QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 874, 875, 876,
&end
#
# 55 ILE HA 58 TYR H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 870, 919, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 55 ILE HA 58 TYR HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 870, 923, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 ILE HA 58 TYR HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 870, 924, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 55 ILE HA 58 TYR QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 927, 936,
&end
#
# 55 ILE HB 55 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 881, 882, 883,
&end
#
# 55 ILE HB 56 LYS H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 872, 887, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 55 ILE HG12 56 LYS H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 878, 887, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 55 ILE QD1 56 LYS H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 881, 882, 883,
&end
#
# 55 ILE QD1 57 ALA QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 881, 882, 883,
igr2= 913, 914, 915,
&end
#
# 55 ILE QD1 58 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 881, 882, 883,
&end
#
# 55 ILE QD1 58 TYR HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 881, 882, 883,
&end
#
# 55 ILE QD1 58 TYR QD 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 881, 882, 883,
igr2= 927, 936,
&end
#
# 55 ILE QG2 55 ILE HG12 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 55 ILE HG13 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 55 ILE QD1 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 874, 875, 876,
igr2= 881, 882, 883,
&end
#
# 55 ILE QG2 56 LYS H 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 56 LYS HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 56 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 56 LYS HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 56 LYS HG3 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 58 TYR HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 58 TYR QD 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 874, 875, 876,
igr2= 927, 936,
&end
#
# 55 ILE QG2 59 ARG H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 59 ARG HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 59 ARG HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 59 ARG QD 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 874, 875, 876,
igr2= 950, 951,
&end
#
# 56 LYS H 56 LYS HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 56 LYS H 56 LYS HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 56 LYS H 56 LYS HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 887, 897, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 56 LYS H 56 LYS HD3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 887, 898, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 56 LYS H 56 LYS HG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 887, 894, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 56 LYS H 56 LYS HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 887, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 56 LYS H 56 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 900, 901,
&end
#
# 56 LYS H 77 ILE QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1266,1267,1268,
&end
#
# 56 LYS HA 56 LYS HB3 2.89
&rst
ixpk= 0, nxpk= 0, iat= 889, 892, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 56 LYS HA 56 LYS HG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 889, 894, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 56 LYS HA 56 LYS HG3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 889, 895, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 56 LYS HA 56 LYS QE 5.48
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 900, 901,
&end
#
# 56 LYS HA 59 ARG H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 889, 940, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 56 LYS HA 60 ALA H 4.82
&rst
ixpk= 0, nxpk= 0, iat= 889, 964, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 56 LYS HA 77 ILE QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1266,1267,1268,
&end
#
# 56 LYS HB2 56 LYS HD2 2.59
&rst
ixpk= 0, nxpk= 0, iat= 891, 897, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 56 LYS HB2 56 LYS HG2 2.88
&rst
ixpk= 0, nxpk= 0, iat= 891, 894, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 56 LYS HB2 56 LYS QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 900, 901,
&end
#
# 56 LYS HB2 57 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 891, 909, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 LYS HB2 77 ILE QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1266,1267,1268,
&end
#
# 56 LYS HB3 56 LYS HD2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 892, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 LYS HB3 56 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 900, 901,
&end
#
# 56 LYS HB3 77 ILE QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1266,1267,1268,
&end
#
# 56 LYS HD2 77 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1266,1267,1268,
&end
#
# 56 LYS HD2 81 THR QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1325,1326,1327,
&end
#
# 56 LYS HD3 56 LYS QE 2.74
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 900, 901,
&end
#
# 56 LYS HD3 77 ILE QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1266,1267,1268,
&end
#
# 56 LYS HD3 81 THR QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1325,1326,1327,
&end
#
# 56 LYS HG2 56 LYS QE 3.83
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 900, 901,
&end
#
# 56 LYS HG2 77 ILE QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1266,1267,1268,
&end
#
# 56 LYS HG3 56 LYS QE 3.57
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 900, 901,
&end
#
# 56 LYS HG3 57 ALA H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 895, 909, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 56 LYS HG3 77 ILE QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1266,1267,1268,
&end
#
# 56 LYS QE 77 ILE QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 900, 901,
igr2=1266,1267,1268,
&end
#
# 56 LYS QE 81 THR HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 900, 901,
&end
#
# 56 LYS QE 81 THR QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 900, 901,
igr2=1325,1326,1327,
&end
#
# 57 ALA H 57 ALA QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 913, 914, 915,
&end
#
# 57 ALA H 58 TYR HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 909, 923, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 57 ALA H 74 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1205,1206,1207,
&end
#
# 57 ALA H 77 ILE QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1273,1274,1275,
&end
#
# 57 ALA H 77 ILE QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1266,1267,1268,
&end
#
# 57 ALA HA 60 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 911, 964, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 57 ALA HA 60 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 968, 969, 970,
&end
#
# 57 ALA HA 73 TRP HZ2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 911,1185, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 57 ALA HA 73 TRP HZ3 4.44
&rst
ixpk= 0, nxpk= 0, iat= 911,1189, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 57 ALA HA 74 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1205,1206,1207,
&end
#
# 57 ALA HA 77 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1273,1274,1275,
&end
#
# 57 ALA HA 77 ILE QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1266,1267,1268,
&end
#
# 57 ALA QB 58 TYR H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 58 TYR HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 58 TYR HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 61 LEU HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 73 TRP HZ3 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 74 LEU HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 74 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 913, 914, 915,
igr2=1205,1206,1207,
&end
#
# 57 ALA QB 77 ILE QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 913, 914, 915,
igr2=1273,1274,1275,
&end
#
# 57 ALA QB 77 ILE QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 913, 914, 915,
igr2=1266,1267,1268,
&end
#
# 58 TYR H 58 TYR HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 919, 923, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 TYR H 58 TYR HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat= 919, 924, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 58 TYR H 58 TYR QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 927, 936,
&end
#
# 58 TYR H 59 ARG H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 919, 940, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 58 TYR H 60 ALA H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 919, 964, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 58 TYR H 61 LEU HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 919, 978, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 58 TYR HA 58 TYR QD 3.28
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 927, 936,
&end
#
# 58 TYR HA 58 TYR QE 4.70
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 929, 934,
&end
#
# 58 TYR HA 60 ALA H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 921, 964, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 58 TYR HA 61 LEU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 921, 974, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 58 TYR HA 61 LEU HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 921, 978, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 58 TYR HA 61 LEU HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 921, 979, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 58 TYR HA 61 LEU HG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 921, 981, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 TYR HA 61 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 983, 984, 985,
&end
#
# 58 TYR HB2 59 ARG H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 923, 940, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 58 TYR HB3 59 ARG H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 924, 940, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 58 TYR HB3 59 ARG QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 950, 951,
&end
#
# 58 TYR QD 59 ARG H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 927, 936,
&end
#
# 58 TYR QD 59 ARG HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 927, 936,
&end
#
# 58 TYR QD 59 ARG HG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 927, 936,
&end
#
# 58 TYR QD 59 ARG HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 927, 936,
&end
#
# 58 TYR QD 61 LEU HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 927, 936,
&end
#
# 58 TYR QE 59 ARG H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 929, 934,
&end
#
# 58 TYR QE 59 ARG HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 929, 934,
&end
#
# 58 TYR QE 59 ARG HG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 929, 934,
&end
#
# 59 ARG H 59 ARG HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 59 ARG H 59 ARG HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 940, 945, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 59 ARG H 59 ARG HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 940, 950, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 59 ARG H 59 ARG HG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 940, 947, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 59 ARG H 59 ARG HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 940, 948, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 59 ARG H 60 ALA H 3.86
&rst
