NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
572992 |
2mao   |
19366 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 4 GLN HA 5 LEU H 3.18
&rst
ixpk= 0, nxpk= 0, iat= 49, 64, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 4 GLN HA 5 LEU HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 49, 66, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 4 GLN HB2 5 LEU HG 5.08
&rst
ixpk= 0, nxpk= 0, iat= 51, 71, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 4 GLN HB3 5 LEU HB2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 52, 68, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 5 LEU H 5 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 77, 78, 79,
&end
#
# 5 LEU H 6 THR H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 64, 83, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 5 LEU HA 5 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 77, 78, 79,
&end
#
# 5 LEU HA 8 GLN HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 66, 114, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 5 LEU HA 9 VAL HB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 66, 130, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 5 LEU HA 9 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 132, 133, 134,
&end
#
# 5 LEU HA 9 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 136, 137, 138,
&end
#
# 5 LEU HB2 5 LEU QD2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 77, 78, 79,
&end
#
# 5 LEU HB2 6 THR H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 68, 83, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 5 LEU HB2 9 VAL H 6.30
&rst
ixpk= 0, nxpk= 0, iat= 68, 126, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 5 LEU HB2 9 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 132, 133, 134,
&end
#
# 5 LEU HB3 10 LEU H 5.40
&rst
ixpk= 0, nxpk= 0, iat= 69, 142, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 5 LEU HB3 5 LEU QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 73, 74, 75,
&end
#
# 5 LEU HB3 5 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 77, 78, 79,
&end
#
# 5 LEU HB3 6 THR H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 69, 83, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 5 LEU HB3 6 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 69, 85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 LEU HB3 9 VAL QG1 5.17
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 132, 133, 134,
&end
#
# 5 LEU HB3 9 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 136, 137, 138,
&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 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 73, 74, 75,
igr2= 136, 137, 138,
&end
#
# 5 LEU QD2 6 THR H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 77, 78, 79,
&end
#
# 6 THR H 6 THR HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 87, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 THR H 7 ASP H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 83, 97, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 6 THR H 8 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 83, 109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 THR H 8 GLN HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 83, 114, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 6 THR H 9 VAL H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 83, 126, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 6 THR H 9 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 132, 133, 134,
&end
#
# 6 THR HA 6 THR QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 89, 90, 91,
&end
#
# 6 THR HA 7 ASP H 3.05
&rst
ixpk= 0, nxpk= 0, iat= 85, 97, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 6 THR HA 8 GLN H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 85, 109, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 6 THR HA 9 VAL H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 85, 126, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 6 THR HB 7 ASP H 3.36
&rst
ixpk= 0, nxpk= 0, iat= 87, 97, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 6 THR HB 8 GLN H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 87, 109, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 6 THR QG2 10 LEU HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 89, 90, 91,
&end
#
# 6 THR QG2 10 LEU QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 89, 90, 91,
igr2= 151, 152, 153,
&end
#
# 6 THR QG2 10 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= 89, 90, 91,
igr2= 155, 156, 157,
&end
#
# 6 THR QG2 7 ASP H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 89, 90, 91,
&end
#
# 6 THR QG2 7 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 89, 90, 91,
&end
#
# 6 THR QG2 8 GLN H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 89, 90, 91,
&end
#
# 6 THR QG2 9 VAL H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 89, 90, 91,
&end
#
# 7 ASP H 7 ASP HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 97, 101, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 7 ASP H 7 ASP HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 97, 102, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 7 ASP H 8 GLN H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 97, 109, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 7 ASP H 8 GLN HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 97, 114, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 7 ASP H 9 VAL H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 97, 126, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 7 ASP HA 10 LEU H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 99, 142, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 7 ASP HA 10 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 155, 156, 157,
&end
#
# 7 ASP HA 11 VAL H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 99, 161, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 7 ASP HA 11 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 171, 172, 173,
&end
#
# 7 ASP HA 25 LEU QD1 3.25
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 401, 402, 403,
&end
#
# 7 ASP HA 25 LEU QD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 405, 406, 407,
&end
#
# 7 ASP HA 8 GLN HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 99, 111, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &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 25 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 401, 402, 403,
&end
#
# 7 ASP HB2 70 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASP HB2 70 PHE QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1108,1116,
&end
#
# 7 ASP HB2 71 TYR H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 101,1120, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 7 ASP HB2 71 TYR HA 5.95
&rst
ixpk= 0, nxpk= 0, iat= 101,1122, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 7 ASP HB2 8 GLN H 4.42
&rst
ixpk= 0, nxpk= 0, iat= 101, 109, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 7 ASP HB3 11 VAL QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 171, 172, 173,
&end
#
# 7 ASP HB3 25 LEU QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 401, 402, 403,
&end
#
# 7 ASP HB3 70 PHE HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 102,1104, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 7 ASP HB3 70 PHE HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 102,1105, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 7 ASP HB3 70 PHE QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1108,1116,
&end
#
# 7 ASP HB3 8 GLN H 4.12
&rst
ixpk= 0, nxpk= 0, iat= 102, 109, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 8 GLN H 10 LEU H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 109, 142, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 8 GLN H 11 VAL H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 109, 161, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &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 25 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 401, 402, 403,
&end
#
# 8 GLN H 8 GLN HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 109, 113, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 8 GLN H 8 GLN HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 109, 114, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 8 GLN H 8 GLN HE21 5.08
&rst
ixpk= 0, nxpk= 0, iat= 109, 122, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 8 GLN H 8 GLN HG3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 109, 117, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 8 GLN H 9 VAL H 3.58
&rst
ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 8 GLN H 9 VAL HB 5.80
&rst
ixpk= 0, nxpk= 0, iat= 109, 130, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 8 GLN H 9 VAL QG1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 132, 133, 134,
&end
#
# 8 GLN HA 8 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 111, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HA 8 GLN HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 8 GLN HA 8 GLN HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 111, 117, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 8 GLN HB2 9 VAL H 4.17
&rst
ixpk= 0, nxpk= 0, iat= 113, 126, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 8 GLN HB2 9 VAL HA 5.63
&rst
ixpk= 0, nxpk= 0, iat= 113, 128, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 8 GLN HB2 9 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 132, 133, 134,
&end
#
# 8 GLN HB3 9 VAL H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 114, 126, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 8 GLN HE21 11 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 122, 165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HE21 11 VAL QG1 5.86
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 167, 168, 169,
&end
#
# 8 GLN HE21 12 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 122, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HE21 12 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 122, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HE21 12 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 122, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HE21 12 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 122, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HE21 12 GLU HG3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 122, 185, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 8 GLN HE21 9 VAL H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 GLN HE22 11 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 167, 168, 169,
&end
#
# 8 GLN HE22 12 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 GLN HG2 8 GLN HE21 3.62
&rst
ixpk= 0, nxpk= 0, iat= 116, 122, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 8 GLN HG2 9 VAL HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 116, 128, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 8 GLN HG2 9 VAL QG1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 116, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 132, 133, 134,
&end
#
# 8 GLN HG3 9 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 132, 133, 134,
&end
#
# 9 VAL H 10 LEU H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 126, 142, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 9 VAL H 11 VAL H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 126, 161, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 9 VAL H 12 GLU H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 126, 177, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 9 VAL H 9 VAL HB 3.06
&rst
ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 9 VAL H 9 VAL QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 132, 133, 134,
&end
#
# 9 VAL H 9 VAL QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 136, 137, 138,
&end
#
# 9 VAL HA 12 GLU H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 128, 177, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 9 VAL HA 12 GLU HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 128, 181, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 9 VAL HA 12 GLU HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 128, 182, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 9 VAL HA 12 GLU HG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 128, 184, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 9 VAL HA 12 GLU HG3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 128, 185, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 9 VAL HA 13 ARG H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 128, 192, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 9 VAL HA 9 VAL QG1 3.23
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 132, 133, 134,
&end
#
# 9 VAL HA 9 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 136, 137, 138,
&end
#
# 9 VAL HB 10 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 130, 142, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 9 VAL QG1 10 LEU H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 132, 133, 134,
&end
#
# 9 VAL QG1 12 GLU HG3 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 132, 133, 134,
&end
#
# 9 VAL QG1 13 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 132, 133, 134,
&end
#
# 9 VAL QG2 10 LEU H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 10 LEU HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 10 LEU HG 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 12 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 13 ARG H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 13 ARG HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 136, 137, 138,
&end
#
# 9 VAL QG2 13 ARG QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 136, 137, 138,
igr2= 202, 203,
&end
#
# 10 LEU H 10 LEU HB2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &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 QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 151, 152, 153,
&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 3.65
&rst
ixpk= 0, nxpk= 0, iat= 142, 161, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 10 LEU H 11 VAL QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 171, 172, 173,
&end
#
# 10 LEU H 25 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 401, 402, 403,
&end
#
# 10 LEU HA 10 LEU QD1 3.34
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 151, 152, 153,
&end
#
# 10 LEU HA 10 LEU QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 155, 156, 157,
&end
#
# 10 LEU HA 13 ARG QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 202, 203,
&end
#
# 10 LEU HA 21 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 333, 334, 335,
&end
#
# 10 LEU HB2 10 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 155, 156, 157,
&end
#
# 10 LEU HB2 11 VAL H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 146, 161, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 10 LEU HB2 25 LEU HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 146, 396, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 10 LEU HB2 25 LEU QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 401, 402, 403,
&end
#
# 10 LEU HB2 25 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 405, 406, 407,
&end
#
# 10 LEU HB3 10 LEU QD1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 151, 152, 153,
&end
#
# 10 LEU HB3 10 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 155, 156, 157,
&end
#
# 10 LEU HB3 11 VAL H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 147, 161, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 10 LEU HB3 21 ALA QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 333, 334, 335,
&end
#
# 10 LEU HB3 25 LEU QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 405, 406, 407,
&end
#
# 10 LEU HG 11 VAL H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 149, 161, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 10 LEU HG 11 VAL QG2 5.70
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 171, 172, 173,
&end
#
# 10 LEU HG 25 LEU QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 401, 402, 403,
&end
#
# 10 LEU QD1 21 ALA QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 151, 152, 153,
igr2= 333, 334, 335,
&end
#
# 10 LEU QD1 25 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 151, 152, 153,
igr2= 401, 402, 403,
&end
#
# 10 LEU QD2 11 VAL H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 21 ALA HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 21 ALA QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 155, 156, 157,
igr2= 333, 334, 335,
&end
#
# 10 LEU QD2 24 LEU HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 25 LEU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 25 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 25 LEU HG 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 155, 156, 157,
&end
#
# 10 LEU QD2 25 LEU QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 155, 156, 157,
igr2= 401, 402, 403,
&end
#
# 10 LEU QD2 25 LEU QD2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 155, 156, 157,
igr2= 405, 406, 407,
&end
#
# 11 VAL H 11 VAL HB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 161, 165, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 11 VAL H 11 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 167, 168, 169,
&end
#
# 11 VAL H 11 VAL QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 171, 172, 173,
&end
#
# 11 VAL H 12 GLU H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 161, 177, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 11 VAL H 12 GLU HB3 5.91
&rst
ixpk= 0, nxpk= 0, iat= 161, 182, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 11 VAL H 13 ARG H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 161, 192, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 11 VAL H 25 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 401, 402, 403,
&end
#
# 11 VAL H 25 LEU QD2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 405, 406, 407,
&end
#
# 11 VAL HA 11 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 171, 172, 173,
&end
#
# 11 VAL HA 12 GLU HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 163, 179, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 11 VAL HA 25 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 401, 402, 403,
&end
#
# 11 VAL HB 12 GLU H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 11 VAL HB 15 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 165, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HB 64 PHE QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1024,1032,
&end
#
# 11 VAL HB 64 PHE QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1026,1030,
&end
#
# 11 VAL QG1 12 GLU H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 12 GLU HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 12 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 12 GLU HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 14 VAL HB 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 14 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 167, 168, 169,
igr2= 222, 223, 224,
&end
#
# 11 VAL QG1 15 GLN HE21 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 15 GLN HE22 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 15 GLN HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 15 GLN HG3 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 61 LEU HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 61 LEU HG 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 61 LEU QD2 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 167, 168, 169,
igr2= 987, 988, 989,
&end
#
# 11 VAL QG1 62 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 64 PHE H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 64 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 64 PHE HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 64 PHE HZ 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 167, 168, 169,
&end
#
# 11 VAL QG1 64 PHE QD 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 167, 168, 169,
igr2=1024,1032,
&end
#
# 11 VAL QG1 64 PHE QE 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 167, 168, 169,
igr2=1026,1030,
&end
#
# 11 VAL QG1 70 PHE QE 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 167, 168, 169,
igr2=1110,1114,
&end
#
# 11 VAL QG2 12 GLU H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 12 GLU HG3 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 13 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 14 VAL H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 14 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 171, 172, 173,
igr2= 222, 223, 224,
&end
#
# 11 VAL QG2 14 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 171, 172, 173,
igr2= 226, 227, 228,
&end
#
# 11 VAL QG2 25 LEU HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 25 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 171, 172, 173,
igr2= 401, 402, 403,
&end
#
# 11 VAL QG2 61 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 61 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 171, 172, 173,
igr2= 983, 984, 985,
&end
#
# 11 VAL QG2 61 LEU QD2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 171, 172, 173,
igr2= 987, 988, 989,
&end
#
# 11 VAL QG2 64 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 64 PHE QD 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 171, 172, 173,
igr2=1024,1032,
&end
#
# 11 VAL QG2 64 PHE QE 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 171, 172, 173,
igr2=1026,1030,
&end
#
# 11 VAL QG2 70 PHE HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 70 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 70 PHE HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 171, 172, 173,
&end
#
# 11 VAL QG2 70 PHE QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 171, 172, 173,
igr2=1108,1116,
&end
#
# 11 VAL QG2 70 PHE QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
igr2=1110,1114,
&end
#
# 12 GLU H 12 GLU HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &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 3.72
&rst
ixpk= 0, nxpk= 0, iat= 177, 184, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 12 GLU H 12 GLU HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 177, 185, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 12 GLU H 14 VAL H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 177, 216, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 12 GLU HA 12 GLU HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 179, 184, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 12 GLU HA 12 GLU HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 179, 185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 12 GLU HA 15 GLN H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 179, 232, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 12 GLU HA 15 GLN HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 179, 236, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 12 GLU HB2 15 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLU HB2 16 LYS QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 262, 263,
&end
#
# 12 GLU HB3 13 ARG H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 182, 192, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 12 GLU HB3 16 LYS QE 4.57
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 262, 263,
&end
#
# 12 GLU HG2 13 ARG H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 184, 192, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 12 GLU HG2 16 LYS QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 262, 263,
&end
#
# 12 GLU HG3 13 ARG H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 185, 192, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 13 ARG H 13 ARG HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 192, 196, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 13 ARG H 13 ARG HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 192, 197, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 13 ARG H 13 ARG QD 4.56
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 202, 203,
&end
#
# 13 ARG H 14 VAL H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 192, 216, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 13 ARG H 14 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 222, 223, 224,
&end
#
# 13 ARG H 21 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 333, 334, 335,
&end
#
# 13 ARG HA 13 ARG QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 202, 203,
&end
#
# 13 ARG HA 13 ARG QG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 199, 200,
&end
#
# 13 ARG HA 14 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 ARG HA 16 LYS H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 194, 249, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 13 ARG HA 16 LYS HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 194, 254, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 13 ARG HA 16 LYS HD3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 194, 260, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 13 ARG HA 18 ASP H 5.12
&rst
ixpk= 0, nxpk= 0, iat= 194, 278, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 13 ARG HA 18 ASP HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 194, 282, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 13 ARG HA 21 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 333, 334, 335,
&end
#
# 13 ARG HB2 13 ARG QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 202, 203,
&end
#
# 13 ARG HB2 14 VAL H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 196, 216, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 13 ARG HB2 18 ASP HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 196, 282, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 13 ARG HB2 18 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196, 283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ARG HB2 21 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 333, 334, 335,
&end
#
# 13 ARG HB3 13 ARG QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 202, 203,
&end
#
# 13 ARG HB3 21 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 333, 334, 335,
&end
#
# 13 ARG QD 14 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 202, 203,
igr2= 222, 223, 224,
&end
#
# 13 ARG QD 18 ASP HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 202, 203,
&end
#
# 13 ARG QD 18 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 202, 203,
&end
#
# 13 ARG QD 21 ALA QB 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 202, 203,
igr2= 333, 334, 335,
&end
#
# 13 ARG QG 14 VAL H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 199, 200,
&end
#
# 13 ARG QG 14 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 199, 200,
igr2= 222, 223, 224,
&end
#
# 13 ARG QG 18 ASP H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 199, 200,
&end
#
# 13 ARG QG 18 ASP HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 199, 200,
&end
#
# 13 ARG QG 18 ASP HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 199, 200,
&end
#
# 13 ARG QG 20 LYS QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 199, 200,
igr2= 320, 321,
&end
#
# 13 ARG QG 21 ALA QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 199, 200,
igr2= 333, 334, 335,
&end
#
# 14 VAL H 14 VAL HB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 216, 220, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 14 VAL H 14 VAL QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 222, 223, 224,
&end
#
# 14 VAL H 14 VAL QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 226, 227, 228,
&end
#
# 14 VAL H 15 GLN H 3.44
&rst
ixpk= 0, nxpk= 0, iat= 216, 232, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 14 VAL H 15 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 216, 234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL H 15 GLN HG2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 216, 239, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 14 VAL H 16 LYS H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 216, 249, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 14 VAL H 18 ASP HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 216, 282, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 14 VAL H 18 ASP HB3 5.67
&rst
ixpk= 0, nxpk= 0, iat= 216, 283, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 14 VAL H 21 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 333, 334, 335,
&end
#
# 14 VAL H 25 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 405, 406, 407,
&end
#
# 14 VAL H 61 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 987, 988, 989,
&end
#
# 14 VAL HA 14 VAL QG1 3.51
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 222, 223, 224,
&end
#
# 14 VAL HA 14 VAL QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 226, 227, 228,
&end
#
# 14 VAL HA 15 GLN HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 218, 234, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 14 VAL HA 16 LYS H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 218, 249, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 14 VAL HA 17 GLY H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 218, 271, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 14 VAL HA 18 ASP H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 218, 278, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 14 VAL HA 18 ASP HB2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 218, 282, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 14 VAL HA 18 ASP HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 218, 283, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 14 VAL HA 21 ALA QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 333, 334, 335,
&end
#
# 14 VAL HA 22 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 VAL HB 15 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 232, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 VAL HB 21 ALA QB 5.40
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 333, 334, 335,
&end
#
# 14 VAL HB 22 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 347, 355,
&end
#
# 14 VAL HB 25 LEU QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 405, 406, 407,
&end
#
# 14 VAL HB 61 LEU QD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 987, 988, 989,
&end
#
# 14 VAL QG1 15 GLN H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 18 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 18 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 18 ASP HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 19 GLN HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 20 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 222, 223, 224,
igr2= 320, 321,
&end
#
# 14 VAL QG1 21 ALA H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 21 ALA QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 222, 223, 224,
igr2= 333, 334, 335,
&end
#
# 14 VAL QG1 22 PHE H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 22 PHE HA 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 22 PHE HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 22 PHE HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 22 PHE QD 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 222, 223, 224,
igr2= 347, 355,
&end
#
# 14 VAL QG1 22 PHE QE 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 222, 223, 224,
igr2= 349, 353,
&end
#
# 14 VAL QG1 23 ASN H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 25 LEU HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 25 LEU QD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 222, 223, 224,
igr2= 405, 406, 407,
&end
#
# 14 VAL QG1 58 TYR QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 222, 223, 224,
igr2= 927, 936,
&end
#
# 14 VAL QG1 58 TYR QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 222, 223, 224,
igr2= 929, 934,
&end
#
# 14 VAL QG1 61 LEU HG 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 222, 223, 224,
&end
#
# 14 VAL QG1 61 LEU QD1 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 222, 223, 224,
igr2= 983, 984, 985,
&end
#
# 14 VAL QG1 61 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 222, 223, 224,
igr2= 987, 988, 989,
&end
#
# 14 VAL QG2 15 GLN H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 15 GLN HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 15 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 15 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 17 GLY H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 18 ASP H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 19 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 21 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 226, 227, 228,
igr2= 333, 334, 335,
&end
#
# 14 VAL QG2 22 PHE HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 22 PHE HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 22 PHE QD 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 226, 227, 228,
igr2= 347, 355,
&end
#
# 14 VAL QG2 22 PHE QE 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 226, 227, 228,
igr2= 349, 353,
&end
#
# 14 VAL QG2 25 LEU QD2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 226, 227, 228,
igr2= 405, 406, 407,
&end
#
# 14 VAL QG2 58 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 58 TYR QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 226, 227, 228,
igr2= 927, 936,
&end
#
# 14 VAL QG2 58 TYR QE 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 226, 227, 228,
igr2= 929, 934,
&end
#
# 14 VAL QG2 61 LEU HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 226, 227, 228,
&end
#
# 14 VAL QG2 61 LEU QD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 226, 227, 228,
igr2= 987, 988, 989,
&end
#
# 15 GLN H 15 GLN HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 15 GLN H 15 GLN HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 232, 237, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 15 GLN H 15 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN H 15 GLN HG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 232, 239, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 15 GLN H 15 GLN HG3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 232, 240, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 15 GLN H 16 LYS H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 232, 249, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 15 GLN H 17 GLY H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 232, 271, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 15 GLN H 18 ASP H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 232, 278, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &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 HA 15 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 234, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HA 15 GLN HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 234, 239, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 15 GLN HA 15 GLN HG3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 15 GLN HA 17 GLY H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 234, 271, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 15 GLN HA 62 ASP HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 234, 995, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 15 GLN HB2 15 GLN HE21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 GLN HB2 16 LYS H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 GLN HB2 16 LYS HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 236, 251, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 15 GLN HB2 16 LYS QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 262, 263,
&end
#
# 15 GLN HE21 61 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 245, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HE21 62 ASP HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 245, 995, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 15 GLN HE21 63 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 245,1005, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HE21 64 PHE H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 245,1016, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 15 GLN HE21 64 PHE HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 245,1021, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 15 GLN HE21 64 PHE QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1024,1032,
&end
#
# 15 GLN HE22 62 ASP HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 244, 995, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 15 GLN HE22 64 PHE H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 244,1016, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 15 GLN HE22 64 PHE HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 244,1020, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 15 GLN HE22 64 PHE HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 244,1021, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 15 GLN HE22 64 PHE QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1024,1032,
&end
#
# 15 GLN HE22 65 ARG 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 HG2 16 LYS H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 239, 249, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 15 GLN HG2 61 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HG2 61 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 987, 988, 989,
&end
#
# 15 GLN HG2 62 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLN HG3 15 GLN HE21 4.08
&rst
ixpk= 0, nxpk= 0, iat= 240, 245, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 15 GLN HG3 61 LEU HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 240, 979, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 15 GLN HG3 61 LEU QD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 987, 988, 989,
&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
#
# 15 GLN HG3 62 ASP QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 997, 998,
&end
#
# 16 LYS H 16 LYS HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 16 LYS H 16 LYS HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat= 249, 254, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 16 LYS H 16 LYS HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 249, 259, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 16 LYS H 16 LYS HD3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 249, 260, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 16 LYS H 16 LYS HG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 249, 256, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 16 LYS H 16 LYS HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 249, 257, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 16 LYS H 17 GLY H 3.34
&rst
ixpk= 0, nxpk= 0, iat= 249, 271, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 16 LYS H 18 ASP H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 249, 278, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 16 LYS HA 16 LYS HD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 251, 259, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 16 LYS HA 16 LYS HD3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 251, 260, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 16 LYS HA 16 LYS HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 251, 256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LYS HA 16 LYS HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 251, 257, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 16 LYS HA 17 GLY HA3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 251, 274, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 16 LYS HA 18 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 251, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LYS HB2 16 LYS HD3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 16 LYS HB2 16 LYS QE 5.12
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 262, 263,
&end
#
# 16 LYS HB2 17 GLY H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 253, 271, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 16 LYS HB3 17 GLY H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 LYS HG2 17 GLY H 5.68
&rst
ixpk= 0, nxpk= 0, iat= 256, 271, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 16 LYS HG3 16 LYS HD2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 LYS HG3 16 LYS QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 262, 263,
&end
#
# 16 LYS HG3 17 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 257, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLY H 18 ASP H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 271, 278, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 17 GLY H 18 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 GLY H 18 ASP HB3 5.70
&rst
ixpk= 0, nxpk= 0, iat= 271, 283, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 18 ASP H 18 ASP HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 18 ASP H 18 ASP HB3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 18 ASP H 19 GLN H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 278, 290, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 18 ASP H 21 ALA H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 278, 329, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 18 ASP H 21 ALA QB 5.37
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 333, 334, 335,
&end
#
# 18 ASP HA 19 GLN H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 18 ASP HA 20 LYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 280, 307, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 18 ASP HA 21 ALA H 5.09
&rst
ixpk= 0, nxpk= 0, iat= 280, 329, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 18 ASP HB2 19 GLN H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 282, 290, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 18 ASP HB2 20 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ASP HB2 20 LYS QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 317, 318,
&end
#
# 18 ASP HB2 20 LYS QE 3.71
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 320, 321,
&end
#
# 18 ASP HB2 21 ALA H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 282, 329, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 18 ASP HB2 21 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 333, 334, 335,
&end
#
# 18 ASP HB3 20 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 283, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ASP HB3 20 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 283, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ASP HB3 21 ALA H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 283, 329, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 18 ASP HB3 21 ALA QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 333, 334, 335,
&end
#
# 19 GLN H 19 GLN HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 19 GLN H 19 GLN HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 290, 295, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 19 GLN H 19 GLN HG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 290, 297, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 19 GLN H 19 GLN HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 290, 298, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 19 GLN H 21 ALA H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 290, 329, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 19 GLN HA 19 GLN HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 19 GLN HA 19 GLN HG3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 292, 298, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 19 GLN HA 21 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 333, 334, 335,
&end
#
# 19 GLN HA 22 PHE H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 292, 339, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 GLN HA 22 PHE HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 292, 343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 GLN HA 22 PHE HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= 292, 344, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 19 GLN HA 58 TYR QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 929, 934,
&end
#
# 19 GLN HB2 19 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 294, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLN HB2 20 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 294, 307, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 GLN HB3 20 LYS H 4.37
&rst
ixpk= 0, nxpk= 0, iat= 295, 307, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 19 GLN HB3 58 TYR QE 5.42
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 929, 934,
&end
#
# 19 GLN HE22 23 ASN H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 302, 359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 19 GLN HG2 58 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 927, 936,
&end
#
# 19 GLN HG2 58 TYR QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 929, 934,
&end
#
# 19 GLN QG 20 LYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 297, 298,
&end
#
# 20 LYS H 20 LYS HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LYS H 20 LYS HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 20 LYS H 20 LYS HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 20 LYS H 20 LYS HG3 4.32
&rst
ixpk= 0, nxpk= 0, iat= 307, 315, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 20 LYS H 20 LYS QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 317, 318,
&end
#
# 20 LYS H 21 ALA H 3.15
&rst
ixpk= 0, nxpk= 0, iat= 307, 329, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 20 LYS H 22 PHE H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 307, 339, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 20 LYS HA 20 LYS HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 309, 315, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 20 LYS HA 20 LYS QD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 317, 318,
&end
#
# 20 LYS HA 23 ASN HD21 4.70
&rst
ixpk= 0, nxpk= 0, iat= 309, 369, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 20 LYS HA 23 ASN HD22 5.65
&rst
ixpk= 0, nxpk= 0, iat= 309, 368, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 20 LYS HB2 20 LYS QD 3.68
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 317, 318,
&end
#
# 20 LYS HB2 20 LYS QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 320, 321,
&end
#
# 20 LYS HB2 21 ALA H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 311, 329, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 20 LYS HB3 20 LYS QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 317, 318,
&end
#
# 20 LYS HB3 20 LYS QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 320, 321,
&end
#
# 20 LYS HB3 21 ALA H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 312, 329, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 20 LYS HB3 21 ALA HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= 312, 331, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 20 LYS HG2 20 LYS QD 2.92
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 317, 318,
&end
#
# 20 LYS HG2 20 LYS QE 3.76
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 320, 321,
&end
#
# 20 LYS HG2 21 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LYS HG3 20 LYS QE 3.86
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 320, 321,
&end
#
# 20 LYS HG3 21 ALA H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 315, 329, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 20 LYS QD 24 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 317, 318,
igr2= 382, 383, 384,
&end
#
# 21 ALA H 21 ALA QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 333, 334, 335,
&end
#
# 21 ALA H 22 PHE H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 329, 339, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 21 ALA H 22 PHE HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 329, 343, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 ALA H 24 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 382, 383, 384,
&end
#
# 21 ALA HA 24 LEU H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 331, 373, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 ALA HA 24 LEU HG 4.02
&rst
ixpk= 0, nxpk= 0, iat= 331, 380, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 21 ALA HA 24 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 382, 383, 384,
&end
#
# 21 ALA QB 22 PHE H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 333, 334, 335,
&end
#
# 21 ALA QB 22 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 333, 334, 335,
&end
#
# 21 ALA QB 23 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 333, 334, 335,
&end
#
# 21 ALA QB 25 LEU HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 333, 334, 335,
&end
#
# 21 ALA QB 25 LEU QD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 333, 334, 335,
igr2= 405, 406, 407,
&end
#
# 22 PHE H 22 PHE HB2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 22 PHE H 22 PHE HB3 3.36
&rst
ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 22 PHE H 58 TYR QE 5.03
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 929, 934,
&end
#
# 22 PHE HA 22 PHE QD 3.03
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 347, 355,
&end
#
# 22 PHE HA 22 PHE QE 4.36
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 349, 353,
&end
#
# 22 PHE HA 25 LEU HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 341, 396, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 22 PHE HA 25 LEU HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 341, 397, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 22 PHE HA 25 LEU QD2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 405, 406, 407,
&end
#
# 22 PHE HA 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 417, 418, 419,
&end
#
# 22 PHE HA 58 TYR QE 5.02
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 929, 934,
&end
#
# 22 PHE HB2 23 ASN H 4.01
&rst
ixpk= 0, nxpk= 0, iat= 343, 359, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 22 PHE HB2 25 LEU QD2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 405, 406, 407,
&end
#
# 22 PHE HB2 58 TYR QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 927, 936,
&end
#
# 22 PHE HB2 58 TYR QE 3.94
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 929, 934,
&end
#
# 22 PHE HB3 23 ASN H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 344, 359, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 22 PHE HB3 58 TYR QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 927, 936,
&end
#
# 22 PHE HB3 58 TYR QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 929, 934,
&end
#
# 22 PHE HB3 61 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 987, 988, 989,
&end
#
# 22 PHE HZ 26 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 417, 418, 419,
&end
#
# 22 PHE HZ 54 PHE HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 351, 850, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 22 PHE HZ 54 PHE HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 351, 852, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 22 PHE HZ 54 PHE HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 351, 853, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 22 PHE HZ 54 PHE QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 856, 864,
&end
#
# 22 PHE HZ 54 PHE QE 5.51
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 858, 862,
&end
#
# 22 PHE HZ 55 ILE HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 351, 870, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 22 PHE HZ 57 ALA QB 3.43
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 913, 914, 915,
&end