ixpk= 0, nxpk= 0, iat= 940, 964, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 59 ARG H 60 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 968, 969, 970,
&end
#
# 59 ARG HA 59 ARG HB2 2.82
&rst
ixpk= 0, nxpk= 0, iat= 942, 944, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 59 ARG HA 59 ARG HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 942, 948, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 59 ARG HB2 59 ARG HG3 2.76
&rst
ixpk= 0, nxpk= 0, iat= 944, 948, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 59 ARG HB2 59 ARG QD 3.37
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 950, 951,
&end
#
# 59 ARG HB2 60 ALA H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 944, 964, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 59 ARG HB3 59 ARG QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 950, 951,
&end
#
# 59 ARG HG2 60 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 947, 964, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 59 ARG HG3 60 ALA H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 948, 964, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 59 ARG QD 60 ALA H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 950, 951,
&end
#
# 60 ALA H 60 ALA QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 968, 969, 970,
&end
#
# 60 ALA H 61 LEU H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 964, 974, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 60 ALA H 77 ILE QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1273,1274,1275,
&end
#
# 60 ALA HA 62 ASP H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 966, 993, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 60 ALA QB 61 LEU H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 61 LEU HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 62 ASP H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 63 SER H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 63 SER HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 73 TRP HE1 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 73 TRP HZ2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 77 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 968, 969, 970,
igr2=1273,1274,1275,
&end
#
# 60 ALA QB 77 ILE QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 968, 969, 970,
igr2=1266,1267,1268,
&end
#
# 61 LEU H 61 LEU HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 974, 978, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 61 LEU H 61 LEU HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat= 974, 979, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 61 LEU H 61 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 983, 984, 985,
&end
#
# 61 LEU H 61 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 987, 988, 989,
&end
#
# 61 LEU H 62 ASP H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 974, 993, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 61 LEU H 73 TRP HZ2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 974,1185, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 61 LEU HA 61 LEU HG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 976, 981, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 61 LEU HA 61 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 983, 984, 985,
&end
#
# 61 LEU HA 61 LEU QD2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 987, 988, 989,
&end
#
# 61 LEU HA 63 SER H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 976,1005, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 61 LEU HA 64 PHE H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 976,1016, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 61 LEU HA 64 PHE HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 976,1020, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 61 LEU HA 64 PHE HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= 976,1021, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 61 LEU HA 64 PHE QD 4.72
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1024,1032,
&end
#
# 61 LEU HA 73 TRP HZ2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 976,1185, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 61 LEU HB2 61 LEU QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 983, 984, 985,
&end
#
# 61 LEU HB2 61 LEU QD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 987, 988, 989,
&end
#
# 61 LEU HB2 62 ASP H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 978, 993, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 61 LEU HB3 61 LEU QD2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 987, 988, 989,
&end
#
# 61 LEU HB3 62 ASP H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 979, 993, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 61 LEU HB3 64 PHE H 5.29
&rst
ixpk= 0, nxpk= 0, iat= 979,1016, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 61 LEU HG 73 TRP HZ3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 981,1189, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 61 LEU QD1 62 ASP H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 983, 984, 985,
&end
#
# 61 LEU QD1 64 PHE HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 983, 984, 985,
&end
#
# 61 LEU QD1 64 PHE QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 983, 984, 985,
igr2=1024,1032,
&end
#
# 61 LEU QD1 73 TRP HZ3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 983, 984, 985,
&end
#
# 61 LEU QD2 62 ASP H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 987, 988, 989,
&end
#
# 61 LEU QD2 64 PHE QD 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 987, 988, 989,
igr2=1024,1032,
&end
#
# 61 LEU QD2 64 PHE QE 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 987, 988, 989,
igr2=1026,1030,
&end
#
# 61 LEU QD2 73 TRP HZ2 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 987, 988, 989,
&end
#
# 61 LEU QD2 73 TRP HZ3 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 987, 988, 989,
&end
#
# 62 ASP H 62 ASP QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 997, 998,
&end
#
# 62 ASP H 63 SER H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 993,1005, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 62 ASP H 63 SER HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 993,1010, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 62 ASP H 64 PHE H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 993,1016, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 62 ASP HA 62 ASP QB 2.74
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 997, 998,
&end
#
# 62 ASP HA 64 PHE H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 995,1016, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 62 ASP QB 63 SER H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 997, 998,
&end
#
# 62 ASP QB 63 SER HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 997, 998,
&end
#
# 62 ASP QB 63 SER HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 997, 998,
&end
#
# 62 ASP QB 64 PHE H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 997, 998,
&end
#
# 63 SER H 63 SER HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1005,1009, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 63 SER H 63 SER HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1005,1010, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 63 SER H 64 PHE H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1005,1016, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 63 SER H 64 PHE HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1005,1020, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 63 SER HB2 64 PHE H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1009,1016, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 63 SER HB3 64 PHE H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1010,1016, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 64 PHE H 64 PHE HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1016,1020, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 64 PHE H 64 PHE HB3 3.46
&rst
ixpk= 0, nxpk= 0, iat=1016,1021, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 64 PHE H 64 PHE QD 4.20
&rst
ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1024,1032,
&end
#
# 64 PHE H 65 ASP H 4.64
&rst
ixpk= 0, nxpk= 0, iat=1016,1036, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 64 PHE H 73 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1016,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 PHE HA 64 PHE QD 3.71
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1024,1032,
&end
#
# 64 PHE HA 64 PHE QE 5.04
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1026,1030,
&end
#
# 64 PHE HA 65 ASP QB 4.14
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1040,1041,
&end
#
# 64 PHE HA 73 TRP HE1 5.03
&rst
ixpk= 0, nxpk= 0, iat=1018,1182, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 64 PHE HB2 65 ASP H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1020,1036, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 64 PHE HB2 73 TRP HZ2 5.37
&rst
ixpk= 0, nxpk= 0, iat=1020,1185, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 64 PHE HB3 73 TRP HZ2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1021,1185, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 64 PHE QD 66 ILE H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1024,1032,
&end
#
# 64 PHE QD 66 ILE HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1024,1032,
&end
#
# 64 PHE QD 66 ILE QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1024,1032,
igr2=1061,1062,1063,
&end
#
# 64 PHE QD 73 TRP HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1024,1032,
&end
#
# 64 PHE QD 73 TRP HD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1024,1032,
&end
#
# 64 PHE QD 73 TRP HE1 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1024,1032,
&end
#
# 64 PHE QD 73 TRP HZ2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1024,1032,
&end
#
# 64 PHE QE 66 ILE H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1026,1030,
&end
#
# 64 PHE QE 66 ILE HA 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=1026,1030,
&end
#
# 64 PHE QE 66 ILE HB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1026,1030,
&end
#
# 64 PHE QE 66 ILE QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1026,1030,
igr2=1061,1062,1063,
&end
#
# 64 PHE QE 68 ARG H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1026,1030,
&end
#
# 64 PHE QE 68 ARG HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1026,1030,
&end
#
# 64 PHE QE 68 ARG HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1026,1030,
&end
#
# 64 PHE QE 70 PHE HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1026,1030,
&end
#
# 64 PHE QE 73 TRP HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1026,1030,
&end
#
# 64 PHE QE 73 TRP HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1026,1030,
&end
#
# 64 PHE QE 73 TRP HD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1026,1030,
&end
#
# 65 ASP HA 66 ILE H 2.83
&rst
ixpk= 0, nxpk= 0, iat=1038,1048, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 65 ASP HA 66 ILE HA 4.54
&rst
ixpk= 0, nxpk= 0, iat=1038,1050, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 65 ASP HA 66 ILE HB 4.82
&rst
ixpk= 0, nxpk= 0, iat=1038,1052, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 65 ASP HA 66 ILE QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1054,1055,1056,
&end