#
# 22 PHE HZ 58 TYR H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 351, 919, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 22 PHE HZ 58 TYR HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 351, 921, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 22 PHE HZ 58 TYR HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 351, 924, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 22 PHE HZ 58 TYR QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 927, 936,
&end
#
# 22 PHE HZ 61 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 351, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 PHE HZ 61 LEU QQD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 22 PHE QD 22 PHE HZ 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 347, 355,
&end
#
# 22 PHE QD 23 ASN H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 347, 355,
&end
#
# 22 PHE QD 23 ASN HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 347, 355,
&end
#
# 22 PHE QD 25 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 347, 355,
igr2= 401, 402, 403,
&end
#
# 22 PHE QD 25 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 347, 355,
igr2= 405, 406, 407,
&end
#
# 22 PHE QD 26 VAL QG1 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 347, 355,
igr2= 417, 418, 419,
&end
#
# 22 PHE QD 58 TYR HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 347, 355,
&end
#
# 22 PHE QD 58 TYR QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 347, 355,
igr2= 927, 936,
&end
#
# 22 PHE QD 58 TYR QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 347, 355,
igr2= 929, 934,
&end
#
# 22 PHE QD 61 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 347, 355,
igr2= 987, 988, 989,
&end
#
# 22 PHE QD 61 LEU QQD 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 347, 355,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 22 PHE QD 70 PHE HZ 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 347, 355,
&end
#
# 22 PHE QE 25 LEU HB2 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 349, 353,
&end
#
# 22 PHE QE 25 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 349, 353,
igr2= 405, 406, 407,
&end
#
# 22 PHE QE 26 VAL QG1 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 349, 353,
igr2= 417, 418, 419,
&end
#
# 22 PHE QE 54 PHE HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 349, 353,
&end
#
# 22 PHE QE 54 PHE HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 349, 353,
&end
#
# 22 PHE QE 55 ILE HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 349, 353,
&end
#
# 22 PHE QE 57 ALA QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 349, 353,
igr2= 913, 914, 915,
&end
#
# 22 PHE QE 58 TYR H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 349, 353,
&end
#
# 22 PHE QE 58 TYR HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 349, 353,
&end
#
# 22 PHE QE 58 TYR HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 349, 353,
&end
#
# 22 PHE QE 58 TYR HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 349, 353,
&end
#
# 22 PHE QE 58 TYR QD 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 349, 353,
igr2= 927, 936,
&end
#
# 22 PHE QE 58 TYR QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 349, 353,
igr2= 929, 934,
&end
#
# 22 PHE QE 61 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 349, 353,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 22 PHE QE 70 PHE HZ 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 349, 353,
&end
#
# 22 PHE QE 70 PHE QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 349, 353,
igr2=1110,1114,
&end
#
# 23 ASN H 23 ASN HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 23 ASN H 23 ASN HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 23 ASN H 24 LEU H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 359, 373, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 23 ASN H 24 LEU QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 382, 383, 384,
&end
#
# 23 ASN H 26 VAL QG1 5.20
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 417, 418, 419,
&end
#
# 23 ASN HA 24 LEU HG 5.32
&rst
ixpk= 0, nxpk= 0, iat= 361, 380, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 23 ASN HA 26 VAL H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 361, 411, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 23 ASN HA 26 VAL QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 417, 418, 419,
&end
#
# 23 ASN HA 27 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 433, 434, 435,
&end
#
# 23 ASN HB2 23 ASN HD21 3.92
&rst
ixpk= 0, nxpk= 0, iat= 363, 369, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 23 ASN HB2 24 LEU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 363, 373, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 23 ASN HB2 24 LEU HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= 363, 375, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 23 ASN HB2 24 LEU HG 4.93
&rst
ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 23 ASN HB2 24 LEU QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 386, 387, 388,
&end
#
# 23 ASN HB2 26 VAL QG1 5.70
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 417, 418, 419,
&end
#
# 23 ASN HB3 24 LEU H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 364, 373, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 23 ASN HB3 24 LEU HG 5.38
&rst
ixpk= 0, nxpk= 0, iat= 364, 380, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 23 ASN HB3 24 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 386, 387, 388,
&end
#
# 23 ASN HB3 26 VAL QG1 5.83
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 417, 418, 419,
&end
#
# 23 ASN HB3 27 VAL QG1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 433, 434, 435,
&end
#
# 23 ASN HD21 24 LEU H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 23 ASN HD21 24 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 386, 387, 388,
&end
#
# 23 ASN HD21 27 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 433, 434, 435,
&end
#
# 23 ASN HD22 24 LEU H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 23 ASN HD22 27 VAL QG1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 433, 434, 435,
&end
#
# 24 LEU H 24 LEU HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 24 LEU H 24 LEU HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &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 3.92
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 382, 383, 384,
&end
#
# 24 LEU H 25 LEU H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 373, 392, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 24 LEU H 25 LEU HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 373, 397, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 24 LEU H 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 417, 418, 419,
&end
#
# 24 LEU H 27 VAL H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 373, 427, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 24 LEU H 27 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 433, 434, 435,
&end
#
# 24 LEU HA 24 LEU HG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 375, 380, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 24 LEU HA 27 VAL H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 375, 427, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 24 LEU HA 27 VAL QG1 3.67
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 433, 434, 435,
&end
#
# 24 LEU HB2 24 LEU QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 382, 383, 384,
&end
#
# 24 LEU HB2 25 LEU H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 377, 392, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 24 LEU HB3 24 LEU QD1 3.47
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 382, 383, 384,
&end
#
# 24 LEU HB3 24 LEU QD2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 386, 387, 388,
&end
#
# 24 LEU HB3 25 LEU H 4.03
&rst
ixpk= 0, nxpk= 0, iat= 378, 392, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 24 LEU HB3 27 VAL H 5.70
&rst
ixpk= 0, nxpk= 0, iat= 378, 427, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 24 LEU HB3 27 VAL QG1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 433, 434, 435,
&end
#
# 24 LEU QD1 25 LEU H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 382, 383, 384,
&end
#
# 25 LEU H 25 LEU HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 25 LEU H 25 LEU HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 LEU H 25 LEU QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
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 3.33
&rst
ixpk= 0, nxpk= 0, iat= 392, 411, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 25 LEU H 26 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 417, 418, 419,
&end
#
# 25 LEU H 27 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 392, 427, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 25 LEU H 28 ARG H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 392, 443, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 25 LEU HA 25 LEU QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 401, 402, 403,
&end
#
# 25 LEU HA 25 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 405, 406, 407,
&end
#
# 25 LEU HA 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 417, 418, 419,
&end
#
# 25 LEU HA 28 ARG HD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 394, 453, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 25 LEU HA 28 ARG HD3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 394, 454, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 25 LEU HA 29 TYR H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 394, 467, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 25 LEU HA 29 TYR QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 475, 484,
&end
#
# 25 LEU HA 29 TYR QE 5.02
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 477, 482,
&end
#
# 25 LEU HB2 25 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 401, 402, 403,
&end
#
# 25 LEU HB2 25 LEU QD2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 405, 406, 407,
&end
#
# 25 LEU HB2 26 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 396, 411, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 25 LEU HB2 26 VAL QG1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 417, 418, 419,
&end
#
# 25 LEU HB3 25 LEU QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 401, 402, 403,
&end
#
# 25 LEU HB3 25 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 405, 406, 407,
&end
#
# 25 LEU HB3 26 VAL H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 397, 411, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 25 LEU HB3 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 417, 418, 419,
&end
#
# 25 LEU HB3 70 PHE QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1110,1114,
&end
#
# 25 LEU HG 26 VAL H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 399, 411, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 25 LEU HG 29 TYR QE 4.60
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 477, 482,
&end
#
# 25 LEU QD1 26 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 25 LEU QD1 26 VAL QG1 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 401, 402, 403,
igr2= 417, 418, 419,
&end
#
# 25 LEU QD1 28 ARG HD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 401, 402, 403,
&end
#
# 25 LEU QD1 28 ARG HD3 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 401, 402, 403,
&end
#
# 25 LEU QD1 29 TYR QD 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 401, 402, 403,
igr2= 475, 484,
&end
#
# 25 LEU QD1 29 TYR QE 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 401, 402, 403,
igr2= 477, 482,
&end
#
# 25 LEU QD1 70 PHE HZ 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 401, 402, 403,
&end
#
# 25 LEU QD1 70 PHE QD 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 401, 402, 403,
igr2=1108,1116,
&end
#
# 25 LEU QD1 70 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 401, 402, 403,
igr2=1110,1114,
&end
#
# 25 LEU QD2 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 405, 406, 407,
igr2= 417, 418, 419,
&end
#
# 25 LEU QD2 28 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 405, 406, 407,
&end
#
# 25 LEU QD2 28 ARG HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 405, 406, 407,
&end
#
# 25 LEU QD2 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= 405, 406, 407,
igr2= 987, 988, 989,
&end
#
# 25 LEU QD2 70 PHE HZ 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 405, 406, 407,
&end
#
# 25 LEU QD2 70 PHE QE 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 405, 406, 407,
igr2=1110,1114,
&end
#
# 26 VAL H 26 VAL HB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 26 VAL H 26 VAL QG1 3.28
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 417, 418, 419,
&end
#
# 26 VAL H 26 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 421, 422, 423,
&end
#
# 26 VAL H 27 VAL H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 411, 427, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 26 VAL H 27 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 411, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HA 26 VAL QG1 3.15
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 417, 418, 419,
&end
#
# 26 VAL HA 26 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 421, 422, 423,
&end
#
# 26 VAL HA 27 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 413, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HA 27 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 433, 434, 435,
&end
#
# 26 VAL HA 29 TYR HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 413, 471, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 26 VAL HA 29 TYR QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 475, 484,
&end
#
# 26 VAL HA 30 GLN H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 413, 488, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 26 VAL HA 30 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 413, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HA 54 PHE HZ 4.26
&rst
ixpk= 0, nxpk= 0, iat= 413, 860, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 26 VAL HA 54 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 858, 862,
&end
#
# 26 VAL HB 27 VAL H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 VAL QG1 27 VAL H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 54 PHE HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 54 PHE HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 54 PHE HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 54 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 417, 418, 419,
&end
#
# 26 VAL QG1 54 PHE QD 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 417, 418, 419,
igr2= 856, 864,
&end
#
# 26 VAL QG1 54 PHE QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 417, 418, 419,
igr2= 858, 862,
&end
#
# 26 VAL QG1 57 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 417, 418, 419,
igr2= 913, 914, 915,
&end
#
# 26 VAL QG2 27 VAL H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 27 VAL HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 27 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 421, 422, 423,
igr2= 433, 434, 435,
&end
#
# 26 VAL QG2 28 ARG H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 29 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 30 GLN H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 30 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 30 GLN HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 30 GLN HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 30 GLN HE21 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 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= 421, 422, 423,
&end
#
# 26 VAL QG2 30 GLN HG2 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 30 GLN HG3 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 54 PHE HZ 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 421, 422, 423,
&end
#
# 26 VAL QG2 54 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 421, 422, 423,
igr2= 858, 862,
&end
#
# 26 VAL QG2 57 ALA QB 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1= 421, 422, 423,
igr2= 913, 914, 915,
&end
#
# 27 VAL H 27 VAL HB 3.60
&rst
ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 27 VAL H 27 VAL QG1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 433, 434, 435,
&end
#
# 27 VAL H 27 VAL QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 437, 438, 439,
&end
#
# 27 VAL HA 27 VAL QG1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 433, 434, 435,
&end
#
# 27 VAL HA 27 VAL QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 437, 438, 439,
&end
#
# 27 VAL HA 28 ARG HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 429, 445, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 27 VAL HA 30 GLN H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 27 VAL HA 30 GLN HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 429, 492, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 27 VAL HA 30 GLN HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 429, 493, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 27 VAL HA 30 GLN HE21 4.42
&rst
ixpk= 0, nxpk= 0, iat= 429, 501, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 27 VAL HA 30 GLN HE22 4.99
&rst
ixpk= 0, nxpk= 0, iat= 429, 500, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 27 VAL HA 30 GLN HG3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 429, 496, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 27 VAL HB 28 ARG H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 431, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 27 VAL QG1 28 ARG H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG1 28 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG1 30 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG1 30 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG1 30 GLN HE22 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 433, 434, 435,
&end
#
# 27 VAL QG2 28 ARG H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 437, 438, 439,
&end
#
# 27 VAL QG2 30 GLN HE22 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 437, 438, 439,
&end
#
# 28 ARG H 28 ARG HB2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 28 ARG H 28 ARG HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 443, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 ARG H 28 ARG HD2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 443, 453, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 28 ARG H 28 ARG HD3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 443, 454, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 28 ARG H 28 ARG HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 443, 450, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 28 ARG H 28 ARG HG3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 443, 451, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 28 ARG H 29 TYR H 3.24
&rst
ixpk= 0, nxpk= 0, iat= 443, 467, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 28 ARG H 29 TYR QD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 475, 484,
&end
#
# 28 ARG H 30 GLN H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 443, 488, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 28 ARG HA 28 ARG HD2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 445, 453, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 28 ARG HA 29 TYR QD 5.22
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 475, 484,
&end
#
# 28 ARG HA 30 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG HA 32 LYS H 5.70
&rst
ixpk= 0, nxpk= 0, iat= 445, 522, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 28 ARG HB2 29 TYR H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 447, 467, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 28 ARG HB2 29 TYR QD 4.64
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 475, 484,
&end
#
# 28 ARG HB3 29 TYR H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 28 ARG HB3 29 TYR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= 448, 469, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 28 ARG HB3 29 TYR QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 475, 484,
&end
#
# 28 ARG HD2 29 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 475, 484,
&end
#
# 28 ARG HD2 29 TYR QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 477, 482,
&end
#
# 28 ARG HD3 29 TYR QD 5.47
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 475, 484,
&end
#
# 28 ARG HD3 29 TYR QE 3.72
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 477, 482,
&end
#
# 28 ARG HG2 29 TYR H 5.01
&rst
ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 28 ARG HG2 29 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 475, 484,
&end
#
# 28 ARG HG2 29 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 477, 482,
&end
#
# 28 ARG HG3 29 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 451, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG HG3 29 TYR QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 475, 484,
&end
#
# 28 ARG HG3 29 TYR QE 4.70
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 477, 482,
&end
#
# 29 TYR H 29 TYR HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 467, 471, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 29 TYR H 29 TYR HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 29 TYR H 29 TYR QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 475, 484,
&end
#
# 29 TYR H 29 TYR QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 477, 482,
&end
#
# 29 TYR H 30 GLN H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 467, 488, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 29 TYR H 30 GLN HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 467, 490, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 29 TYR H 30 GLN HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 467, 492, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 29 TYR H 30 GLN HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 467, 493, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 29 TYR H 54 PHE HZ 4.72
&rst
ixpk= 0, nxpk= 0, iat= 467, 860, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 TYR H 54 PHE QE 5.18
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 858, 862,
&end
#
# 29 TYR H 74 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 29 TYR HA 29 TYR QD 3.07
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 475, 484,
&end
#
# 29 TYR HA 29 TYR QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 477, 482,
&end
#
# 29 TYR HA 32 LYS H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 469, 522, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 29 TYR HA 32 LYS HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 469, 526, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 29 TYR HA 32 LYS HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 469, 527, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 29 TYR HA 32 LYS QD 5.11
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 532, 533,
&end
#
# 29 TYR HA 32 LYS QE 4.60
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 535, 536,
&end
#
# 29 TYR HA 32 LYS QG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 529, 530,
&end
#
# 29 TYR HA 33 VAL H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 469, 544, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 29 TYR HA 33 VAL QG1 5.71
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 550, 551, 552,
&end
#
# 29 TYR HA 54 PHE HZ 4.86
&rst
ixpk= 0, nxpk= 0, iat= 469, 860, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 29 TYR HA 74 LEU QD2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1192,1193,1194,
&end
#
# 29 TYR HB2 30 GLN H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 471, 488, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 29 TYR HB2 33 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 550, 551, 552,
&end
#
# 29 TYR HB2 54 PHE HZ 3.72
&rst
ixpk= 0, nxpk= 0, iat= 471, 860, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 29 TYR HB2 54 PHE QE 3.93
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 858, 862,
&end
#
# 29 TYR HB2 74 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1192,1193,1194,
&end
#
# 29 TYR HB3 30 GLN H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 29 TYR HB3 33 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 472, 544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HB3 33 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 550, 551, 552,
&end
#
# 29 TYR HB3 54 PHE HZ 4.52
&rst
ixpk= 0, nxpk= 0, iat= 472, 860, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 29 TYR HB3 54 PHE QE 5.13
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 858, 862,
&end
#
# 29 TYR HB3 74 LEU QD2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1192,1193,1194,
&end
#
# 29 TYR QD 30 GLN H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 475, 484,
&end
#
# 29 TYR QD 32 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 484,
&end
#
# 29 TYR QD 32 LYS HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 475, 484,
&end
#
# 29 TYR QD 32 LYS QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 475, 484,
igr2= 532, 533,
&end
#
# 29 TYR QD 32 LYS QE 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 475, 484,
igr2= 535, 536,
&end
#
# 29 TYR QD 32 LYS QG 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 475, 484,
igr2= 529, 530,
&end
#
# 29 TYR QD 33 VAL H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 475, 484,
&end
#
# 29 TYR QD 33 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= 475, 484,
igr2= 550, 551, 552,
&end
#
# 29 TYR QD 70 PHE QD 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 475, 484,
igr2=1108,1116,
&end
#
# 29 TYR QD 70 PHE QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 475, 484,
igr2=1110,1114,
&end
#
# 29 TYR QD 71 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 475, 484,
&end
#
# 29 TYR QD 74 LEU QD2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 475, 484,
igr2=1192,1193,1194,
&end
#
# 29 TYR QD 75 TYR QE 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 475, 484,
igr2=1208,1213,
&end