#
# 65 ASP HA 67 ASN H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1038,1067, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 65 ASP HA 68 ARG H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1038,1081, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 65 ASP QB 66 ILE H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1040,1041,
&end
#
# 65 ASP QB 67 ASN H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1040,1041,
&end
#
# 65 ASP QB 67 ASN HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1040,1041,
&end
#
# 65 ASP QB 68 ARG H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1040,1041,
&end
#
# 65 ASP QB 68 ARG QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1040,1041,
igr2=1091,1092,
&end
#
# 65 ASP QB 68 ARG QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1040,1041,
igr2=1088,1089,
&end
#
# 66 ILE H 66 ILE HB 3.37
&rst
ixpk= 0, nxpk= 0, iat=1048,1052, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 66 ILE H 66 ILE QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1061,1062,1063,
&end
#
# 66 ILE H 66 ILE QG2 3.26
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1054,1055,1056,
&end
#
# 66 ILE H 67 ASN H 3.64
&rst
ixpk= 0, nxpk= 0, iat=1048,1067, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 66 ILE H 68 ARG H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1048,1081, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 66 ILE HA 66 ILE QD1 3.31
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1061,1062,1063,
&end
#
# 66 ILE HA 66 ILE QG1 3.61
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1058,1059,
&end
#
# 66 ILE HA 66 ILE QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1054,1055,1056,
&end
#
# 66 ILE HA 68 ARG H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1050,1081, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 66 ILE HB 66 ILE QD1 3.03
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1061,1062,1063,
&end
#
# 66 ILE HB 67 ASN H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1052,1067, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 66 ILE QD1 67 ASN H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1061,1062,1063,
&end
#
# 66 ILE QD1 67 ASN HD22 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1061,1062,1063,
&end
#
# 66 ILE QD1 68 ARG H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1061,1062,1063,
&end
#
# 66 ILE QG1 67 ASN H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1058,1059,
&end
#
# 66 ILE QG1 67 ASN HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1058,1059,
&end
#
# 66 ILE QG1 67 ASN HD22 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1058,1059,
&end
#
# 66 ILE QG2 66 ILE QG1 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1054,1055,1056,
igr2=1058,1059,
&end
#
# 66 ILE QG2 67 ASN H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1054,1055,1056,
&end
#
# 66 ILE QG2 67 ASN HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1054,1055,1056,
&end
#
# 66 ILE QG2 67 ASN HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1054,1055,1056,
&end
#
# 66 ILE QG2 68 ARG H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1054,1055,1056,
&end
#
# 67 ASN H 67 ASN HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1067,1071, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 67 ASN H 67 ASN HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat=1067,1072, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 67 ASN H 67 ASN HD21 4.15
&rst
ixpk= 0, nxpk= 0, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 67 ASN H 67 ASN HD22 4.17
&rst
ixpk= 0, nxpk= 0, iat=1067,1076, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 67 ASN H 68 ARG H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1067,1081, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 67 ASN H 68 ARG HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1067,1083, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 67 ASN HA 67 ASN HD21 4.81
&rst
ixpk= 0, nxpk= 0, iat=1069,1077, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 67 ASN HA 67 ASN HD22 4.26
&rst
ixpk= 0, nxpk= 0, iat=1069,1076, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 67 ASN HB2 67 ASN HD21 4.02
&rst
ixpk= 0, nxpk= 0, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 67 ASN HB2 68 ARG QG 4.85
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1088,1089,
&end
#
# 67 ASN HB3 67 ASN HD21 3.66
&rst
ixpk= 0, nxpk= 0, iat=1072,1077, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 67 ASN HB3 67 ASN HD22 3.92
&rst
ixpk= 0, nxpk= 0, iat=1072,1076, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 67 ASN HB3 68 ARG H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1072,1081, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 67 ASN HB3 68 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1088,1089,
&end
#
# 68 ARG H 68 ARG HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1081,1085, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 68 ARG H 68 ARG HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat=1081,1086, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 68 ARG H 68 ARG QD 4.68
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1091,1092,
&end
#
# 68 ARG H 68 ARG QG 3.57
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1088,1089,
&end
#
# 68 ARG H 69 LYS H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1081,1105, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 68 ARG HA 68 ARG QD 4.10
&rst
ixpk= 0, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1091,1092,
&end
#
# 68 ARG HA 68 ARG QG 3.48
&rst
ixpk= 0, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1088,1089,
&end
#
# 68 ARG HA 69 LYS H 3.09
&rst
ixpk= 0, nxpk= 0, iat=1083,1105, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 68 ARG HB2 69 LYS H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1085,1105, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 68 ARG QD 69 LYS H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1091,1092,
&end
#
# 68 ARG QG 69 LYS H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1088,1089,
&end
#
# 69 LYS H 69 LYS HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1105,1109, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 69 LYS H 69 LYS HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat=1105,1110, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 69 LYS H 69 LYS QG 4.28
&rst
ixpk= 0, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1112,1113,
&end
#
# 69 LYS H 70 PHE H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1105,1127, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 69 LYS H 72 THR HB 4.99
&rst
ixpk= 0, nxpk= 0, iat=1105,1162, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 69 LYS HA 70 PHE H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1107,1127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 LYS HA 71 SER H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1107,1147, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 69 LYS HA 72 THR H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1107,1158, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 69 LYS HB2 69 LYS QD 3.71
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1115,1116,
&end
#
# 69 LYS HB2 69 LYS QE 4.43
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1118,1119,
&end
#
# 69 LYS HB2 70 PHE H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1109,1127, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 69 LYS HB2 71 SER H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1109,1147, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 69 LYS HB2 72 THR H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1109,1158, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 69 LYS HB2 72 THR QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1164,1165,1166,
&end
#
# 69 LYS HB3 69 LYS QE 4.38
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1118,1119,
&end
#
# 69 LYS HB3 72 THR H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1110,1158, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 69 LYS HB3 72 THR HB 3.62
&rst
ixpk= 0, nxpk= 0, iat=1110,1162, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 69 LYS QD 72 THR HB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1162, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1115,1116,
&end
#
# 69 LYS QE 70 PHE H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1118,1119,
&end
#
# 69 LYS QE 72 THR H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1118,1119,
&end
#
# 69 LYS QG 72 THR H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1112,1113,
&end
#
# 69 LYS QG 72 THR QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1112,1113,
igr2=1164,1165,1166,
&end
#
# 70 PHE H 70 PHE HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat=1127,1132, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 70 PHE H 70 PHE QD 4.46
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1135,1143,
&end
#
# 70 PHE H 70 PHE QE 4.96
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1137,1141,
&end
#
# 70 PHE H 71 SER H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1127,1147, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 70 PHE HA 70 PHE QD 3.87
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1135,1143,
&end
#
# 70 PHE HA 73 TRP HE3 4.56
&rst
ixpk= 0, nxpk= 0, iat=1129,1191, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 70 PHE HB3 71 SER H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1132,1147, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 70 PHE HZ 71 SER H 5.26
&rst
ixpk= 0, nxpk= 0, iat=1139,1147, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 70 PHE QD 71 SER H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1135,1143,
&end
#
# 70 PHE QD 71 SER HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1135,1143,
&end
#
# 70 PHE QE 71 SER H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1137,1141,
&end
#
# 71 SER H 71 SER HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1147,1152, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 71 SER H 72 THR H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1147,1158, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 71 SER HB3 72 THR H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1152,1158, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 71 SER HB3 74 LEU H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1152,1196, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 71 SER HB3 74 LEU HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1152,1200, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 71 SER HB3 74 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1209,1210,1211,
&end
#
# 71 SER HB3 75 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1225,1230,
&end
#
# 72 THR H 72 THR HB 3.29
&rst
ixpk= 0, nxpk= 0, iat=1158,1162, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 72 THR H 72 THR QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1164,1165,1166,
&end
#
# 72 THR H 73 TRP H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1158,1172, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 72 THR H 73 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 THR H 74 LEU H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1158,1196, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 72 THR H 75 TYR QE 4.79
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1225,1230,
&end
#
# 72 THR HA 72 THR QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1164,1165,1166,
&end
#
# 72 THR HA 75 TYR H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1160,1215, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 72 THR HA 75 TYR QB 3.60
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1219,1220,
&end
#
# 72 THR HA 75 TYR QD 3.76
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1223,1232,
&end