#
# 29 TYR QE 32 LYS QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 477, 482,
igr2= 532, 533,
&end
#
# 29 TYR QE 32 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 477, 482,
igr2= 535, 536,
&end
#
# 29 TYR QE 70 PHE QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 477, 482,
igr2=1108,1116,
&end
#
# 29 TYR QE 71 TYR H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 477, 482,
&end
#
# 29 TYR QE 71 TYR HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 477, 482,
&end
#
# 29 TYR QE 71 TYR HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 477, 482,
&end
#
# 29 TYR QE 74 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 477, 482,
&end
#
# 29 TYR QE 74 LEU QD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 477, 482,
igr2=1192,1193,1194,
&end
#
# 29 TYR QE 75 TYR QD 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 477, 482,
igr2=1206,1215,
&end
#
# 29 TYR QE 75 TYR QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 477, 482,
igr2=1208,1213,
&end
#
# 30 GLN H 30 GLN HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 GLN H 30 GLN HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 30 GLN H 54 PHE HZ 4.09
&rst
ixpk= 0, nxpk= 0, iat= 488, 860, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 30 GLN H 54 PHE QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 858, 862,
&end
#
# 30 GLN HA 30 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 490, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN HA 33 VAL H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 490, 544, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 30 GLN HA 33 VAL QG1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 550, 551, 552,
&end
#
# 30 GLN HA 33 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 554, 555, 556,
&end
#
# 30 GLN HA 50 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 796, 797, 798,
&end
#
# 30 GLN HA 54 PHE HZ 3.26
&rst
ixpk= 0, nxpk= 0, iat= 490, 860, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 30 GLN HA 54 PHE QE 2.96
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 858, 862,
&end
#
# 30 GLN HB2 30 GLN HE21 4.90
&rst
ixpk= 0, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 30 GLN HB2 50 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 796, 797, 798,
&end
#
# 30 GLN HB2 54 PHE QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 858, 862,
&end
#
# 30 GLN HB3 31 HIS QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 509, 510,
&end
#
# 30 GLN HB3 50 VAL QG1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 796, 797, 798,
&end
#
# 30 GLN HB3 54 PHE HZ 4.67
&rst
ixpk= 0, nxpk= 0, iat= 493, 860, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 30 GLN HB3 54 PHE QE 4.12
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 858, 862,
&end
#
# 30 GLN HE21 50 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 796, 797, 798,
&end
#
# 30 GLN HE21 54 PHE HZ 4.51
&rst
ixpk= 0, nxpk= 0, iat= 501, 860, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 30 GLN HE21 54 PHE QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 856, 864,
&end
#
# 30 GLN HE22 50 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 796, 797, 798,
&end
#
# 30 GLN HE22 54 PHE QE 5.01
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 858, 862,
&end
#
# 30 GLN HG2 31 HIS HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 495, 507, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 30 GLN HG2 31 HIS QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 509, 510,
&end
#
# 30 GLN HG2 50 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 796, 797, 798,
&end
#
# 30 GLN HG2 54 PHE HZ 5.14
&rst
ixpk= 0, nxpk= 0, iat= 495, 860, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 30 GLN HG2 54 PHE QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 858, 862,
&end
#
# 30 GLN HG3 30 GLN HE21 4.00
&rst
ixpk= 0, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 GLN HG3 33 VAL QG1 6.10
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 550, 551, 552,
&end
#
# 30 GLN HG3 50 VAL QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 796, 797, 798,
&end
#
# 30 GLN HG3 54 PHE QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 858, 862,
&end
#
# 31 HIS H 32 LYS H 4.69
&rst
ixpk= 0, nxpk= 0, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 31 HIS HA 34 ALA QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 564, 565, 566,
&end
#
# 31 HIS HA 35 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 HIS HB3 32 LYS H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 HIS QB 32 LYS H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 509, 510,
&end
#
# 31 HIS QB 32 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 509, 510,
&end
#
# 31 HIS QB 32 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 509, 510,
&end
#
# 31 HIS QB 34 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 509, 510,
igr2= 564, 565, 566,
&end
#
# 32 LYS H 32 LYS HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 32 LYS H 32 LYS QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 535, 536,
&end
#
# 32 LYS H 32 LYS QG 3.58
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 529, 530,
&end
#
# 32 LYS H 33 VAL H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 32 LYS H 33 VAL QG1 5.65
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 550, 551, 552,
&end
#
# 32 LYS HA 32 LYS QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 535, 536,
&end
#
# 32 LYS HA 32 LYS QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 529, 530,
&end
#
# 32 LYS HA 33 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 524, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LYS HA 34 ALA H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 524, 560, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 32 LYS HA 35 SER HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 524, 575, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 32 LYS HA 75 TYR QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1208,1213,
&end
#
# 32 LYS HB2 33 VAL H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 526, 544, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 32 LYS HB2 75 TYR QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1208,1213,
&end
#
# 32 LYS HB3 32 LYS QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 535, 536,
&end
#
# 32 LYS HB3 33 VAL H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 527, 544, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 32 LYS HB3 33 VAL QG1 5.95
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr2= 550, 551, 552,
&end
#
# 32 LYS HB3 75 TYR QE 3.86
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1208,1213,
&end
#
# 32 LYS QD 75 TYR QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 532, 533,
igr2=1208,1213,
&end
#
# 32 LYS QG 33 VAL H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 529, 530,
&end
#
# 32 LYS QG 75 TYR QE 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 529, 530,
igr2=1208,1213,
&end
#
# 33 VAL H 33 VAL HB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 33 VAL H 33 VAL QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 550, 551, 552,
&end
#
# 33 VAL H 33 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 554, 555, 556,
&end
#
# 33 VAL H 34 ALA H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 544, 560, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 33 VAL H 34 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 564, 565, 566,
&end
#
# 33 VAL H 36 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 VAL H 54 PHE HZ 5.15
&rst
ixpk= 0, nxpk= 0, iat= 544, 860, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 33 VAL H 54 PHE QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 858, 862,
&end
#
# 33 VAL H 75 TYR QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1208,1213,
&end
#
# 33 VAL HA 33 VAL QG1 3.25
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 550, 551, 552,
&end
#
# 33 VAL HA 33 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 554, 555, 556,
&end
#
# 33 VAL HA 34 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 564, 565, 566,
&end
#
# 33 VAL HA 35 SER HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 546, 575, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 33 VAL HA 36 LEU H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 546, 581, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 33 VAL HA 36 LEU HG 4.63
&rst
ixpk= 0, nxpk= 0, iat= 546, 588, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 33 VAL HA 36 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 594, 595, 596,
&end
#
# 33 VAL HA 37 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 546, 600, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 33 VAL HA 75 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1206,1215,
&end
#
# 33 VAL HA 75 TYR QE 4.67
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1208,1213,
&end
#
# 33 VAL HA 78 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1266,1267,1268,
&end
#
# 33 VAL HB 34 ALA H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 548, 560, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 33 VAL HB 34 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 564, 565, 566,
&end
#
# 33 VAL HB 35 SER H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 548, 570, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 33 VAL HB 53 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 842, 843, 844,
&end
#
# 33 VAL HB 54 PHE HZ 4.83
&rst
ixpk= 0, nxpk= 0, iat= 548, 860, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 33 VAL HB 54 PHE QE 4.75
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 858, 862,
&end
#
# 33 VAL HB 74 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 33 VAL HB 78 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1266,1267,1268,
&end
#
# 33 VAL QG1 34 ALA H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 54 PHE HZ 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 54 PHE QE 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 550, 551, 552,
igr2= 858, 862,
&end
#
# 33 VAL QG1 74 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 550, 551, 552,
igr2=1192,1193,1194,
&end
#
# 33 VAL QG1 75 TYR HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 75 TYR QD 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 550, 551, 552,
igr2=1206,1215,
&end
#
# 33 VAL QG1 75 TYR QE 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=1208,1213,
&end
#
# 33 VAL QG1 78 ALA HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 550, 551, 552,
&end
#
# 33 VAL QG1 78 ALA QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 550, 551, 552,
igr2=1266,1267,1268,
&end
#
# 33 VAL QG2 34 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 34 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 34 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 554, 555, 556,
igr2= 564, 565, 566,
&end
#
# 33 VAL QG2 35 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 36 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 554, 555, 556,
igr2= 590, 591, 592,
&end
#
# 33 VAL QG2 37 VAL H 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 50 VAL HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 50 VAL QG1 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 554, 555, 556,
igr2= 796, 797, 798,
&end
#
# 33 VAL QG2 50 VAL QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 554, 555, 556,
igr2= 800, 801, 802,
&end
#
# 33 VAL QG2 54 PHE H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 54 PHE HZ 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 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= 554, 555, 556,
igr2= 856, 864,
&end
#
# 33 VAL QG2 54 PHE QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 554, 555, 556,
igr2= 858, 862,
&end
#
# 33 VAL QG2 74 LEU QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 554, 555, 556,
igr2=1188,1189,1190,
&end
#
# 33 VAL QG2 74 LEU QD2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 554, 555, 556,
igr2=1192,1193,1194,
&end
#
# 33 VAL QG2 75 TYR HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 78 ALA HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 554, 555, 556,
&end
#
# 33 VAL QG2 78 ALA QB 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 554, 555, 556,
igr2=1266,1267,1268,
&end
#
# 34 ALA H 34 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 564, 565, 566,
&end
#
# 34 ALA H 35 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 560, 570, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 34 ALA H 35 SER HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 560, 574, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 34 ALA H 35 SER HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 560, 575, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 34 ALA H 36 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ALA H 46 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 742, 743, 744,
&end
#
# 34 ALA H 50 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 796, 797, 798,
&end
#
# 34 ALA H 50 VAL QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 800, 801, 802,
&end
#
# 34 ALA H 54 PHE QE 5.60
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 858, 862,
&end
#
# 34 ALA H 78 ALA QB 5.42
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1266,1267,1268,
&end
#
# 34 ALA HA 36 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 562, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ALA HA 37 VAL H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 562, 600, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 34 ALA HA 37 VAL HB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 562, 604, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 34 ALA HA 37 VAL QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 606, 607, 608,
&end
#
# 34 ALA HA 46 VAL QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 742, 743, 744,
&end
#
# 34 ALA HA 50 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 562, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ALA HA 50 VAL QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 800, 801, 802,
&end
#
# 34 ALA HA 78 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1266,1267,1268,
&end
#
# 34 ALA QB 35 SER H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 35 SER HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 35 SER HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 35 SER HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 36 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 37 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 564, 565, 566,
igr2= 610, 611, 612,
&end
#
# 34 ALA QB 46 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 46 VAL QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 564, 565, 566,
igr2= 742, 743, 744,
&end
#
# 34 ALA QB 47 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 47 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 50 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 564, 565, 566,
&end
#
# 34 ALA QB 50 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 564, 565, 566,
igr2= 796, 797, 798,
&end
#
# 34 ALA QB 50 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 565, 566,
igr2= 800, 801, 802,
&end
#
# 34 ALA QB 54 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 564, 565, 566,
igr2= 858, 862,
&end
#
# 35 SER H 35 SER HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 570, 574, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 35 SER H 35 SER HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 35 SER H 36 LEU H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 570, 581, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 35 SER H 37 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 606, 607, 608,
&end
#
# 35 SER H 38 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 570, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 35 SER H 50 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 800, 801, 802,
&end
#
# 35 SER HA 35 SER HB2 2.86
&rst
ixpk= 0, nxpk= 0, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 35 SER HA 38 SER H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 572, 616, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 35 SER HB2 36 LEU H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 35 SER HB3 36 LEU H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 35 SER HB3 36 LEU HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 575, 585, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 35 SER HB3 36 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 SER HB3 36 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 594, 595, 596,
&end
#
# 36 LEU H 36 LEU HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 581, 585, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 36 LEU H 36 LEU HG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 36 LEU H 36 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 590, 591, 592,
&end
#
# 36 LEU H 36 LEU QD2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 594, 595, 596,
&end
#
# 36 LEU H 37 VAL H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 581, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 LEU H 37 VAL HB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 581, 604, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 36 LEU H 37 VAL QG1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 606, 607, 608,
&end
#
# 36 LEU H 38 SER H 4.80
&rst
ixpk= 0, nxpk= 0, iat= 581, 616, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 36 LEU HA 36 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 590, 591, 592,
&end
#
# 36 LEU HA 36 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 594, 595, 596,
&end
#
# 36 LEU HA 37 VAL HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 583, 602, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 36 LEU HA 39 ARG QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 637, 638,
&end
#
# 36 LEU HB2 36 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 594, 595, 596,
&end
#
# 36 LEU HB2 37 VAL H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 585, 600, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 36 LEU HB2 37 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LEU HB2 78 ALA QB 5.80
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1266,1267,1268,
&end
#
# 36 LEU HB2 79 VAL HB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 585,1276, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 36 LEU HB3 36 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 594, 595, 596,
&end
#
# 36 LEU HB3 37 VAL H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 586, 600, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 36 LEU HG 37 VAL H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 588, 600, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 36 LEU HG 37 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 588, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LEU HG 40 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 661, 666,
&end
#
# 36 LEU QD1 37 VAL H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 590, 591, 592,
&end
#
# 36 LEU QD1 37 VAL HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 590, 591, 592,
&end
#
# 36 LEU QD1 78 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 590, 591, 592,
igr2=1266,1267,1268,
&end
#
# 36 LEU QD2 37 VAL H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 37 VAL HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 40 TYR QD 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1= 594, 595, 596,
igr2= 659, 668,
&end
#
# 36 LEU QD2 75 TYR HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 75 TYR HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 75 TYR HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 75 TYR QD 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 594, 595, 596,
igr2=1206,1215,
&end
#
# 36 LEU QD2 76 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 78 ALA QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 594, 595, 596,
igr2=1266,1267,1268,
&end
#
# 36 LEU QD2 79 VAL H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 594, 595, 596,
&end
#
# 36 LEU QD2 79 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 594, 595, 596,
&end
#
# 37 VAL H 37 VAL HB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 37 VAL H 37 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 606, 607, 608,
&end
#
# 37 VAL H 37 VAL QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 610, 611, 612,
&end
#
# 37 VAL H 38 SER H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 600, 616, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 37 VAL H 40 TYR QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 659, 668,
&end
#
# 37 VAL H 78 ALA QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1266,1267,1268,
&end
#
# 37 VAL HA 37 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 610, 611, 612,
&end
#
# 37 VAL HA 38 SER HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 602, 618, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 37 VAL HA 38 SER HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 602, 620, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 37 VAL HA 40 TYR H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 602, 651, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 37 VAL HA 40 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 602, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HA 40 TYR QD 2.96
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 659, 668,
&end
#
# 37 VAL HA 40 TYR QE 5.13
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 661, 666,
&end
#
# 37 VAL HA 41 VAL QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 682, 683, 684,
&end
#
# 37 VAL HA 78 ALA QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1266,1267,1268,
&end
#
# 37 VAL HB 38 SER H 4.49
&rst
ixpk= 0, nxpk= 0, iat= 604, 616, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 37 VAL HB 46 VAL HA 6.20
&rst
ixpk= 0, nxpk= 0, iat= 604, 734, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 37 VAL HB 78 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 604,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HB 82 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1320,1321,1322,
&end
#
# 37 VAL QG1 38 SER H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 38 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 38 SER HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 40 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 606, 607, 608,
igr2= 659, 668,
&end
#
# 37 VAL QG1 41 VAL QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 606, 607, 608,
igr2= 682, 683, 684,
&end
#
# 37 VAL QG1 46 VAL HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 46 VAL HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 606, 607, 608,
&end
#
# 37 VAL QG1 49 VAL QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 606, 607, 608,
igr2= 784, 785, 786,
&end
#
# 37 VAL QG1 78 ALA QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 606, 607, 608,
igr2=1266,1267,1268,
&end
#
# 37 VAL QG1 82 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 606, 607, 608,
igr2=1320,1321,1322,
&end
#
# 37 VAL QG2 39 ARG H 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 40 TYR QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 610, 611, 612,
igr2= 659, 668,
&end
#
# 37 VAL QG2 41 VAL QG2 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 610, 611, 612,
igr2= 682, 683, 684,
&end
#
# 37 VAL QG2 46 VAL HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 46 VAL HB 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 49 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 49 VAL QG1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 610, 611, 612,
igr2= 780, 781, 782,
&end
#
# 37 VAL QG2 49 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 610, 611, 612,
igr2= 784, 785, 786,
&end
#
# 37 VAL QG2 50 VAL H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 610, 611, 612,
&end
#
# 37 VAL QG2 82 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 610, 611, 612,
igr2=1320,1321,1322,
&end
#
# 38 SER H 38 SER HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 38 SER H 38 SER HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 38 SER H 39 ARG H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 38 SER H 41 VAL QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 682, 683, 684,
&end
#
# 38 SER HA 39 ARG HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 618, 629, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 SER HA 40 TYR H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 618, 651, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 38 SER HA 41 VAL H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 618, 672, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 38 SER HA 41 VAL HB 5.39
&rst
ixpk= 0, nxpk= 0, iat= 618, 676, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 38 SER HA 41 VAL QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 682, 683, 684,
&end
#
# 38 SER HA 46 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 618, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 SER HA 46 VAL QG1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 738, 739, 740,
&end
#
# 38 SER HA 46 VAL QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 742, 743, 744,
&end
#
# 38 SER HB2 39 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 SER HB2 41 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 682, 683, 684,
&end
#
# 38 SER HB3 39 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 621, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 SER HB3 41 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 682, 683, 684,
&end
#
# 38 SER HB3 46 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 738, 739, 740,
&end