#
# 72 THR HA 75 TYR QE 4.40
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1225,1230,
&end
#
# 72 THR HA 76 ARG H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1160,1236, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 72 THR HB 73 TRP H 3.49
&rst
ixpk= 0, nxpk= 0, iat=1162,1172, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 72 THR HB 73 TRP HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat=1162,1177, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 72 THR HB 74 LEU H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1162,1196, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 72 THR QG2 73 TRP H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1164,1165,1166,
&end
#
# 72 THR QG2 75 TYR H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1164,1165,1166,
&end
#
# 72 THR QG2 75 TYR QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1164,1165,1166,
igr2=1219,1220,
&end
#
# 72 THR QG2 75 TYR QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1164,1165,1166,
igr2=1223,1232,
&end
#
# 72 THR QG2 76 ARG H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1164,1165,1166,
&end
#
# 73 TRP H 73 TRP HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1172,1176, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 73 TRP H 73 TRP HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat=1172,1177, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 73 TRP H 74 LEU H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1172,1196, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 73 TRP H 74 LEU HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1172,1200, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 73 TRP H 75 TYR H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1172,1215, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 73 TRP HA 73 TRP HD1 3.54
&rst
ixpk= 0, nxpk= 0, iat=1174,1180, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 73 TRP HA 73 TRP HE3 4.56
&rst
ixpk= 0, nxpk= 0, iat=1174,1191, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 73 TRP HA 76 ARG H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1174,1236, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 73 TRP HA 76 ARG QB 3.89
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1240,1241,
&end
#
# 73 TRP HB2 74 LEU H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1176,1196, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 73 TRP HB3 73 TRP HE3 3.52
&rst
ixpk= 0, nxpk= 0, iat=1177,1191, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 73 TRP HB3 74 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1177,1196, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 73 TRP HD1 77 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1273,1274,1275,
&end
#
# 73 TRP HE1 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1273,1274,1275,
&end
#
# 73 TRP HE3 74 LEU H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1191,1196, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 73 TRP HE3 74 LEU HA 4.07
&rst
ixpk= 0, nxpk= 0, iat=1191,1198, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 73 TRP HE3 74 LEU HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1191,1200, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 73 TRP HE3 74 LEU HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat=1191,1201, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 73 TRP HE3 77 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1273,1274,1275,
&end
#
# 73 TRP HZ2 77 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1273,1274,1275,
&end
#
# 73 TRP HZ3 74 LEU H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1189,1196, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 73 TRP HZ3 74 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1205,1206,1207,
&end
#
# 73 TRP HZ3 77 ILE QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1273,1274,1275,
&end
#
# 74 LEU H 74 LEU HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat=1196,1200, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 74 LEU H 74 LEU HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1196,1201, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 74 LEU H 74 LEU HG 5.01
&rst
ixpk= 0, nxpk= 0, iat=1196,1203, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 74 LEU H 74 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1205,1206,1207,
&end
#
# 74 LEU H 74 LEU QD2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1209,1210,1211,
&end
#
# 74 LEU H 75 TYR H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1196,1215, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 74 LEU HA 74 LEU HG 4.18
&rst
ixpk= 0, nxpk= 0, iat=1198,1203, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 74 LEU HA 74 LEU QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1205,1206,1207,
&end
#
# 74 LEU HA 74 LEU QD2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1209,1210,1211,
&end
#
# 74 LEU HA 77 ILE H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1198,1260, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 74 LEU HA 77 ILE HB 3.74
&rst
ixpk= 0, nxpk= 0, iat=1198,1264, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 74 LEU HA 77 ILE QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1273,1274,1275,
&end
#
# 74 LEU HA 77 ILE QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1266,1267,1268,
&end
#
# 74 LEU HA 78 ALA H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1198,1279, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 74 LEU HB2 75 TYR H 3.96
&rst
ixpk= 0, nxpk= 0, iat=1200,1215, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 74 LEU HB3 74 LEU QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1205,1206,1207,
&end
#
# 74 LEU HG 75 TYR H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1203,1215, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 74 LEU QD1 75 TYR H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1205,1206,1207,
&end
#
# 74 LEU QD1 75 TYR QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1205,1206,1207,
igr2=1223,1232,
&end
#
# 74 LEU QD1 77 ILE HB 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1205,1206,1207,
&end
#
# 74 LEU QD1 77 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1205,1206,1207,
igr2=1273,1274,1275,
&end
#
# 74 LEU QD1 77 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1205,1206,1207,
igr2=1266,1267,1268,
&end
#
# 74 LEU QD1 78 ALA H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1205,1206,1207,
&end
#
# 74 LEU QD1 78 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1205,1206,1207,
igr2=1283,1284,1285,
&end
#
# 74 LEU QD2 75 TYR H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1209,1210,1211,
&end
#
# 74 LEU QD2 75 TYR QE 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1209,1210,1211,
igr2=1225,1230,
&end
#
# 75 TYR H 75 TYR HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1215,1219, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 75 TYR H 75 TYR QD 3.93
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1223,1232,
&end
#
# 75 TYR H 75 TYR QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1225,1230,
&end
#
# 75 TYR H 76 ARG H 3.75
&rst
ixpk= 0, nxpk= 0, iat=1215,1236, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 75 TYR H 76 ARG HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1215,1240, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 75 TYR HA 75 TYR QD 3.10
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1223,1232,
&end
#
# 75 TYR HA 78 ALA H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1217,1279, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 75 TYR HA 78 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1283,1284,1285,
&end
#
# 75 TYR HA 79 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1217,1289, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 75 TYR QB 76 ARG H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1219,1220,
&end
#
# 75 TYR QD 76 ARG H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1223,1232,
&end
#
# 75 TYR QD 78 ALA H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1223,1232,
&end
#
# 75 TYR QD 78 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1223,1232,
igr2=1283,1284,1285,
&end
#
# 76 ARG H 76 ARG HB2 3.26
&rst
ixpk= 0, nxpk= 0, iat=1236,1240, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 76 ARG H 76 ARG QB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1240,1241,
&end
#
# 76 ARG H 76 ARG QD 4.32
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1246,1247,
&end
#
# 76 ARG H 77 ILE H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1236,1260, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 76 ARG H 78 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1236,1279, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 76 ARG H 78 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1283,1284,1285,
&end
#
# 76 ARG HA 76 ARG QD 3.30
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1246,1247,
&end
#
# 76 ARG HA 76 ARG QG 3.59
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1243,1244,
&end
#
# 76 ARG HA 79 VAL H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1238,1289, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 76 ARG HA 79 VAL HB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1238,1293, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 ARG HA 79 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1295,1296,1297,
&end
#
# 76 ARG HA 79 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1299,1300,1301,
&end
#
# 76 ARG HA 80 ASN H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1238,1305, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 76 ARG HB2 77 ILE H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1240,1260, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 76 ARG QB 77 ILE H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1240,1241,
&end
#
# 76 ARG QD 77 ILE HG12 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1246,1247,
&end
#
# 76 ARG QD 79 VAL H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1246,1247,
&end
#
# 76 ARG QD 79 VAL QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1246,1247,
igr2=1299,1300,1301,
&end
#
# 76 ARG QG 76 ARG QD 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1=1243,1244,
igr2=1246,1247,
&end
#
# 76 ARG QG 77 ILE HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1243,1244,
&end
#
# 76 ARG QG 77 ILE QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1243,1244,
igr2=1273,1274,1275,
&end
#
# 77 ILE H 77 ILE HB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1260,1264, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 77 ILE H 77 ILE HG12 3.94
&rst
ixpk= 0, nxpk= 0, iat=1260,1270, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 77 ILE H 77 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1273,1274,1275,
&end
#
# 77 ILE H 77 ILE QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1266,1267,1268,
&end
#
# 77 ILE H 78 ALA H 3.59
&rst
ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 77 ILE H 78 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1283,1284,1285,
&end
#
# 77 ILE H 79 VAL H 5.20
&rst
ixpk= 0, nxpk= 0, iat=1260,1289, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 77 ILE HA 77 ILE HG12 4.06
&rst
ixpk= 0, nxpk= 0, iat=1262,1270, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 77 ILE HA 77 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1273,1274,1275,
&end
#
# 77 ILE HA 77 ILE QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1266,1267,1268,
&end