#
# 39 ARG H 39 ARG HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 39 ARG H 39 ARG HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 39 ARG H 39 ARG HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 627, 634, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 39 ARG H 39 ARG HG3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 627, 635, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 39 ARG H 39 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 637, 638,
&end
#
# 39 ARG H 40 TYR H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 627, 651, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 39 ARG H 40 TYR QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 659, 668,
&end
#
# 39 ARG H 41 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 682, 683, 684,
&end
#
# 39 ARG HA 39 ARG HB2 2.92
&rst
ixpk= 0, nxpk= 0, iat= 629, 631, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 39 ARG HA 39 ARG HG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 629, 634, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 39 ARG HA 39 ARG HG3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 629, 635, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 39 ARG HA 39 ARG QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 637, 638,
&end
#
# 39 ARG HA 40 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 629, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ARG HB2 39 ARG QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 637, 638,
&end
#
# 39 ARG HB2 40 TYR H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 631, 651, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 39 ARG HB2 40 TYR QD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 659, 668,
&end
#
# 39 ARG HB3 40 TYR H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 632, 651, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 39 ARG HB3 40 TYR QD 5.15
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 659, 668,
&end
#
# 39 ARG HB3 40 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 661, 666,
&end
#
# 39 ARG QD 40 TYR QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 637, 638,
igr2= 661, 666,
&end
#
# 40 TYR H 40 TYR HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 40 TYR H 40 TYR QD 3.23
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 659, 668,
&end
#
# 40 TYR H 40 TYR QE 5.02
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 661, 666,
&end
#
# 40 TYR H 41 VAL H 3.26
&rst
ixpk= 0, nxpk= 0, iat= 651, 672, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 40 TYR H 41 VAL QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 678, 679, 680,
&end
#
# 40 TYR H 41 VAL QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 682, 683, 684,
&end
#
# 40 TYR HA 40 TYR QD 3.22
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 659, 668,
&end
#
# 40 TYR HA 40 TYR QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 661, 666,
&end
#
# 40 TYR HA 41 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 678, 679, 680,
&end
#
# 40 TYR HA 41 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 682, 683, 684,
&end
#
# 40 TYR HA 82 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1320,1321,1322,
&end
#
# 40 TYR HA 86 LEU QD1 5.49
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1392,1393,1394,
&end
#
# 40 TYR HB2 41 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 655, 672, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 40 TYR HB2 41 VAL QG1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 678, 679, 680,
&end
#
# 40 TYR HB2 41 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 682, 683, 684,
&end
#
# 40 TYR HB2 82 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1320,1321,1322,
&end
#
# 40 TYR HB2 83 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 655,1334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 TYR HB2 86 LEU QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1392,1393,1394,
&end
#
# 40 TYR HB3 41 VAL H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 656, 672, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 40 TYR HB3 82 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1320,1321,1322,
&end
#
# 40 TYR HB3 86 LEU QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1392,1393,1394,
&end
#
# 40 TYR QD 79 VAL QG1 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 659, 668,
igr2=1278,1279,1280,
&end
#
# 40 TYR QD 79 VAL QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 659, 668,
igr2=1282,1283,1284,
&end
#
# 40 TYR QD 82 ALA QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 659, 668,
igr2=1320,1321,1322,
&end
#
# 40 TYR QD 83 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 659, 668,
&end
#
# 40 TYR QD 83 LYS QD 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 659, 668,
igr2=1336,1337,
&end
#
# 40 TYR QD 86 LEU QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 659, 668,
igr2=1392,1393,1394,
&end
#
# 40 TYR QE 79 VAL HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 661, 666,
&end
#
# 40 TYR QE 79 VAL HB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 661, 666,
&end
#
# 40 TYR QE 79 VAL QG1 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=1278,1279,1280,
&end
#
# 40 TYR QE 79 VAL QG2 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 661, 666,
igr2=1282,1283,1284,
&end
#
# 40 TYR QE 82 ALA QB 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 661, 666,
igr2=1320,1321,1322,
&end
#
# 40 TYR QE 83 LYS HE2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 661, 666,
&end
#
# 41 VAL H 41 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 678, 679, 680,
&end
#
# 41 VAL H 41 VAL QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 682, 683, 684,
&end
#
# 41 VAL H 42 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 689, 690,
&end
#
# 41 VAL H 46 VAL HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 672, 734, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 41 VAL H 82 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1320,1321,1322,
&end
#
# 41 VAL HA 41 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 678, 679, 680,
&end
#
# 41 VAL HA 41 VAL QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 682, 683, 684,
&end
#
# 41 VAL HA 42 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 674, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HA 42 PRO HG3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 674, 693, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 41 VAL HA 42 PRO QD 3.36
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 689, 690,
&end
#
# 41 VAL HA 86 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1392,1393,1394,
&end
#
# 41 VAL HA 86 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1396,1397,1398,
&end
#
# 41 VAL HB 42 PRO QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 689, 690,
&end
#
# 41 VAL HB 45 ASP HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 676, 724, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 41 VAL HB 45 ASP HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 676, 725, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 41 VAL HB 49 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 784, 785, 786,
&end
#
# 41 VAL QG1 42 PRO HG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 42 PRO QD 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 678, 679, 680,
igr2= 689, 690,
&end
#
# 41 VAL QG1 45 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 45 ASP HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 45 ASP HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 49 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 678, 679, 680,
igr2= 784, 785, 786,
&end
#
# 41 VAL QG1 85 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 85 TYR QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 678, 679, 680,
igr2=1370,1379,
&end
#
# 41 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= 678, 679, 680,
igr2=1372,1377,
&end
#
# 41 VAL QG1 86 LEU H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 86 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 678, 679, 680,
&end
#
# 41 VAL QG1 86 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 678, 679, 680,
igr2=1392,1393,1394,
&end
#
# 41 VAL QG2 42 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 42 PRO QD 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 682, 683, 684,
igr2= 689, 690,
&end
#
# 41 VAL QG2 45 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 45 ASP HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 45 ASP HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 46 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 46 VAL HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 46 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 46 VAL QG1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 682, 683, 684,
igr2= 738, 739, 740,
&end
#
# 41 VAL QG2 47 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 49 VAL HB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 49 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 682, 683, 684,
igr2= 784, 785, 786,
&end
#
# 41 VAL QG2 82 ALA HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 682, 683, 684,
&end
#
# 41 VAL QG2 82 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 682, 683, 684,
igr2=1320,1321,1322,
&end
#
# 41 VAL QG2 85 TYR QD 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 682, 683, 684,
igr2=1370,1379,
&end
#
# 41 VAL QG2 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= 682, 683, 684,
igr2=1372,1377,
&end
#
# 41 VAL QG2 86 LEU QD1 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 682, 683, 684,
igr2=1392,1393,1394,
&end
#
# 42 PRO HA 43 SER H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 42 PRO HA 43 SER HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 698, 704, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 42 PRO HA 44 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 698, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PRO HB2 43 SER H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 42 PRO HB2 45 ASP H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 695, 720, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 42 PRO HB3 43 SER H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 696, 702, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 42 PRO HG2 44 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PRO HG2 45 ASP H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 692, 720, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 42 PRO HG3 44 GLY H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 693, 713, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 42 PRO HG3 45 ASP H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 693, 720, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 42 PRO QD 45 ASP H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 689, 690,
&end
#
# 42 PRO QD 45 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 689, 690,
&end
#
# 42 PRO QD 45 ASP HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 689, 690,
&end
#
# 42 PRO QD 45 ASP HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 689, 690,
&end
#
# 42 PRO QD 46 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 689, 690,
&end
#
# 42 PRO QD 85 TYR QE 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 689, 690,
igr2=1372,1377,
&end
#
# 43 SER H 44 GLY H 4.09
&rst
ixpk= 0, nxpk= 0, iat= 702, 713, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 43 SER H 45 ASP H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 702, 720, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 43 SER H 46 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 702, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 SER H 46 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 738, 739, 740,
&end
#
# 43 SER HA 46 VAL H 4.31
&rst
ixpk= 0, nxpk= 0, iat= 704, 732, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 43 SER HA 46 VAL HB 4.33
&rst
ixpk= 0, nxpk= 0, iat= 704, 736, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 43 SER HA 46 VAL QG1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 738, 739, 740,
&end
#
# 44 GLY H 45 ASP H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 713, 720, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 44 GLY H 45 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 713, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLY H 46 VAL H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 713, 732, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 44 GLY H 47 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 713, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLY HA2 46 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 715, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLY HA3 46 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 716, 732, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 44 GLY HA3 47 PRO HD2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 716, 749, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 44 GLY HA3 47 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 716, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASP H 45 ASP HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 45 ASP H 45 ASP HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 720, 725, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 45 ASP H 46 VAL H 3.08
&rst
ixpk= 0, nxpk= 0, iat= 720, 732, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &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 5.18
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 738, 739, 740,
&end
#
# 45 ASP H 47 PRO HD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 720, 749, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 45 ASP H 47 PRO HD3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 720, 750, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 45 ASP HA 47 PRO HD3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 722, 750, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 45 ASP HA 48 ASP H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 722, 762, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 45 ASP HA 48 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 722, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASP HA 49 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 722, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASP HA 49 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 784, 785, 786,
&end
#
# 45 ASP HA 85 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1372,1377,
&end
#
# 45 ASP HB2 46 VAL H 4.78
&rst
ixpk= 0, nxpk= 0, iat= 724, 732, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 45 ASP HB2 46 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 724, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASP HB2 49 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 784, 785, 786,
&end
#
# 45 ASP HB2 85 TYR QD 4.93
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1370,1379,
&end
#
# 45 ASP HB2 85 TYR QE 3.51
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1372,1377,
&end
#
# 45 ASP HB2 86 LEU QD2 5.70
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1396,1397,1398,
&end
#
# 45 ASP HB3 46 VAL H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 725, 732, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 45 ASP HB3 49 VAL QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 784, 785, 786,
&end
#
# 45 ASP HB3 85 TYR QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1372,1377,
&end
#
# 46 VAL H 46 VAL HB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 732, 736, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 46 VAL H 46 VAL QG1 3.45
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 738, 739, 740,
&end
#
# 46 VAL H 46 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 742, 743, 744,
&end
#
# 46 VAL H 47 PRO HD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 732, 749, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 46 VAL H 47 PRO HD3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 732, 750, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 46 VAL H 47 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 VAL H 48 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 732, 762, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 46 VAL HA 46 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 738, 739, 740,
&end
#
# 46 VAL HA 46 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 742, 743, 744,
&end
#
# 46 VAL HA 48 ASP H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 734, 762, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 46 VAL HA 49 VAL H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 734, 774, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 46 VAL HA 49 VAL HB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 734, 778, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 46 VAL HA 49 VAL QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 784, 785, 786,
&end
#
# 46 VAL HA 50 VAL H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 734, 790, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 46 VAL HB 47 PRO HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 736, 749, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 VAL HB 47 PRO HD3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 736, 750, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 46 VAL QG2 47 PRO HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 742, 743, 744,
&end
#
# 46 VAL QG2 47 PRO HD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 742, 743, 744,
&end
#
# 46 VAL QG2 47 PRO HD3 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 742, 743, 744,
&end
#
# 46 VAL QG2 48 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 742, 743, 744,
&end
#
# 46 VAL QG2 50 VAL QG2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 742, 743, 744,
igr2= 800, 801, 802,
&end
#
# 47 PRO HA 48 ASP HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 758, 764, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 47 PRO HA 49 VAL H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 758, 774, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 47 PRO HA 50 VAL H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 758, 790, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 47 PRO HA 50 VAL HB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 758, 794, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 47 PRO HA 50 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 796, 797, 798,
&end
#
# 47 PRO HA 50 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 800, 801, 802,
&end
#
# 47 PRO HB2 48 ASP H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 755, 762, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 47 PRO HB2 48 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 755, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 PRO HB3 48 ASP H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 756, 762, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 47 PRO HB3 48 ASP HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= 756, 764, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 47 PRO HD2 48 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 749, 762, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 47 PRO HD3 48 ASP H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 750, 762, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 47 PRO HD3 49 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 PRO HG2 48 ASP H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 752, 762, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 47 PRO HG3 48 ASP H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 753, 762, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 47 PRO HG3 48 ASP HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= 753, 764, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 48 ASP H 48 ASP HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 762, 766, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 48 ASP H 48 ASP HB3 3.08
&rst
ixpk= 0, nxpk= 0, iat= 762, 767, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 48 ASP H 49 VAL H 3.37
&rst
ixpk= 0, nxpk= 0, iat= 762, 774, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 48 ASP H 49 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 784, 785, 786,
&end
#
# 48 ASP H 50 VAL H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 762, 790, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 48 ASP HA 49 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 784, 785, 786,
&end
#
# 48 ASP HA 50 VAL H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 764, 790, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 48 ASP HA 51 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 ASP HA 51 GLN QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 810, 811,
&end
#
# 48 ASP HA 52 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 764, 823, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 48 ASP HB2 49 VAL H 4.33
&rst
ixpk= 0, nxpk= 0, iat= 766, 774, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 48 ASP HB2 49 VAL HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= 766, 776, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 48 ASP HB2 49 VAL QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 784, 785, 786,
&end
#
# 48 ASP HB2 85 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1372,1377,
&end
#
# 48 ASP HB3 49 VAL H 3.74
&rst
ixpk= 0, nxpk= 0, iat= 767, 774, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 48 ASP HB3 49 VAL HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 767, 776, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 48 ASP HB3 49 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 780, 781, 782,
&end
#
# 48 ASP HB3 49 VAL QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 784, 785, 786,
&end
#
# 48 ASP HB3 50 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ASP HB3 85 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1372,1377,
&end
#
# 49 VAL H 49 VAL HB 3.59
&rst
ixpk= 0, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 49 VAL H 49 VAL QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 780, 781, 782,
&end
#
# 49 VAL H 49 VAL QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 784, 785, 786,
&end
#
# 49 VAL H 50 VAL H 3.21
&rst
ixpk= 0, nxpk= 0, iat= 774, 790, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 49 VAL H 50 VAL HB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 774, 794, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 49 VAL H 50 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 800, 801, 802,
&end
#
# 49 VAL HA 49 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 780, 781, 782,
&end
#
# 49 VAL HA 49 VAL QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 784, 785, 786,
&end
#
# 49 VAL HA 51 GLN QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 810, 811,
&end
#
# 49 VAL HA 52 GLU H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 776, 823, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 49 VAL HA 52 GLU HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 776, 827, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 VAL HA 52 GLU HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 776, 828, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 49 VAL HA 52 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 776, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HA 53 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 776, 838, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 49 VAL HA 53 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 842, 843, 844,
&end
#
# 49 VAL HA 81 THR QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1308,1309,1310,
&end
#
# 49 VAL HA 85 TYR QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1370,1379,
&end
#
# 49 VAL HB 50 VAL H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 778, 790, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 49 VAL HB 50 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 778, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HB 85 TYR QD 5.43
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1370,1379,
&end
#
# 49 VAL QG1 50 VAL H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 52 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 52 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 52 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 53 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 53 ALA HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 53 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 780, 781, 782,
igr2= 842, 843, 844,
&end
#
# 49 VAL QG1 81 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 81 THR HB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 81 THR QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 780, 781, 782,
igr2=1308,1309,1310,
&end
#
# 49 VAL QG1 82 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 82 ALA HA 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 82 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 780, 781, 782,
igr2=1320,1321,1322,
&end
#
# 49 VAL QG1 85 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 85 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 85 TYR HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 780, 781, 782,
&end
#
# 49 VAL QG1 85 TYR QD 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 780, 781, 782,
igr2=1370,1379,
&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=1372,1377,
&end
#
# 49 VAL QG2 50 VAL H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 50 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 784, 785, 786,
igr2= 800, 801, 802,
&end
#
# 49 VAL QG2 52 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 81 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 784, 785, 786,
igr2=1308,1309,1310,
&end
#
# 49 VAL QG2 82 ALA HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 85 TYR HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 784, 785, 786,
&end