#
# 77 ILE HA 80 ASN H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1262,1305, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 77 ILE HA 80 ASN HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1262,1309, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 77 ILE HA 80 ASN HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat=1262,1310, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 77 ILE HB 77 ILE QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1273,1274,1275,
&end
#
# 77 ILE HB 78 ALA H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1264,1279, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 77 ILE HB 78 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1283,1284,1285,
&end
#
# 77 ILE HG12 78 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1270,1279, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 77 ILE QD1 78 ALA H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1273,1274,1275,
&end
#
# 77 ILE QG2 77 ILE HG12 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1266,1267,1268,
&end
#
# 77 ILE QG2 77 ILE QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1266,1267,1268,
igr2=1273,1274,1275,
&end
#
# 77 ILE QG2 78 ALA H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1266,1267,1268,
&end
#
# 77 ILE QG2 78 ALA HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1266,1267,1268,
&end
#
# 77 ILE QG2 78 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr1=1266,1267,1268,
igr2=1283,1284,1285,
&end
#
# 78 ALA H 78 ALA QB 3.22
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1283,1284,1285,
&end
#
# 78 ALA H 79 VAL H 3.64
&rst
ixpk= 0, nxpk= 0, iat=1279,1289, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 78 ALA H 79 VAL HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1279,1291, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 78 ALA H 79 VAL QG1 5.20
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1295,1296,1297,
&end
#
# 78 ALA HA 81 THR H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1281,1319, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 78 ALA HA 81 THR HB 3.75
&rst
ixpk= 0, nxpk= 0, iat=1281,1323, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 78 ALA HA 81 THR QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1325,1326,1327,
&end
#
# 78 ALA HA 82 ALA H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1281,1333, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 78 ALA QB 79 VAL H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1283,1284,1285,
&end
#
# 78 ALA QB 79 VAL HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1283,1284,1285,
&end
#
# 78 ALA QB 79 VAL HB 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1283,1284,1285,
&end
#
# 78 ALA QB 82 ALA H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1283,1284,1285,
&end
#
# 79 VAL H 79 VAL HB 3.30
&rst
ixpk= 0, nxpk= 0, iat=1289,1293, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 79 VAL H 79 VAL QG1 3.15
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1295,1296,1297,
&end
#
# 79 VAL H 79 VAL QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1299,1300,1301,
&end
#
# 79 VAL H 80 ASN H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1289,1305, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 79 VAL H 82 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1337,1338,1339,
&end
#
# 79 VAL HA 79 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1295,1296,1297,
&end
#
# 79 VAL HA 79 VAL QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1299,1300,1301,
&end
#
# 79 VAL HA 82 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1291,1333, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 79 VAL HA 82 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1337,1338,1339,
&end
#
# 79 VAL HB 80 ASN H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1293,1305, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 79 VAL HB 83 LYS QD 5.40
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1353,1354,
&end
#
# 79 VAL QG1 80 ASN H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1295,1296,1297,
&end
#
# 79 VAL QG1 83 LYS HE3 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1295,1296,1297,
&end
#
# 79 VAL QG1 83 LYS QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1295,1296,1297,
igr2=1353,1354,
&end
#
# 79 VAL QG2 80 ASN H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1299,1300,1301,
&end
#
# 79 VAL QG2 80 ASN HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1299,1300,1301,
&end
#
# 79 VAL QG2 82 ALA QB 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1299,1300,1301,
igr2=1337,1338,1339,
&end
#
# 79 VAL QG2 83 LYS H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1299,1300,1301,
&end
#
# 79 VAL QG2 83 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1299,1300,1301,
&end
#
# 79 VAL QG2 83 LYS HE2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1299,1300,1301,
&end
#
# 79 VAL QG2 83 LYS HE3 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1299,1300,1301,
&end
#
# 79 VAL QG2 83 LYS HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1299,1300,1301,
&end
#
# 79 VAL QG2 83 LYS HG3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1299,1300,1301,
&end
#
# 79 VAL QG2 83 LYS QD 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1299,1300,1301,
igr2=1353,1354,
&end
#
# 80 ASN H 80 ASN HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1305,1309, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 80 ASN H 80 ASN HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat=1305,1310, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 80 ASN H 81 THR H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1305,1319, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 80 ASN H 82 ALA H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1305,1333, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 80 ASN HA 83 LYS H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1307,1343, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 80 ASN HA 83 LYS HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1307,1347, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 80 ASN HA 83 LYS HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat=1307,1348, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 80 ASN HA 83 LYS HE2 5.03
&rst
ixpk= 0, nxpk= 0, iat=1307,1356, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 80 ASN HA 83 LYS QD 3.99
&rst
ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1353,1354,
&end
#
# 80 ASN HA 84 ASN H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1307,1365, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 80 ASN HB2 81 THR H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1309,1319, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 80 ASN HB3 81 THR H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1310,1319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 81 THR H 81 THR HB 3.63
&rst
ixpk= 0, nxpk= 0, iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 81 THR H 81 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1325,1326,1327,
&end
#
# 81 THR H 82 ALA H 3.28
&rst
ixpk= 0, nxpk= 0, iat=1319,1333, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 81 THR H 82 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1337,1338,1339,
&end
#
# 81 THR HA 81 THR QG2 3.21
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1325,1326,1327,
&end
#
# 81 THR HA 82 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1337,1338,1339,
&end
#
# 81 THR HA 84 ASN H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1321,1365, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 81 THR HA 84 ASN HD21 5.09
&rst
ixpk= 0, nxpk= 0, iat=1321,1375, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 81 THR HA 84 ASN QB 3.36
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1369,1370,
&end
#
# 81 THR HA 85 TYR H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1321,1379, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 81 THR HB 82 ALA H 3.60
&rst
ixpk= 0, nxpk= 0, iat=1323,1333, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 81 THR HB 82 ALA HA 4.80
&rst
ixpk= 0, nxpk= 0, iat=1323,1335, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 81 THR QG2 82 ALA H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1325,1326,1327,
&end
#
# 81 THR QG2 82 ALA QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1325,1326,1327,
igr2=1337,1338,1339,
&end
#
# 82 ALA H 82 ALA QB 3.26
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1337,1338,1339,
&end
#
# 82 ALA H 83 LYS QD 5.15
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1353,1354,
&end
#
# 82 ALA HA 85 TYR H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1335,1379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 82 ALA HA 85 TYR HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=1335,1381, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 82 ALA HA 85 TYR HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1335,1383, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 82 ALA HA 85 TYR HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat=1335,1384, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 82 ALA HA 85 TYR QD 4.44
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1387,1396,
&end
#
# 82 ALA HA 86 LEU H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1335,1400, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 82 ALA QB 83 LYS H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1337,1338,1339,
&end
#
# 82 ALA QB 83 LYS HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1337,1338,1339,
&end
#
# 82 ALA QB 83 LYS QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1337,1338,1339,
igr2=1353,1354,
&end
#
# 82 ALA QB 85 TYR H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1337,1338,1339,
&end
#
# 82 ALA QB 86 LEU HG 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1337,1338,1339,
&end
#
# 83 LYS H 83 LYS HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1343,1347, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 83 LYS H 83 LYS HB3 3.48
&rst
ixpk= 0, nxpk= 0, iat=1343,1348, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 83 LYS H 83 LYS HE2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1343,1356, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 83 LYS H 83 LYS HE3 5.11
&rst
ixpk= 0, nxpk= 0, iat=1343,1357, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 83 LYS H 83 LYS HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1343,1350, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 83 LYS H 83 LYS HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat=1343,1351, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 83 LYS H 83 LYS QD 4.02
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1353,1354,
&end
#
# 83 LYS H 84 ASN H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1343,1365, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 83 LYS H 84 ASN QB 4.88
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1369,1370,
&end
#
# 83 LYS HA 83 LYS HE2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1345,1356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 83 LYS HA 83 LYS HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1345,1350, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 83 LYS HA 83 LYS QD 4.18
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1353,1354,
&end
#
# 83 LYS HA 86 LEU H 3.96
&rst
ixpk= 0, nxpk= 0, iat=1345,1400, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 83 LYS HA 86 LEU HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1345,1405, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 83 LYS HB2 83 LYS HE2 4.53
&rst
ixpk= 0, nxpk= 0, iat=1347,1356, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 83 LYS HB2 83 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1347,1357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS HB2 83 LYS QD 4.17