#
# 49 VAL QG2 85 TYR QD 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 784, 785, 786,
igr2=1370,1379,
&end
#
# 49 VAL QG2 85 TYR QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 784, 785, 786,
igr2=1372,1377,
&end
#
# 50 VAL H 50 VAL HB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 790, 794, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 50 VAL H 50 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 796, 797, 798,
&end
#
# 50 VAL H 50 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 800, 801, 802,
&end
#
# 50 VAL H 51 GLN H 3.68
&rst
ixpk= 0, nxpk= 0, iat= 790, 806, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 50 VAL H 51 GLN QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 810, 811,
&end
#
# 50 VAL H 52 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 VAL HA 50 VAL QG1 3.46
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 796, 797, 798,
&end
#
# 50 VAL HA 50 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 800, 801, 802,
&end
#
# 50 VAL HA 53 ALA H 4.23
&rst
ixpk= 0, nxpk= 0, iat= 792, 838, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 50 VAL HA 53 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 842, 843, 844,
&end
#
# 50 VAL HA 54 PHE H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 792, 848, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 50 VAL HB 51 GLN H 3.93
&rst
ixpk= 0, nxpk= 0, iat= 794, 806, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 50 VAL QG1 51 GLN H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 796, 797, 798,
&end
#
# 50 VAL QG1 51 GLN HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 796, 797, 798,
&end
#
# 50 VAL QG1 51 GLN QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 796, 797, 798,
igr2= 810, 811,
&end
#
# 50 VAL QG1 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= 796, 797, 798,
&end
#
# 50 VAL QG1 54 PHE HZ 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 796, 797, 798,
&end
#
# 50 VAL QG1 54 PHE QD 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 796, 797, 798,
igr2= 856, 864,
&end
#
# 50 VAL QG1 54 PHE QE 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 796, 797, 798,
igr2= 858, 862,
&end
#
# 50 VAL QG2 51 GLN H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 800, 801, 802,
&end
#
# 50 VAL QG2 53 ALA H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 800, 801, 802,
&end
#
# 50 VAL QG2 53 ALA QB 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 800, 801, 802,
igr2= 842, 843, 844,
&end
#
# 50 VAL QG2 54 PHE QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 800, 801, 802,
igr2= 858, 862,
&end
#
# 50 VAL QG2 82 ALA QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 800, 801, 802,
igr2=1320,1321,1322,
&end
#
# 51 GLN H 51 GLN QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 810, 811,
&end
#
# 51 GLN H 51 GLN QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 813, 814,
&end
#
# 51 GLN H 52 GLU H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 806, 823, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 51 GLN H 53 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 806, 838, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 51 GLN HA 51 GLN HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 808, 813, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 51 GLN HA 51 GLN HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 808, 814, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 51 GLN HA 51 GLN QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 810, 811,
&end
#
# 51 GLN HA 53 ALA H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 808, 838, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 51 GLN HA 54 PHE H 4.02
&rst
ixpk= 0, nxpk= 0, iat= 808, 848, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 51 GLN HA 54 PHE HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 808, 852, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 51 GLN HA 54 PHE HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 808, 853, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 51 GLN HA 54 PHE QD 3.80
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 856, 864,
&end
#
# 51 GLN HA 55 ILE H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 808, 868, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 51 GLN HA 55 ILE HG12 5.66
&rst
ixpk= 0, nxpk= 0, iat= 808, 878, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 51 GLN HA 55 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 881, 882, 883,
&end
#
# 51 GLN HE21 55 ILE HG12 5.47
&rst
ixpk= 0, nxpk= 0, iat= 819, 878, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 51 GLN HE21 55 ILE QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 881, 882, 883,
&end
#
# 51 GLN HE22 55 ILE QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 881, 882, 883,
&end
#
# 51 GLN HG2 55 ILE HG12 5.14
&rst
ixpk= 0, nxpk= 0, iat= 813, 878, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 51 GLN HG2 55 ILE QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 881, 882, 883,
&end
#
# 51 GLN HG3 54 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 814, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLN HG3 55 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 814, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLN HG3 55 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 881, 882, 883,
&end
#
# 51 GLN QB 51 GLN HE21 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 810, 811,
&end
#
# 51 GLN QB 51 GLN HG3 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 810, 811,
&end
#
# 51 GLN QB 52 GLU H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 810, 811,
&end
#
# 51 GLN QB 55 ILE HG12 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 810, 811,
&end
#
# 51 GLN QB 55 ILE QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 810, 811,
igr2= 881, 882, 883,
&end
#
# 51 GLN QG 51 GLN HE21 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 813, 814,
&end
#
# 51 GLN QG 52 GLU H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 813, 814,
&end
#
# 52 GLU H 52 GLU HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 52 GLU H 52 GLU HG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 52 GLU H 52 GLU HG3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 823, 831, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 52 GLU H 53 ALA H 3.51
&rst
ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 52 GLU H 53 ALA HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 823, 840, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 52 GLU H 53 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 842, 843, 844,
&end
#
# 52 GLU H 55 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 881, 882, 883,
&end
#
# 52 GLU HA 52 GLU HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 825, 830, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 52 GLU HA 52 GLU HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 825, 831, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 52 GLU HA 53 ALA QB 5.41
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 842, 843, 844,
&end
#
# 52 GLU HA 55 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 825, 868, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 52 GLU HA 55 ILE HB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 825, 872, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 52 GLU HA 55 ILE HG12 4.71
&rst
ixpk= 0, nxpk= 0, iat= 825, 878, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 52 GLU HA 55 ILE HG13 5.10
&rst
ixpk= 0, nxpk= 0, iat= 825, 879, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 52 GLU HA 55 ILE QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 881, 882, 883,
&end
#
# 52 GLU HA 55 ILE QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 874, 875, 876,
&end
#
# 52 GLU HA 56 LYS H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 825, 887, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 52 GLU HB2 53 ALA H 4.30
&rst
ixpk= 0, nxpk= 0, iat= 827, 838, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 52 GLU HB3 53 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 52 GLU HB3 53 ALA HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 828, 840, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 52 GLU HB3 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 842, 843, 844,
&end
#
# 52 GLU HB3 56 LYS QD 5.90
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 897, 898,
&end
#
# 52 GLU HB3 81 THR QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1308,1309,1310,
&end
#
# 52 GLU HG2 53 ALA H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 52 GLU HG2 53 ALA HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 830, 840, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 52 GLU HG2 55 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 881, 882, 883,
&end
#
# 52 GLU HG2 55 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 52 GLU HG2 56 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU HG2 56 LYS HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 830, 891, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 52 GLU HG2 56 LYS QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 897, 898,
&end
#
# 52 GLU HG2 56 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 900, 901,
&end
#
# 52 GLU HG2 56 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 894, 895,
&end
#
# 52 GLU HG2 81 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1308,1309,1310,
&end
#
# 52 GLU HG3 53 ALA H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 831, 838, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 52 GLU HG3 53 ALA HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 52 GLU HG3 55 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 831, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU HG3 55 ILE HB 5.26
&rst
ixpk= 0, nxpk= 0, iat= 831, 872, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 52 GLU HG3 55 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 881, 882, 883,
&end
#
# 52 GLU HG3 55 ILE QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 874, 875, 876,
&end
#
# 52 GLU HG3 56 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 900, 901,
&end
#
# 52 GLU HG3 56 LYS QG 5.64
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 894, 895,
&end
#
# 52 GLU HG3 81 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1308,1309,1310,
&end
#
# 53 ALA H 53 ALA QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 842, 843, 844,
&end
#
# 53 ALA H 54 PHE H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 838, 848, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 53 ALA H 54 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 856, 864,
&end
#
# 53 ALA H 56 LYS H 5.06
&rst
ixpk= 0, nxpk= 0, iat= 838, 887, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 53 ALA H 77 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1249,1250,1251,
&end
#
# 53 ALA H 81 THR QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1308,1309,1310,
&end
#
# 53 ALA HA 55 ILE H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 840, 868, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 53 ALA HA 56 LYS H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 840, 887, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 53 ALA HA 56 LYS HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 840, 891, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 53 ALA HA 56 LYS QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 900, 901,
&end
#
# 53 ALA HA 77 ILE QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1249,1250,1251,
&end
#
# 53 ALA HA 78 ALA HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 840,1264, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 53 ALA HA 81 THR HB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 840,1306, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 53 ALA HA 81 THR QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1308,1309,1310,
&end
#
# 53 ALA QB 54 PHE H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 54 PHE HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 54 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 54 PHE QD 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 842, 843, 844,
igr2= 856, 864,
&end
#
# 53 ALA QB 55 ILE H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 56 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 56 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 842, 843, 844,
igr2= 894, 895,
&end
#
# 53 ALA QB 57 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 842, 843, 844,
igr2= 913, 914, 915,
&end
#
# 53 ALA QB 77 ILE HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 77 ILE QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 842, 843, 844,
igr2=1249,1250,1251,
&end
#
# 53 ALA QB 78 ALA HA 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 842, 843, 844,
&end
#
# 53 ALA QB 81 THR HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 842, 843, 844,
&end
#
# 54 PHE H 54 PHE HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 848, 852, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 54 PHE H 54 PHE HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 848, 853, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 54 PHE H 54 PHE QD 3.43
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 856, 864,
&end
#
# 54 PHE H 55 ILE H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 848, 868, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 54 PHE H 55 ILE HB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 848, 872, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 54 PHE H 55 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 881, 882, 883,
&end
#
# 54 PHE H 56 LYS H 4.52
&rst
ixpk= 0, nxpk= 0, iat= 848, 887, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &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 H 77 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1249,1250,1251,
&end
#
# 54 PHE HA 54 PHE QD 2.91
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2= 856, 864,
&end
#
# 54 PHE HA 54 PHE QE 4.35
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 858, 862,
&end
#
# 54 PHE HA 56 LYS H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 850, 887, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 54 PHE HA 57 ALA H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 850, 909, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 54 PHE HA 57 ALA HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 850, 911, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 54 PHE HA 57 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 913, 914, 915,
&end
#
# 54 PHE HA 58 TYR H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 850, 919, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 54 PHE HA 74 LEU QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1188,1189,1190,
&end
#
# 54 PHE HB2 55 ILE H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 852, 868, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 54 PHE HB2 57 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&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 QD 54 PHE HZ 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 856, 864,
&end
#
# 54 PHE QD 55 ILE H 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 856, 864,
&end
#
# 54 PHE QD 57 ALA H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 856, 864,
&end
#
# 54 PHE QD 57 ALA QB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 856, 864,
igr2= 913, 914, 915,
&end
#
# 54 PHE QD 74 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 856, 864,
igr2=1188,1189,1190,
&end
#
# 54 PHE QE 74 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 858, 862,
igr2=1188,1189,1190,
&end
#
# 54 PHE QE 74 LEU QD2 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 858, 862,
igr2=1192,1193,1194,
&end
#
# 55 ILE H 55 ILE HB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 868, 872, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 55 ILE H 55 ILE HG12 3.66
&rst
ixpk= 0, nxpk= 0, iat= 868, 878, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 55 ILE H 55 ILE HG13 4.10
&rst
ixpk= 0, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 55 ILE H 55 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 881, 882, 883,
&end
#
# 55 ILE H 55 ILE QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 874, 875, 876,
&end
#
# 55 ILE H 56 LYS H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 868, 887, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 55 ILE H 57 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 868, 909, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 55 ILE H 57 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 913, 914, 915,
&end
#
# 55 ILE HA 55 ILE HG12 3.80
&rst
ixpk= 0, nxpk= 0, iat= 870, 878, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 55 ILE HA 55 ILE HG13 3.73
&rst
ixpk= 0, nxpk= 0, iat= 870, 879, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 55 ILE HA 55 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 881, 882, 883,
&end
#
# 55 ILE HA 55 ILE QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 874, 875, 876,
&end
#
# 55 ILE HA 57 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 913, 914, 915,
&end
#
# 55 ILE HA 58 TYR H 3.95
&rst
ixpk= 0, nxpk= 0, iat= 870, 919, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 55 ILE HA 58 TYR HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 870, 923, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 55 ILE HA 58 TYR HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 870, 924, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 55 ILE HA 58 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 927, 936,
&end
#
# 55 ILE HB 55 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 881, 882, 883,
&end
#
# 55 ILE HB 56 LYS H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 872, 887, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 55 ILE HB 56 LYS HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 872, 892, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 55 ILE HB 57 ALA H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 872, 909, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 55 ILE HB 59 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 872, 950, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE HG12 56 LYS H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 878, 887, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 55 ILE HG13 56 LYS H 5.41
&rst
ixpk= 0, nxpk= 0, iat= 879, 887, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 55 ILE QD1 56 LYS H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 881, 882, 883,
&end
#
# 55 ILE QG2 55 ILE HG12 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 55 ILE HG13 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 55 ILE QD1 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 874, 875, 876,
igr2= 881, 882, 883,
&end
#
# 55 ILE QG2 56 LYS H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 58 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 58 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 874, 875, 876,
igr2= 927, 936,
&end
#
# 55 ILE QG2 59 ARG HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 59 ARG HD3 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 874, 875, 876,
&end
#
# 55 ILE QG2 59 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 874, 875, 876,
igr2= 947, 948,
&end
#
# 56 LYS H 56 LYS HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 56 LYS H 56 LYS HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 56 LYS H 56 LYS QD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 897, 898,
&end
#
# 56 LYS H 56 LYS QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 900, 901,
&end
#
# 56 LYS H 56 LYS QG 4.15
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 894, 895,
&end
#
# 56 LYS H 77 ILE QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1249,1250,1251,
&end
#
# 56 LYS HA 56 LYS QG 3.92
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 894, 895,
&end
#
# 56 LYS HA 59 ARG H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 889, 940, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 56 LYS HA 59 ARG HD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 889, 950, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 56 LYS HA 59 ARG HD3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 889, 951, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 56 LYS HA 60 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 968, 969, 970,
&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=1249,1250,1251,
&end
#
# 56 LYS HB2 56 LYS QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 897, 898,
&end
#
# 56 LYS HB2 56 LYS QE 5.07
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 900, 901,
&end
#
# 56 LYS HB2 57 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 913, 914, 915,
&end
#
# 56 LYS HB2 77 ILE QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1249,1250,1251,
&end
#
# 56 LYS HB3 56 LYS QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 900, 901,
&end
#
# 56 LYS HB3 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1256,1257,1258,
&end
#
# 56 LYS HB3 77 ILE QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1249,1250,1251,
&end
#
# 56 LYS QD 56 LYS QE 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 897, 898,
igr2= 900, 901,
&end
#
# 56 LYS QD 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 897, 898,
igr2=1256,1257,1258,
&end
#
# 56 LYS QD 77 ILE QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 897, 898,
igr2=1249,1250,1251,
&end
#
# 56 LYS QD 81 THR QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 897, 898,
igr2=1308,1309,1310,
&end
#
# 56 LYS QE 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 900, 901,
igr2=1256,1257,1258,
&end
#
# 56 LYS QE 77 ILE QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 900, 901,
igr2=1249,1250,1251,
&end
#
# 56 LYS QE 81 THR HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 900, 901,
&end
#
# 56 LYS QE 81 THR QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 900, 901,
igr2=1308,1309,1310,
&end
#
# 56 LYS QG 56 LYS QD 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 894, 895,
igr2= 897, 898,
&end
#
# 56 LYS QG 56 LYS QE 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 894, 895,
igr2= 900, 901,
&end
#
# 56 LYS QG 57 ALA H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 894, 895,
&end
#
# 56 LYS QG 57 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 894, 895,
igr2= 913, 914, 915,
&end
#
# 56 LYS QG 60 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 894, 895,
&end
#
# 56 LYS QG 60 ALA QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 894, 895,
igr2= 968, 969, 970,
&end
#
# 56 LYS QG 77 ILE QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 894, 895,
igr2=1249,1250,1251,
&end
#
# 57 ALA H 57 ALA QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 913, 914, 915,
&end
#
# 57 ALA H 58 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 909, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ALA H 59 ARG H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 909, 940, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 57 ALA H 77 ILE QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1256,1257,1258,
&end
#
# 57 ALA H 77 ILE QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1249,1250,1251,
&end
#
# 57 ALA HA 60 ALA H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 911, 964, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 57 ALA HA 60 ALA QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 968, 969, 970,
&end
#
# 57 ALA HA 61 LEU H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 911, 974, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 57 ALA HA 73 TRP HH2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 911,1170, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 57 ALA HA 73 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 911,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ALA HA 73 TRP HZ3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 911,1172, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 57 ALA HA 74 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1188,1189,1190,
&end
#
# 57 ALA HA 77 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 911,1253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ALA HA 77 ILE QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1256,1257,1258,
&end
#
# 57 ALA HA 77 ILE QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1249,1250,1251,
&end
#
# 57 ALA QB 58 TYR H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 58 TYR HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 58 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 60 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 73 TRP HH2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 73 TRP HZ2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 73 TRP HZ3 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 74 LEU HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 74 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 913, 914, 915,
igr2=1188,1189,1190,
&end
#
# 57 ALA QB 74 LEU QD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 913, 914, 915,
igr2=1192,1193,1194,
&end
#
# 57 ALA QB 77 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 77 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 57 ALA QB 77 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 913, 914, 915,
igr2=1256,1257,1258,
&end
#
# 57 ALA QB 77 ILE QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 913, 914, 915,
igr2=1249,1250,1251,
&end
#
# 58 TYR H 58 TYR HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat= 919, 923, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 58 TYR H 58 TYR HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 919, 924, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 58 TYR H 58 TYR QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 927, 936,
&end