&rst
ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1353,1354,
&end
#
# 83 LYS HB2 84 ASN H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1347,1365, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 83 LYS HB3 83 LYS HE3 4.58
&rst
ixpk= 0, nxpk= 0, iat=1348,1357, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 83 LYS HB3 83 LYS QD 3.28
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1353,1354,
&end
#
# 83 LYS HB3 84 ASN H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1348,1365, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 83 LYS HG2 83 LYS HE2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1350,1356, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 83 LYS HG2 84 ASN H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1350,1365, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 83 LYS HG3 83 LYS HE2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1351,1356, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 83 LYS HG3 83 LYS HE3 4.23
&rst
ixpk= 0, nxpk= 0, iat=1351,1357, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 83 LYS QD 84 ASN H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1353,1354,
&end
#
# 84 ASN H 84 ASN QB 3.15
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1369,1370,
&end
#
# 84 ASN HA 84 ASN HD21 5.01
&rst
ixpk= 0, nxpk= 0, iat=1367,1375, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 84 ASN HA 86 LEU H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1367,1400, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 84 ASN HA 87 VAL H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1367,1419, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 84 ASN HA 87 VAL HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1367,1421, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 84 ASN HA 87 VAL HB 3.47
&rst
ixpk= 0, nxpk= 0, iat=1367,1423, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 84 ASN HA 87 VAL QG1 4.10
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1425,1426,1427,
&end
#
# 84 ASN HA 87 VAL QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1429,1430,1431,
&end
#
# 84 ASN HA 88 ALA H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1367,1435, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 84 ASN HA 88 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1439,1440,1441,
&end
#
# 84 ASN QB 84 ASN HD21 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1369,1370,
&end
#
# 84 ASN QB 84 ASN HD22 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1369,1370,
&end
#
# 84 ASN QB 85 TYR H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1369,1370,
&end
#
# 84 ASN QB 85 TYR HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1369,1370,
&end
#
# 84 ASN QB 87 VAL HB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1369,1370,
&end
#
# 84 ASN QB 87 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1369,1370,
igr2=1429,1430,1431,
&end
#
# 85 TYR H 85 TYR HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1379,1383, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 85 TYR H 85 TYR HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat=1379,1384, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 85 TYR H 85 TYR QD 4.53
&rst
ixpk= 0, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1387,1396,
&end
#
# 85 TYR H 86 LEU H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1379,1400, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 85 TYR HA 85 TYR QD 3.49
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1387,1396,
&end
#
# 85 TYR HA 85 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1389,1394,
&end
#
# 85 TYR HA 88 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1439,1440,1441,
&end
#
# 85 TYR HA 89 GLN QG 5.35
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1452,1453,
&end
#
# 85 TYR HB2 86 LEU H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1383,1400, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 85 TYR HB3 86 LEU HA 4.66
&rst
ixpk= 0, nxpk= 0, iat=1384,1402, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 85 TYR HB3 86 LEU QD2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1413,1414,1415,
&end
#
# 85 TYR QD 86 LEU H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1387,1396,
&end
#
# 85 TYR QD 86 LEU HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1387,1396,
&end
#
# 85 TYR QD 86 LEU HG 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1387,1396,
&end
#
# 85 TYR QD 86 LEU QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1387,1396,
igr2=1413,1414,1415,
&end
#
# 85 TYR QD 88 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1387,1396,
igr2=1439,1440,1441,
&end
#
# 85 TYR QD 89 GLN HE21 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1387,1396,
&end
#
# 85 TYR QD 89 GLN HE22 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1387,1396,
&end
#
# 85 TYR QD 89 GLN QG 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1387,1396,
igr2=1452,1453,
&end
#
# 85 TYR QE 86 LEU HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1389,1394,
&end
#
# 85 TYR QE 86 LEU QD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1389,1394,
igr2=1413,1414,1415,
&end
#
# 86 LEU H 86 LEU HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 86 LEU H 86 LEU HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1400,1405, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 86 LEU H 86 LEU HG 3.27
&rst
ixpk= 0, nxpk= 0, iat=1400,1407, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 86 LEU H 86 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1413,1414,1415,
&end
#
# 86 LEU H 87 VAL H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1400,1419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 LEU H 89 GLN H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1400,1445, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 86 LEU H 89 GLN QG 5.09
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1452,1453,
&end
#
# 86 LEU HA 86 LEU QD2 3.03
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1413,1414,1415,
&end
#
# 86 LEU HA 89 GLN H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1402,1445, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 86 LEU HB2 86 LEU QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1409,1410,1411,
&end
#
# 86 LEU HB2 87 VAL H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1404,1419, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 86 LEU HB2 87 VAL HA 4.85
&rst
ixpk= 0, nxpk= 0, iat=1404,1421, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 86 LEU HB2 87 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1429,1430,1431,
&end
#
# 86 LEU HB2 89 GLN H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1404,1445, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 86 LEU HB3 86 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1409,1410,1411,
&end
#
# 86 LEU HB3 86 LEU QD2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1413,1414,1415,
&end
#
# 86 LEU HB3 87 VAL H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1405,1419, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 86 LEU HB3 87 VAL QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1429,1430,1431,
&end
#
# 86 LEU QD2 87 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1413,1414,1415,
&end
#
# 86 LEU QD2 89 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1413,1414,1415,
&end
#
# 86 LEU QD2 89 GLN QG 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1413,1414,1415,
igr2=1452,1453,
&end
#
# 87 VAL H 87 VAL HB 3.18
&rst
ixpk= 0, nxpk= 0, iat=1419,1423, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 87 VAL H 87 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1425,1426,1427,
&end
#
# 87 VAL H 87 VAL QG2 3.08
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1429,1430,1431,
&end
#
# 87 VAL H 88 ALA H 3.55
&rst
ixpk= 0, nxpk= 0, iat=1419,1435, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 87 VAL H 88 ALA HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1419,1437, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 87 VAL H 88 ALA QB 4.59
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1439,1440,1441,
&end
#
# 87 VAL H 89 GLN QG 5.49
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1452,1453,
&end
#
# 87 VAL HA 87 VAL QG1 3.14
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1425,1426,1427,
&end
#
# 87 VAL HA 87 VAL QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1429,1430,1431,
&end
#
# 87 VAL HA 89 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1421,1445, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 VAL HB 88 ALA H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1423,1435, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 87 VAL QG1 88 ALA H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1425,1426,1427,
&end
#
# 87 VAL QG1 88 ALA HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1425,1426,1427,
&end
#
# 87 VAL QG1 88 ALA QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1425,1426,1427,
igr2=1439,1440,1441,
&end
#
# 87 VAL QG1 89 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1425,1426,1427,
&end
#
# 87 VAL QG1 91 ARG QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1425,1426,1427,
igr2=1479,1480,
&end
#
# 87 VAL QG1 91 ARG QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1425,1426,1427,
igr2=1476,1477,
&end
#
# 87 VAL QG2 88 ALA H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1429,1430,1431,
&end
#
# 87 VAL QG2 91 ARG QD 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1429,1430,1431,
igr2=1479,1480,
&end
#
# 88 ALA H 88 ALA QB 3.02
&rst
ixpk= 0, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1439,1440,1441,
&end
#
# 88 ALA HA 89 GLN QG 5.02
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1452,1453,
&end
#
# 88 ALA QB 89 GLN H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1439,1440,1441,
&end
#
# 88 ALA QB 89 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1439,1440,1441,
&end
#
# 88 ALA QB 89 GLN HE21 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1439,1440,1441,
&end
#
# 88 ALA QB 89 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1439,1440,1441,
&end
#
# 88 ALA QB 89 GLN QG 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1439,1440,1441,
igr2=1452,1453,
&end
#
# 89 GLN H 89 GLN HE21 5.35
&rst
ixpk= 0, nxpk= 0, iat=1445,1458, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 89 GLN H 89 GLN HE22 5.25
&rst
ixpk= 0, nxpk= 0, iat=1445,1457, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 89 GLN H 89 GLN QB 3.83
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1449,1450,
&end
#
# 89 GLN H 89 GLN QG 3.59
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1452,1453,
&end
#
# 89 GLN HA 89 GLN HE21 5.23
&rst
ixpk= 0, nxpk= 0, iat=1447,1458, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 89 GLN HA 89 GLN QG 3.50
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1452,1453,
&end
#
# 89 GLN HA 92 ARG QD 4.70
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1503,1504,
&end
#
# 89 GLN HA 92 ARG QG 4.48
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1500,1501,
&end
#
# 89 GLN QB 89 GLN QG 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1449,1450,
igr2=1452,1453,
&end
#
# 89 GLN QB 90 GLY H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1449,1450,
&end
#
# 89 GLN QB 92 ARG QG 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1449,1450,
igr2=1500,1501,
&end
#
# 89 GLN QG 89 GLN HE21 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1452,1453,
&end
#
# 89 GLN QG 89 GLN HE22 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1452,1453,
&end
#
# 89 GLN QG 90 GLY H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1452,1453,
&end