#
# 58 TYR H 59 ARG H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 919, 940, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 58 TYR H 60 ALA H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 919, 964, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 58 TYR H 61 LEU QD1 5.65
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 983, 984, 985,
&end
#
# 58 TYR H 77 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1249,1250,1251,
&end
#
# 58 TYR HA 58 TYR QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 927, 936,
&end
#
# 58 TYR HA 58 TYR QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 929, 934,
&end
#
# 58 TYR HA 59 ARG HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 921, 942, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 58 TYR HA 60 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 921, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 TYR HA 61 LEU H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 921, 974, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 58 TYR HA 61 LEU HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 921, 978, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 58 TYR HA 61 LEU HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 921, 979, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 58 TYR HA 61 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 983, 984, 985,
&end
#
# 58 TYR HA 61 LEU QD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 987, 988, 989,
&end
#
# 58 TYR HB2 59 ARG H 3.85
&rst
ixpk= 0, nxpk= 0, iat= 923, 940, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 58 TYR HB2 59 ARG QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 947, 948,
&end
#
# 58 TYR HB2 61 LEU HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 923, 978, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 58 TYR HB3 59 ARG H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 924, 940, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 58 TYR HB3 59 ARG HD3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 924, 951, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 58 TYR HB3 59 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 947, 948,
&end
#
# 58 TYR HB3 61 LEU HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 924, 978, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 58 TYR QD 59 ARG H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 927, 936,
&end
#
# 58 TYR QD 59 ARG HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 927, 936,
&end
#
# 58 TYR QD 59 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 936,
&end
#
# 58 TYR QD 59 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 936,
&end
#
# 58 TYR QD 59 ARG QG 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 927, 936,
igr2= 947, 948,
&end
#
# 58 TYR QD 61 LEU HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 927, 936,
&end
#
# 58 TYR QD 61 LEU QQD 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 927, 936,
igr2= 983, 984, 985, 987, 988, 989,
&end
#
# 58 TYR QD 62 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 927, 936,
&end
#
# 58 TYR QE 59 ARG H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 929, 934,
&end
#
# 58 TYR QE 59 ARG QG 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 929, 934,
igr2= 947, 948,
&end
#
# 59 ARG H 59 ARG HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 59 ARG H 59 ARG HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 940, 945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 59 ARG H 59 ARG HD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 940, 950, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 59 ARG H 59 ARG HD3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 940, 951, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 59 ARG H 59 ARG QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 947, 948,
&end
#
# 59 ARG H 60 ALA H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 940, 964, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 59 ARG H 60 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 968, 969, 970,
&end
#
# 59 ARG H 61 LEU H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 940, 974, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 59 ARG HA 59 ARG HD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 942, 950, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 59 ARG HA 59 ARG HD3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 942, 951, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 59 ARG HA 59 ARG QG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 947, 948,
&end
#
# 59 ARG HA 61 LEU H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 942, 974, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 59 ARG HB2 59 ARG HD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 944, 950, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 59 ARG HB2 59 ARG HD3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 944, 951, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 59 ARG HB2 59 ARG QG 2.78
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 947, 948,
&end
#
# 59 ARG HB2 60 ALA H 3.67
&rst
ixpk= 0, nxpk= 0, iat= 944, 964, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 59 ARG HB2 60 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 968, 969, 970,
&end
#
# 59 ARG HB3 60 ALA H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 945, 964, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 59 ARG HB3 62 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 997, 998,
&end
#
# 59 ARG HD3 60 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 951, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ARG QG 60 ALA H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 947, 948,
&end
#
# 59 ARG QG 61 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 947, 948,
&end
#
# 60 ALA H 60 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 968, 969, 970,
&end
#
# 60 ALA H 61 LEU H 3.22
&rst
ixpk= 0, nxpk= 0, iat= 964, 974, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 60 ALA H 61 LEU HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 964, 978, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 60 ALA H 61 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 983, 984, 985,
&end
#
# 60 ALA H 63 SER H 5.30
&rst
ixpk= 0, nxpk= 0, iat= 964,1005, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 60 ALA H 73 TRP HH2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 964,1170, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 60 ALA H 73 TRP HZ2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 964,1168, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 60 ALA H 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1256,1257,1258,
&end
#
# 60 ALA HA 62 ASP H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 966, 993, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 60 ALA HA 63 SER HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 966,1010, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 60 ALA HA 77 ILE QD1 5.60
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1256,1257,1258,
&end
#
# 60 ALA QB 61 LEU H 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 61 LEU HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 62 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 63 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 63 SER HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 73 TRP HE1 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 73 TRP HH2 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 73 TRP HZ2 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 73 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 968, 969, 970,
&end
#
# 60 ALA QB 77 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 968, 969, 970,
igr2=1256,1257,1258,
&end
#
# 60 ALA QB 77 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 968, 969, 970,
igr2=1249,1250,1251,
&end
#
# 61 LEU H 61 LEU HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 974, 978, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 61 LEU H 61 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 974, 981, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 61 LEU H 61 LEU QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 983, 984, 985,
&end
#
# 61 LEU H 61 LEU QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 987, 988, 989,
&end
#
# 61 LEU H 62 ASP H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 974, 993, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 61 LEU H 62 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 997, 998,
&end
#
# 61 LEU HA 61 LEU QD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 987, 988, 989,
&end
#
# 61 LEU HA 62 ASP HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 976, 995, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 61 LEU HA 64 PHE HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 976,1020, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 61 LEU HA 64 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1024,1032,
&end
#
# 61 LEU HA 73 TRP HH2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 976,1170, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 61 LEU HA 73 TRP HZ2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 976,1168, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 61 LEU HA 73 TRP HZ3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 976,1172, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 61 LEU HB2 61 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 983, 984, 985,
&end
#
# 61 LEU HB2 62 ASP H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 978, 993, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 61 LEU HB2 63 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 978,1005, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HB2 73 TRP HH2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 978,1170, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 61 LEU HB3 61 LEU QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 983, 984, 985,
&end
#
# 61 LEU HB3 61 LEU QD2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 987, 988, 989,
&end
#
# 61 LEU HB3 62 ASP H 3.64
&rst
ixpk= 0, nxpk= 0, iat= 979, 993, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 61 LEU HB3 62 ASP QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 997, 998,
&end
#
# 61 LEU HG 64 PHE HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 981,1020, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 61 LEU HG 73 TRP HH2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 981,1170, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 61 LEU HG 73 TRP HZ3 5.44
&rst
ixpk= 0, nxpk= 0, iat= 981,1172, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 61 LEU QD1 64 PHE HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 983, 984, 985,
&end
#
# 61 LEU QD1 70 PHE QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 983, 984, 985,
igr2=1110,1114,
&end
#
# 61 LEU QD1 73 TRP HZ3 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 983, 984, 985,
&end
#
# 61 LEU QD2 62 ASP H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 987, 988, 989,
&end
#
# 61 LEU QD2 62 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 987, 988, 989,
&end
#
# 61 LEU QD2 64 PHE H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 987, 988, 989,
&end
#
# 61 LEU QD2 64 PHE HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 987, 988, 989,
&end
#
# 61 LEU QD2 70 PHE QE 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 987, 988, 989,
igr2=1110,1114,
&end
#
# 61 LEU QQD 64 PHE QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 983, 984, 985, 987, 988, 989,
igr2=1024,1032,
&end
#
# 61 LEU QQD 64 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 983, 984, 985, 987, 988, 989,
igr2=1026,1030,
&end
#
# 61 LEU QQD 70 PHE HZ 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 61 LEU QQD 70 PHE QD 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 983, 984, 985, 987, 988, 989,
igr2=1108,1116,
&end
#
# 61 LEU QQD 70 PHE QE 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 983, 984, 985, 987, 988, 989,
igr2=1110,1114,
&end
#
# 61 LEU QQD 73 TRP HE3 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 61 LEU QQD 73 TRP HH2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 61 LEU QQD 73 TRP HZ2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 61 LEU QQD 73 TRP HZ3 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 983, 984, 985, 987, 988, 989,
&end
#
# 62 ASP H 62 ASP QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 997, 998,
&end
#
# 62 ASP H 63 SER H 3.23
&rst
ixpk= 0, nxpk= 0, iat= 993,1005, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 62 ASP HA 62 ASP QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 997, 998,
&end
#
# 62 ASP QB 63 SER H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 997, 998,
&end
#
# 62 ASP QB 63 SER HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 997, 998,
&end
#
# 62 ASP QB 63 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 997, 998,
&end
#
# 63 SER H 63 SER HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1005,1009, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 63 SER H 63 SER HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat=1005,1010, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 63 SER H 64 PHE H 3.19
&rst
ixpk= 0, nxpk= 0, iat=1005,1016, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 63 SER HA 65 ARG QD 5.37
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1046,1047,
&end
#
# 63 SER HB2 64 PHE H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1009,1016, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 63 SER HB3 64 PHE H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1010,1016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 63 SER HB3 65 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1046,1047,
&end
#
# 64 PHE H 64 PHE HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat=1016,1020, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 64 PHE H 64 PHE HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat=1016,1021, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 64 PHE H 64 PHE QD 4.32
&rst
ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1024,1032,
&end
#
# 64 PHE H 65 ARG H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1016,1036, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 64 PHE H 73 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1016,1165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 PHE HA 64 PHE QD 3.03
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1024,1032,
&end
#
# 64 PHE HA 64 PHE QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1026,1030,
&end
#
# 64 PHE HA 65 ARG H 3.23
&rst
ixpk= 0, nxpk= 0, iat=1018,1036, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 64 PHE HA 65 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1018,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 PHE HA 66 GLY H 5.22
&rst
ixpk= 0, nxpk= 0, iat=1018,1060, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 64 PHE HA 73 TRP HE1 4.20
&rst
ixpk= 0, nxpk= 0, iat=1018,1165, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 64 PHE HB2 73 TRP HE1 5.09
&rst
ixpk= 0, nxpk= 0, iat=1020,1165, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 64 PHE HB2 73 TRP HZ2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1020,1168, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 64 PHE HB3 73 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1021,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 PHE HZ 66 GLY H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1028,1060, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 64 PHE HZ 66 GLY HA3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1028,1063, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 PHE HZ 68 SER H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1028,1079, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 64 PHE HZ 69 ALA HA 4.56
&rst
ixpk= 0, nxpk= 0, iat=1028,1092, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 64 PHE HZ 69 ALA QB 5.12
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1094,1095,1096,
&end
#
# 64 PHE HZ 70 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1028,1100, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 64 PHE HZ 70 PHE HA 3.47
&rst
ixpk= 0, nxpk= 0, iat=1028,1102, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 64 PHE HZ 73 TRP HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat=1028,1160, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 64 PHE QD 64 PHE HZ 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1024,1032,
&end
#
# 64 PHE QD 65 ARG H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1024,1032,
&end
#
# 64 PHE QD 65 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1024,1032,
&end
#
# 64 PHE QD 66 GLY H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1024,1032,
&end
#
# 64 PHE QD 66 GLY HA2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1024,1032,
&end
#
# 64 PHE QD 67 ASP H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1024,1032,
&end
#
# 64 PHE QD 68 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1024,1032,
&end
#
# 64 PHE QD 73 TRP HD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1024,1032,
&end
#
# 64 PHE QD 73 TRP HE1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1024,1032,
&end
#
# 64 PHE QE 66 GLY H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1026,1030,
&end
#
# 64 PHE QE 66 GLY HA2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1026,1030,
&end
#
# 64 PHE QE 66 GLY HA3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1026,1030,
&end
#
# 64 PHE QE 67 ASP H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1026,1030,
&end
#
# 64 PHE QE 68 SER H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1026,1030,
&end
#
# 64 PHE QE 69 ALA HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1026,1030,
&end
#
# 64 PHE QE 70 PHE H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1026,1030,
&end
#
# 64 PHE QE 70 PHE HA 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1026,1030,
&end
#
# 64 PHE QE 73 TRP HD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1026,1030,
&end
#
# 70 PHE H 70 PHE QD 5.20
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1108,1116,
&end
#
# 70 PHE H 71 TYR H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1100,1120, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 70 PHE H 71 TYR QE 5.42
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1130,1135,
&end
#
# 70 PHE HA 70 PHE QD 3.68
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1108,1116,
&end
#
# 70 PHE HA 70 PHE QE 4.61
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1110,1114,
&end
#
# 70 PHE HA 71 TYR HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=1102,1122, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 70 PHE HA 72 THR H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1102,1141, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 70 PHE HA 73 TRP HE3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1102,1174, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 70 PHE HZ 73 TRP HE3 4.49
&rst
ixpk= 0, nxpk= 0, iat=1112,1174, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 70 PHE HZ 73 TRP HZ3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1112,1172, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 70 PHE HZ 74 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1188,1189,1190,
&end
#
# 70 PHE QD 70 PHE HZ 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1108,1116,
&end
#
# 70 PHE QD 71 TYR H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1108,1116,
&end
#
# 70 PHE QD 71 TYR HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1108,1116,
&end
#
# 70 PHE QD 73 TRP HE3 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1108,1116,
&end
#
# 70 PHE QD 73 TRP HZ3 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1108,1116,
&end
#
# 70 PHE QD 74 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1108,1116,
igr2=1192,1193,1194,
&end
#
# 70 PHE QE 71 TYR H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1110,1114,
&end
#
# 70 PHE QE 73 TRP HE3 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1110,1114,
&end
#
# 70 PHE QE 73 TRP HH2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1110,1114,
&end
#
# 70 PHE QE 73 TRP HZ3 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1110,1114,
&end
#
# 70 PHE QE 74 LEU HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1110,1114,
&end
#
# 70 PHE QE 74 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1110,1114,
&end
#
# 71 TYR H 71 TYR HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat=1120,1124, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 71 TYR H 71 TYR HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 71 TYR H 71 TYR QD 3.22
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1128,1137,
&end
#
# 71 TYR H 71 TYR QE 4.87
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1130,1135,
&end
#
# 71 TYR H 72 THR H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1120,1141, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 71 TYR H 72 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1120,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 TYR H 73 TRP H 5.49
&rst
ixpk= 0, nxpk= 0, iat=1120,1155, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 71 TYR HA 71 TYR QD 4.04
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1128,1137,
&end
#
# 71 TYR HA 73 TRP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1122,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 TYR HA 74 LEU H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1122,1179, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 71 TYR HA 74 LEU HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1122,1183, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 71 TYR HA 74 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1122,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 TYR HA 75 TYR H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1122,1198, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 71 TYR HA 75 TYR QD 4.93
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1206,1215,
&end
#
# 71 TYR HB2 72 THR H 5.36
&rst
ixpk= 0, nxpk= 0, iat=1124,1141, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 71 TYR HB3 72 THR H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1125,1141, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 71 TYR HB3 74 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1125,1183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 TYR HB3 74 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 71 TYR HB3 75 TYR QE 4.35
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1208,1213,
&end
#
# 71 TYR QD 72 THR H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1128,1137,
&end
#
# 71 TYR QD 72 THR HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1128,1137,
&end
#
# 71 TYR QD 75 TYR H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1128,1137,
&end
#
# 71 TYR QD 75 TYR QD 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1128,1137,
igr2=1206,1215,
&end
#
# 71 TYR QE 72 THR H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1130,1135,
&end
#
# 71 TYR QE 72 THR HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1130,1135,
&end
#
# 71 TYR QE 72 THR HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1130,1135,
&end
#
# 71 TYR QE 72 THR QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1130,1135,
igr2=1147,1148,1149,
&end
#
# 72 THR H 72 THR HB 3.33
&rst
ixpk= 0, nxpk= 0, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 72 THR H 72 THR QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1147,1148,1149,
&end
#
# 72 THR H 73 TRP H 3.57
&rst
ixpk= 0, nxpk= 0, iat=1141,1155, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 72 THR H 74 LEU H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1141,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 72 THR H 75 TYR H 5.47
&rst
ixpk= 0, nxpk= 0, iat=1141,1198, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 72 THR HA 72 THR QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1147,1148,1149,
&end
#
# 72 THR HA 74 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1143,1179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 THR HA 75 TYR H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1143,1198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 72 THR HA 75 TYR HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1143,1202, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 72 THR HA 75 TYR HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1143,1203, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 72 THR HA 75 TYR QD 4.45
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1206,1215,
&end
#
# 72 THR HA 76 ARG H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1143,1219, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 72 THR HB 73 TRP H 3.13
&rst
ixpk= 0, nxpk= 0, iat=1145,1155, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 72 THR HB 73 TRP HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat=1145,1160, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 72 THR HB 74 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1145,1179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 THR QG2 73 TRP H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1147,1148,1149,
&end
#
# 72 THR QG2 73 TRP HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1147,1148,1149,
&end
#
# 72 THR QG2 73 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1147,1148,1149,
&end
#
# 72 THR QG2 75 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1147,1148,1149,
&end