#
# 90 GLY H 91 ARG H 3.49
&rst
ixpk= 0, nxpk= 0, iat=1462,1469, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 90 GLY QA 91 ARG HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1464,1465,
&end
#
# 90 GLY QA 91 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1464,1465,
&end
#
# 91 ARG H 91 ARG HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1469,1476, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 91 ARG H 91 ARG QB 4.06
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1473,1474,
&end
#
# 91 ARG H 91 ARG QD 5.40
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1479,1480,
&end
#
# 91 ARG H 92 ARG H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1469,1493, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 91 ARG HA 91 ARG HG2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1471,1476, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 91 ARG HA 91 ARG QD 4.44
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1479,1480,
&end
#
# 91 ARG HA 94 GLU HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat=1471,1541, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 91 ARG HA 94 GLU QG 4.61
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1543,1544,
&end
#
# 91 ARG QB 93 LEU H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1473,1474,
&end
#
# 92 ARG H 92 ARG HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1498, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 ARG H 92 ARG HG2 5.32
&rst
ixpk= 0, nxpk= 0, iat=1493,1500, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 92 ARG H 92 ARG HG3 4.99
&rst
ixpk= 0, nxpk= 0, iat=1493,1501, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 92 ARG H 92 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1503,1504,
&end
#
# 92 ARG H 93 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 92 ARG H 94 GLU H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1493,1536, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 92 ARG HA 92 ARG QD 5.47
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1503,1504,
&end
#
# 92 ARG HB3 92 ARG HG2 2.91
&rst
ixpk= 0, nxpk= 0, iat=1498,1500, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 92 ARG HB3 93 LEU QB 4.41
&rst
ixpk= 0, nxpk= 0, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1521,1522,
&end
#
# 92 ARG HG3 93 LEU H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1501,1517, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 93 LEU H 93 LEU QQD 5.18
&rst
ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 93 LEU HA 93 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1526,1527,1528,1530,1531,1532,
&end
#
# 93 LEU QQD 94 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1526,1527,1528,1530,1531,1532,
&end
#
# 94 GLU H 94 GLU HG2 5.23
&rst
ixpk= 0, nxpk= 0, iat=1536,1543, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 94 GLU H 95 LEU H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1536,1551, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 95 LEU H 95 LEU HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat=1551,1556, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 95 LEU HA 95 LEU HB3 2.89
&rst
ixpk= 0, nxpk= 0, iat=1553,1556, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 96 GUA H8 56 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr2= 900, 901,
&end
#
# 97 THY H6 77 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1273,1274,1275,
&end
#
# 97 THY H6 73 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1615,1182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 THY H1' 80 ASN HD21 4.00
&rst
ixpk= 0, nxpk= 0, iat=1612,1315, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 THY H1' 76 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1246,1247,
&end
#
# 97 THY H2' 73 TRP HD1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1630,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 THY H2" 73 TRP HE1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1631,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 THY H3' 73 TRP HE1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1628,1182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 THY Q7 77 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1618,1619,1620,
igr2=1273,1274,1275,
&end
#
# 97 THY Q7 77 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1618,1619,1620,
igr2=1266,1267,1268,
&end
#
# 97 THY Q7 77 ILE HG12 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1618,1619,1620,
&end
#
# 97 THY Q7 73 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1618,1619,1620,
&end
#
# 97 THY Q7 73 TRP HZ2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1618,1619,1620,
&end
#
# 97 THY Q7 73 TRP HH2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1618,1619,1620,
&end
#
# 97 THY Q7 60 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1618,1619,1620,
igr2= 968, 969, 970,
&end
#
# 98 ADE H8 73 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1647,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ADE H1' 72 THR QG2 6.20
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr2=1164,1165,1166,
&end
#
# 98 ADE H1' 68 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1091,1092,
&end
#
# 98 ADE H1' 68 ARG QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1085,1086,
&end
#
# 98 ADE H3' 72 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1164,1165,1166,
&end
#
# 98 ADE H3' 76 ARG QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1240,1241,
&end
#
# 98 ADE H4' 72 THR QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1164,1165,1166,
&end
#
# 98 ADE H5' 72 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1164,1165,1166,
&end
#
# 98 ADE H2 64 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1024,1032,
&end
#
# 98 ADE H2 64 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1026,1030,
&end
#
# 98 ADE H2 64 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat=1656,1028, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 ADE H2 73 TRP HA 6.50
&rst
ixpk= 0, nxpk= 0, iat=1656,1174, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 98 ADE H2 68 ARG HA 4.80
&rst
ixpk= 0, nxpk= 0, iat=1656,1083, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 98 ADE H2 65 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1656,1038, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ADE H2 66 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1656,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ADE H2 68 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1091,1092,
&end
#
# 98 ADE H2 68 ARG QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1088,1089,
&end
#
# 98 ADE H2 68 ARG HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1656,1085, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 ADE H2 68 ARG HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat=1656,1086, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 ADE H2 65 ASP QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1040,1041,
&end
#
# 99 ADE H8 72 THR QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1164,1165,1166,
&end
#
# 99 ADE H1' 72 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1676, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1164,1165,1166,
&end
#
# 99 ADE H3' 72 THR QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1692, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1164,1165,1166,
&end
#
# 99 ADE H2' 72 THR QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1164,1165,1166,
&end
#
# 99 ADE H5' 72 THR QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1164,1165,1166,
&end
#
# 99 ADE H5" 72 THR QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1164,1165,1166,
&end
#
# 100 ADE H8 72 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1711,1160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ADE H8 72 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1164,1165,1166,
&end
#
# 100 ADE H2' 72 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1164,1165,1166,
&end
#
# 100 ADE H2" 72 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1164,1165,1166,
&end
#
# 100 ADE H3' 69 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1118,1119,
&end
#
# 100 ADE H3' 69 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1115,1116,
&end
#
# 101 ADE H8 75 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1223,1232,
&end
#
# 101 ADE H8 75 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1225,1230,
&end
#
# 101 ADE H8 75 TYR HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 ADE H8 75 TYR HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 ADE H3' 75 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1225,1230,
&end
#
# 101 ADE H2" 75 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1225,1230,
&end
#
# 96 GUA O6 84 ASN HD22 2.40
&rst
ixpk= 0, nxpk= 0, iat=1586,1374, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 96 GUA O6 84 ASN ND2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1586,1373, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 97 THY O2 80 ASN HD21 2.40
&rst
ixpk= 0, nxpk= 0, iat=1626,1315, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 97 THY O2 80 ASN ND2 3.40
&rst
ixpk= 0, nxpk= 0, iat=1626,1313, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 98 ADE N1 65 ASP H 2.40
&rst
ixpk= 0, nxpk= 0, iat=1654,1036, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 98 ADE N1 65 ASP N 3.40
&rst
ixpk= 0, nxpk= 0, iat=1654,1035, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 100 ADE OP1 69 LYS QZ 3.00
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1121,1122,1123,
&end
#
# 100 ADE OP2 72 THR HG1 3.00
&rst
ixpk= 0, nxpk= 0, iat=1699,1168, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 GUA H8 96 GUA H1' 3.80
&rst
ixpk= 0, nxpk= 0, iat=1582,1579, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 96 GUA H8 96 GUA H3' 5.10
&rst
ixpk= 0, nxpk= 0, iat=1582,1596, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 96 GUA H8 96 GUA H5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1573, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 GUA H8 96 GUA H5" 4.50
&rst
ixpk= 0, nxpk= 0, iat=1582,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 GUA H8 96 GUA H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1582,1598, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 96 GUA H8 96 GUA H2" 3.80
&rst
ixpk= 0, nxpk= 0, iat=1582,1599, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 96 GUA H1' 96 GUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1579,1576, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 GUA H1' 96 GUA H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1579,1598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 GUA H1' 96 GUA H2" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1579,1599, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 96 GUA H3' 96 GUA H4' 2.70
&rst
ixpk= 0, nxpk= 0, iat=1596,1576, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 96 GUA H3' 96 GUA H5' 3.80
&rst
ixpk= 0, nxpk= 0, iat=1596,1573, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 96 GUA H3' 96 GUA H5" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1596,1574, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 96 GUA H3' 96 GUA H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1596,1598, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 96 GUA H3' 96 GUA H2" 2.80
&rst
ixpk= 0, nxpk= 0, iat=1596,1599, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 96 GUA H4' 96 GUA H5' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1573, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 GUA H4' 96 GUA H5" 3.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1574, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 GUA H4' 96 GUA H2' 4.20
&rst
ixpk= 0, nxpk= 0, iat=1576,1598, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 96 GUA H4' 96 GUA H2" 4.20
&rst
ixpk= 0, nxpk= 0, iat=1576,1599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 96 GUA H8 97 THY Q7 3.50
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1618,1619,1620,
&end
#
# 96 GUA H1' 97 THY H5' 3.30
&rst
ixpk= 0, nxpk= 0, iat=1579,1606, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 96 GUA H1' 97 THY H5" 4.20
&rst
ixpk= 0, nxpk= 0, iat=1579,1607, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 96 GUA H3' 97 THY Q7 4.90
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1618,1619,1620,
&end
#
# 97 THY H6 97 THY H1' 3.80
&rst
ixpk= 0, nxpk= 0, iat=1615,1612, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 97 THY H6 97 THY H3' 4.20
&rst
ixpk= 0, nxpk= 0, iat=1615,1628, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 97 THY H6 97 THY H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1615,1630, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 97 THY H6 97 THY H2" 4.00
&rst
ixpk= 0, nxpk= 0, iat=1615,1631, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 THY H6 97 THY H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1615,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 THY H6 97 THY H5' 4.80
&rst
ixpk= 0, nxpk= 0, iat=1615,1606, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 97 THY H6 97 THY H5" 5.50
&rst
ixpk= 0, nxpk= 0, iat=1615,1607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 THY H6 97 THY Q7 3.70
&rst
ixpk= 0, nxpk= 0, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1618,1619,1620,
&end
#
# 97 THY H1' 97 THY H4' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 THY H1' 97 THY H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 THY H1' 97 THY H2" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1631, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 97 THY H1' 97 THY H5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1612,1606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 THY H3' 97 THY H4' 2.80
&rst
ixpk= 0, nxpk= 0, iat=1628,1609, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 THY H3' 97 THY H5' 3.80
&rst
ixpk= 0, nxpk= 0, iat=1628,1606, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 97 THY H3' 97 THY H5" 2.80
&rst
ixpk= 0, nxpk= 0, iat=1628,1607, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 THY H3' 97 THY H2' 2.60
&rst
ixpk= 0, nxpk= 0, iat=1628,1630, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 97 THY H3' 97 THY H2" 2.80
&rst
ixpk= 0, nxpk= 0, iat=1628,1631, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 THY H4' 97 THY H2" 5.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 THY H4' 97 THY H5' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1606, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 THY H4' 97 THY H5" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1609,1607, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 97 THY H6 96 GUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1615,1596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 THY H6 96 GUA H2" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1615,1599, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 97 THY H6 96 GUA H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1615,1598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 THY H2' 98 ADE H5" 6.00
&rst
ixpk= 0, nxpk= 0, iat=1630,1639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 THY H6 96 GUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1615,1596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 THY Q7 96 GUA H5" 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1618,1619,1620,
&end
#
# 98 ADE H8 98 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1644, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 ADE H8 98 ADE H3' 3.90
&rst
ixpk= 0, nxpk= 0, iat=1647,1660, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 98 ADE H8 98 ADE H5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 ADE H8 98 ADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1662, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 ADE H8 98 ADE H2" 4.60
&rst
ixpk= 0, nxpk= 0, iat=1647,1663, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 98 ADE H1' 98 ADE H4' 3.60
&rst
ixpk= 0, nxpk= 0, iat=1644,1641, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 98 ADE H1' 98 ADE H2' 3.30
&rst
ixpk= 0, nxpk= 0, iat=1644,1662, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 98 ADE H1' 98 ADE H2" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1644,1663, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 98 ADE H3' 98 ADE H4' 2.90
&rst
ixpk= 0, nxpk= 0, iat=1660,1641, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 98 ADE H3' 98 ADE H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1660,1662, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 98 ADE H3' 98 ADE H2" 2.80
&rst
ixpk= 0, nxpk= 0, iat=1660,1663, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 ADE H3' 98 ADE H5' 3.60
&rst
ixpk= 0, nxpk= 0, iat=1660,1638, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 98 ADE H3' 98 ADE H5" 2.80
&rst
ixpk= 0, nxpk= 0, iat=1660,1639, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 ADE H4' 98 ADE H5' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1641,1638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 ADE H4' 98 ADE H5" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1641,1639, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 98 ADE H8 97 THY H3' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 ADE H8 97 THY H2' 4.60
&rst
ixpk= 0, nxpk= 0, iat=1647,1630, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 98 ADE H8 97 THY H2" 5.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ADE H8 97 THY H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ADE H8 97 THY H5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1647,1606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ADE H8 97 THY H5" 4.00
&rst
ixpk= 0, nxpk= 0, iat=1647,1607, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 ADE H1' 99 ADE H5" 5.50
&rst
ixpk= 0, nxpk= 0, iat=1644,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ADE H8 99 ADE H1' 4.20
&rst
ixpk= 0, nxpk= 0, iat=1679,1676, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 99 ADE H8 99 ADE H3' 4.60
&rst
ixpk= 0, nxpk= 0, iat=1679,1692, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 99 ADE H8 99 ADE H4' 5.30
&rst
ixpk= 0, nxpk= 0, iat=1679,1673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 99 ADE H8 99 ADE H5' 4.60
&rst
ixpk= 0, nxpk= 0, iat=1679,1670, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 99 ADE H8 99 ADE H5" 5.00
&rst
ixpk= 0, nxpk= 0, iat=1679,1671, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ADE H8 99 ADE H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1679,1694, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 99 ADE H8 99 ADE H2" 3.20
&rst
ixpk= 0, nxpk= 0, iat=1679,1695, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 99 ADE H1' 99 ADE H3' 4.20
&rst
ixpk= 0, nxpk= 0, iat=1676,1692, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 99 ADE H1' 99 ADE H4' 3.80
&rst
ixpk= 0, nxpk= 0, iat=1676,1673, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 99 ADE H1' 99 ADE H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1676,1694, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ADE H1' 99 ADE H2" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1676,1695, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 99 ADE H8 100 ADE H2' 4.70
&rst
ixpk= 0, nxpk= 0, iat=1679,1726, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 99 ADE H1' 100 ADE H5' 4.30
&rst
ixpk= 0, nxpk= 0, iat=1676,1702, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 100 ADE H8 100 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1711,1708, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 ADE H8 100 ADE H3' 4.30
&rst
ixpk= 0, nxpk= 0, iat=1711,1724, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 100 ADE H8 100 ADE H4' 5.20
&rst
ixpk= 0, nxpk= 0, iat=1711,1705, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 100 ADE H8 100 ADE H5' 4.60
&rst
ixpk= 0, nxpk= 0, iat=1711,1702, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 100 ADE H8 100 ADE H5" 5.50
&rst
ixpk= 0, nxpk= 0, iat=1711,1703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ADE H8 100 ADE H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat=1711,1726, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 100 ADE H8 100 ADE H2" 3.80
&rst
ixpk= 0, nxpk= 0, iat=1711,1727, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 100 ADE H1' 100 ADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 ADE H1' 100 ADE H4' 3.80
&rst
ixpk= 0, nxpk= 0, iat=1708,1705, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 100 ADE H1' 100 ADE H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1708,1726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ADE H1' 100 ADE H2" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1708,1727, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 100 ADE H3' 100 ADE H4' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1724,1705, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ADE H3' 100 ADE H5' 3.80
&rst
ixpk= 0, nxpk= 0, iat=1724,1702, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 100 ADE H3' 100 ADE H5" 3.00
&rst
ixpk= 0, nxpk= 0, iat=1724,1703, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ADE H3' 100 ADE H2' 2.60
&rst
ixpk= 0, nxpk= 0, iat=1724,1726, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 100 ADE H3' 100 ADE H2" 3.00
&rst
ixpk= 0, nxpk= 0, iat=1724,1727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ADE H8 99 ADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1711,1676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 ADE H8 99 ADE H5" 5.50
&rst
ixpk= 0, nxpk= 0, iat=1711,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ADE H8 99 ADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1711,1694, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ADE H8 99 ADE H2" 3.00
&rst
ixpk= 0, nxpk= 0, iat=1711,1695, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ADE H1' 101 ADE H5' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1708,1734, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ADE H1' 101 ADE H5" 2.50
&rst
ixpk= 0, nxpk= 0, iat=1708,1735, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 101 ADE H8 101 ADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1740, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 ADE H8 101 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1743,1756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ADE H8 101 ADE H5' 4.80
&rst
ixpk= 0, nxpk= 0, iat=1743,1734, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 101 ADE H8 101 ADE H5" 5.30
&rst
ixpk= 0, nxpk= 0, iat=1743,1735, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 101 ADE H8 101 ADE H2' 2.30
&rst
ixpk= 0, nxpk= 0, iat=1743,1758, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 101 ADE H8 101 ADE H2" 3.80
&rst
ixpk= 0, nxpk= 0, iat=1743,1759, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 ADE H1' 101 ADE H5" 4.40
&rst
ixpk= 0, nxpk= 0, iat=1740,1735, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 101 ADE H8 100 ADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 ADE H8 100 ADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 ADE H8 100 ADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 ADE H8 100 ADE H2" 3.50
&rst
ixpk= 0, nxpk= 0, iat=1743,1727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
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