#
# 72 THR QG2 76 ARG H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1147,1148,1149,
&end
#
# 72 THR QG2 76 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1147,1148,1149,
&end
#
# 72 THR QG2 76 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1147,1148,1149,
igr2=1229,1230,
&end
#
# 73 TRP H 73 TRP HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 73 TRP H 73 TRP HE3 4.81
&rst
ixpk= 0, nxpk= 0, iat=1155,1174, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 73 TRP H 74 LEU H 3.62
&rst
ixpk= 0, nxpk= 0, iat=1155,1179, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 73 TRP H 74 LEU HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat=1155,1184, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 73 TRP H 75 TYR H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1155,1198, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 73 TRP HA 73 TRP HD1 3.35
&rst
ixpk= 0, nxpk= 0, iat=1157,1163, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 73 TRP HA 74 LEU HA 5.01
&rst
ixpk= 0, nxpk= 0, iat=1157,1181, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 73 TRP HA 76 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1157,1224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 TRP HA 76 ARG QG 3.92
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1226,1227,
&end
#
# 73 TRP HB2 74 LEU H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1159,1179, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 73 TRP HB3 73 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1160,1172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 TRP HB3 74 LEU H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1160,1179, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 73 TRP HD1 77 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1256,1257,1258,
&end
#
# 73 TRP HE1 77 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1256,1257,1258,
&end
#
# 73 TRP HE3 74 LEU H 3.57
&rst
ixpk= 0, nxpk= 0, iat=1174,1179, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 73 TRP HE3 74 LEU HA 4.23
&rst
ixpk= 0, nxpk= 0, iat=1174,1181, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 73 TRP HE3 74 LEU HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1174,1183, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 73 TRP HE3 74 LEU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1174,1184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 TRP HH2 74 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1188,1189,1190,
&end
#
# 73 TRP HH2 77 ILE HG12 4.98
&rst
ixpk= 0, nxpk= 0, iat=1170,1253, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 73 TRP HH2 77 ILE QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1256,1257,1258,
&end
#
# 73 TRP HZ2 77 ILE QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1256,1257,1258,
&end
#
# 73 TRP HZ3 74 LEU HA 4.60
&rst
ixpk= 0, nxpk= 0, iat=1172,1181, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 73 TRP HZ3 74 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1188,1189,1190,
&end
#
# 73 TRP HZ3 77 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1256,1257,1258,
&end
#
# 74 LEU H 74 LEU HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1179,1183, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 74 LEU H 74 LEU HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat=1179,1184, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 74 LEU H 74 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1179,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU H 74 LEU QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1188,1189,1190,
&end
#
# 74 LEU H 74 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1192,1193,1194,
&end
#
# 74 LEU H 75 TYR H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1179,1198, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 74 LEU H 76 ARG H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1179,1219, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 74 LEU H 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1179, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1256,1257,1258,
&end
#
# 74 LEU HA 74 LEU QD1 3.26
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1188,1189,1190,
&end
#
# 74 LEU HA 74 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1192,1193,1194,
&end
#
# 74 LEU HA 77 ILE H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1181,1243, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 74 LEU HA 77 ILE HB 3.76
&rst
ixpk= 0, nxpk= 0, iat=1181,1247, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 74 LEU HA 77 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1181,1253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HA 77 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1256,1257,1258,
&end
#
# 74 LEU HA 77 ILE QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1249,1250,1251,
&end
#
# 74 LEU HA 78 ALA H 5.04
&rst
ixpk= 0, nxpk= 0, iat=1181,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 74 LEU HA 78 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1266,1267,1268,
&end
#
# 74 LEU HB2 74 LEU QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1188,1189,1190,
&end
#
# 74 LEU HB2 74 LEU QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1192,1193,1194,
&end
#
# 74 LEU HB2 75 TYR H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1183,1198, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 74 LEU HB3 75 TYR H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1184,1198, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 74 LEU HG 75 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HG 75 TYR QD 5.15
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1206,1215,
&end
#
# 74 LEU QD1 75 TYR HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1188,1189,1190,
&end
#
# 74 LEU QD1 76 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1188,1189,1190,
&end
#
# 74 LEU QD1 77 ILE H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1188,1189,1190,
&end
#
# 74 LEU QD1 77 ILE HB 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1188,1189,1190,
&end
#
# 74 LEU QD1 77 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1188,1189,1190,
igr2=1256,1257,1258,
&end
#
# 74 LEU QD1 78 ALA H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1188,1189,1190,
&end
#
# 74 LEU QD1 78 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1188,1189,1190,
igr2=1266,1267,1268,
&end
#
# 74 LEU QD2 75 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1192,1193,1194,
&end
#
# 74 LEU QD2 75 TYR QE 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1192,1193,1194,
igr2=1208,1213,
&end
#
# 75 TYR H 75 TYR HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1198,1202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 TYR H 75 TYR HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1198,1203, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 75 TYR H 75 TYR QD 3.52
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1206,1215,
&end
#
# 75 TYR H 75 TYR QE 4.69
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1208,1213,
&end
#
# 75 TYR H 76 ARG H 3.69
&rst
ixpk= 0, nxpk= 0, iat=1198,1219, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 75 TYR H 76 ARG QG 4.87
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1226,1227,
&end
#
# 75 TYR H 77 ILE H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1198,1243, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 75 TYR HA 75 TYR QD 2.75
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2=1206,1215,
&end
#
# 75 TYR HA 77 ILE H 5.22
&rst
ixpk= 0, nxpk= 0, iat=1200,1243, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 75 TYR HA 78 ALA H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1200,1262, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 75 TYR HA 78 ALA QB 3.65
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1266,1267,1268,
&end
#
# 75 TYR HB2 76 ARG H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1202,1219, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 75 TYR HB3 76 ARG H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1203,1219, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 75 TYR HB3 77 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1203,1243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 TYR QD 76 ARG H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1206,1215,
&end
#
# 75 TYR QD 78 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1206,1215,
&end
#
# 75 TYR QD 78 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1206,1215,
igr2=1266,1267,1268,
&end
#
# 76 ARG H 76 ARG QD 4.91
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1229,1230,
&end
#
# 76 ARG H 76 ARG QG 3.18
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1226,1227,
&end
#
# 76 ARG H 77 ILE H 3.71
&rst
ixpk= 0, nxpk= 0, iat=1219,1243, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 76 ARG H 77 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1219,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG H 77 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1256,1257,1258,
&end
#
# 76 ARG H 78 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1219,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HA 76 ARG QD 4.28
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1229,1230,
&end
#
# 76 ARG HA 76 ARG QG 3.46
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1226,1227,
&end
#
# 76 ARG HA 77 ILE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1221,1245, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 76 ARG HA 79 VAL H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1221,1272, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 76 ARG HA 79 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1278,1279,1280,
&end
#
# 76 ARG HA 79 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1282,1283,1284,
&end
#
# 76 ARG HA 80 ASN H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1221,1288, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 76 ARG HA 80 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1221,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HB2 76 ARG QD 3.51
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1229,1230,
&end
#
# 76 ARG HB2 80 ASN HD21 5.33
&rst
ixpk= 0, nxpk= 0, iat=1223,1298, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 76 ARG HB2 80 ASN HD22 5.46
&rst
ixpk= 0, nxpk= 0, iat=1223,1297, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 76 ARG HB3 76 ARG QD 3.34
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1229,1230,
&end
#
# 76 ARG HB3 77 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1224,1243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HB3 80 ASN HD21 5.46
&rst
ixpk= 0, nxpk= 0, iat=1224,1298, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 76 ARG HB3 80 ASN HD22 5.37
&rst
ixpk= 0, nxpk= 0, iat=1224,1297, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 76 ARG QD 80 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1229,1230,
&end
#
# 76 ARG QD 80 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1229,1230,
&end
#
# 76 ARG QG 77 ILE H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1226,1227,
&end
#
# 76 ARG QG 77 ILE HG12 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1226,1227,
&end
#
# 76 ARG QG 77 ILE QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1226,1227,
igr2=1256,1257,1258,
&end
#
# 77 ILE H 77 ILE HB 3.32
&rst
ixpk= 0, nxpk= 0, iat=1243,1247, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 77 ILE H 77 ILE HG12 3.74
&rst
ixpk= 0, nxpk= 0, iat=1243,1253, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 77 ILE H 77 ILE HG13 4.24
&rst
ixpk= 0, nxpk= 0, iat=1243,1254, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 77 ILE H 77 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1256,1257,1258,
&end
#
# 77 ILE H 77 ILE QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1249,1250,1251,
&end
#
# 77 ILE H 78 ALA H 3.41
&rst
ixpk= 0, nxpk= 0, iat=1243,1262, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 77 ILE H 78 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1266,1267,1268,
&end
#
# 77 ILE H 79 VAL H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1243,1272, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 77 ILE HA 77 ILE HG12 3.83
&rst
ixpk= 0, nxpk= 0, iat=1245,1253, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 77 ILE HA 77 ILE HG13 3.82
&rst
ixpk= 0, nxpk= 0, iat=1245,1254, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 77 ILE HA 77 ILE QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1256,1257,1258,
&end
#
# 77 ILE HA 77 ILE QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1249,1250,1251,
&end
#
# 77 ILE HA 78 ALA HA 4.67
&rst
ixpk= 0, nxpk= 0, iat=1245,1264, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 77 ILE HA 79 VAL H 5.35
&rst
ixpk= 0, nxpk= 0, iat=1245,1272, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 77 ILE HA 80 ASN H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1245,1288, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 77 ILE HA 80 ASN HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1245,1292, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 77 ILE HA 80 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1245,1298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE HA 81 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1245,1302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE HB 77 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1256,1257,1258,
&end
#
# 77 ILE HB 78 ALA H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1247,1262, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 77 ILE HG12 78 ALA H 5.35
&rst
ixpk= 0, nxpk= 0, iat=1253,1262, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 77 ILE HG12 78 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1266,1267,1268,
&end
#
# 77 ILE HG13 78 ALA H 5.45
&rst
ixpk= 0, nxpk= 0, iat=1254,1262, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 77 ILE QD1 78 ALA H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1256,1257,1258,
&end
#
# 77 ILE QG2 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=1249,1250,1251,
igr2=1256,1257,1258,
&end
#
# 77 ILE QG2 78 ALA H 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1249,1250,1251,
&end
#
# 77 ILE QG2 78 ALA HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1249,1250,1251,
&end
#
# 77 ILE QG2 80 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1249,1250,1251,
&end
#
# 77 ILE QG2 81 THR H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1249,1250,1251,
&end
#
# 77 ILE QG2 81 THR HB 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1249,1250,1251,
&end
#
# 77 ILE QG2 81 THR QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1249,1250,1251,
igr2=1308,1309,1310,
&end
#
# 78 ALA H 78 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1266,1267,1268,
&end
#
# 78 ALA H 79 VAL H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1262,1272, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 78 ALA H 79 VAL HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1262,1274, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 78 ALA H 79 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1262,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ALA H 79 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1278,1279,1280,
&end
#
# 78 ALA H 80 ASN H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1262,1288, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 78 ALA H 81 THR HB 5.30
&rst
ixpk= 0, nxpk= 0, iat=1262,1306, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 78 ALA HA 81 THR H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1264,1302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 ALA HA 81 THR HB 3.58
&rst
ixpk= 0, nxpk= 0, iat=1264,1306, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 78 ALA HA 81 THR QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1308,1309,1310,
&end
#
# 78 ALA HA 82 ALA H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1264,1316, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 78 ALA HA 82 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1320,1321,1322,
&end
#
# 78 ALA QB 79 VAL H 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1266,1267,1268,
&end
#
# 78 ALA QB 79 VAL HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1266,1267,1268,
&end
#
# 78 ALA QB 79 VAL HB 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1266,1267,1268,
&end
#
# 78 ALA QB 80 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1266,1267,1268,
&end
#
# 78 ALA QB 81 THR HB 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1266,1267,1268,
&end
#
# 78 ALA QB 82 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=1266,1267,1268,
igr2=1320,1321,1322,
&end
#
# 79 VAL H 79 VAL HB 3.23
&rst
ixpk= 0, nxpk= 0, iat=1272,1276, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 79 VAL H 79 VAL QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1278,1279,1280,
&end
#
# 79 VAL H 79 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1282,1283,1284,
&end
#
# 79 VAL H 80 ASN H 3.64
&rst
ixpk= 0, nxpk= 0, iat=1272,1288, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 79 VAL H 81 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1272,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 VAL HA 79 VAL QG1 3.15
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1278,1279,1280,
&end
#
# 79 VAL HA 79 VAL QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1282,1283,1284,
&end
#
# 79 VAL HA 81 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1274,1302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 VAL HA 82 ALA H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1274,1316, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 79 VAL HA 82 ALA QB 3.52
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1320,1321,1322,
&end
#
# 79 VAL HA 83 LYS H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1274,1326, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 79 VAL HA 83 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1336,1337,
&end
#
# 79 VAL HB 80 ASN H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1276,1288, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 79 VAL QG1 80 ASN H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1278,1279,1280,
&end
#
# 79 VAL QG1 80 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1278,1279,1280,
&end
#
# 79 VAL QG1 80 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1278,1279,1280,
&end
#
# 79 VAL QG1 83 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1278,1279,1280,
&end
#
# 79 VAL QG1 83 LYS QD 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1278,1279,1280,
igr2=1336,1337,
&end
#
# 79 VAL QG2 80 ASN H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 80 ASN HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 80 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 81 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 83 LYS H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 83 LYS HE2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 83 LYS HE3 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 83 LYS HG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 83 LYS HG3 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1282,1283,1284,
&end
#
# 79 VAL QG2 83 LYS QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1282,1283,1284,
igr2=1336,1337,
&end
#
# 80 ASN H 80 ASN HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1288,1292, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 80 ASN H 80 ASN HD21 4.68
&rst
ixpk= 0, nxpk= 0, iat=1288,1298, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 80 ASN H 80 ASN HD22 4.73
&rst
ixpk= 0, nxpk= 0, iat=1288,1297, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 80 ASN H 81 THR H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1288,1302, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 80 ASN H 83 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1336,1337,
&end
#
# 80 ASN HA 80 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1290,1298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN HA 80 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1290,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN HA 81 THR HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=1290,1304, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 80 ASN HA 83 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1290,1339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN HA 83 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1290,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN HA 83 LYS QD 4.53
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1336,1337,
&end
#
# 80 ASN HB2 81 THR H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1292,1302, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 80 ASN HB2 82 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1292,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN HB3 81 THR HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=1293,1304, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 80 ASN HB3 83 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1293,1330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASN HB3 83 LYS QD 5.43
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1336,1337,
&end
#
# 81 THR H 81 THR HB 3.48
&rst
ixpk= 0, nxpk= 0, iat=1302,1306, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 81 THR H 81 THR QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1308,1309,1310,
&end
#
# 81 THR H 82 ALA QB 5.41
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1320,1321,1322,
&end
#
# 81 THR HA 81 THR QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1308,1309,1310,
&end
#
# 81 THR HA 84 ASN H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1304,1348, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 81 THR HA 84 ASN HD21 5.02
&rst
ixpk= 0, nxpk= 0, iat=1304,1358, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 81 THR HA 84 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1304,1357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 THR HA 84 ASN QB 3.67
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1352,1353,
&end
#
# 81 THR HB 82 ALA H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1306,1316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 THR HB 82 ALA HA 4.68
&rst
ixpk= 0, nxpk= 0, iat=1306,1318, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 81 THR HB 82 ALA QB 5.26
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1320,1321,1322,
&end
#
# 81 THR QG2 82 ALA H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1308,1309,1310,
&end
#
# 81 THR QG2 82 ALA HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1308,1309,1310,
&end
#
# 81 THR QG2 84 ASN QB 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1308,1309,1310,
igr2=1352,1353,
&end
#
# 81 THR QG2 85 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1308,1309,1310,
&end
#
# 81 THR QG2 85 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=1308,1309,1310,
igr2=1370,1379,
&end
#
# 81 THR QG2 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=1308,1309,1310,
igr2=1372,1377,
&end
#
# 82 ALA H 82 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1320,1321,1322,
&end
#
# 82 ALA H 83 LYS H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1316,1326, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 82 ALA H 84 ASN H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1316,1348, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 82 ALA H 85 TYR H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1316,1362, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ALA HA 85 TYR H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1318,1362, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 82 ALA HA 85 TYR HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat=1318,1367, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 82 ALA HA 85 TYR QD 4.22
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1370,1379,
&end
#
# 82 ALA HA 86 LEU H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1318,1383, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 82 ALA QB 83 LYS H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1320,1321,1322,
&end
#
# 82 ALA QB 83 LYS HB3 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1320,1321,1322,
&end
#
# 82 ALA QB 83 LYS HG3 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1320,1321,1322,
&end
#
# 82 ALA QB 84 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1320,1321,1322,
&end
#
# 82 ALA QB 85 TYR QD 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1320,1321,1322,
igr2=1370,1379,
&end
#
# 82 ALA QB 86 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1=1320,1321,1322,
igr2=1392,1393,1394,
&end
#
# 83 LYS H 83 LYS HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 83 LYS H 83 LYS HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1326,1331, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 83 LYS H 83 LYS HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1326,1333, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 83 LYS H 83 LYS HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat=1326,1334, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 83 LYS H 83 LYS QD 4.76
&rst
ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1336,1337,
&end
#
# 83 LYS H 84 ASN H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1326,1348, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 83 LYS HB2 83 LYS QD 3.54
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1336,1337,
&end
#
# 83 LYS HB2 84 ASN H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1330,1348, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 83 LYS HB2 84 ASN QB 5.47
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1352,1353,
&end
#
# 83 LYS HB3 84 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1352,1353,
&end
#
# 84 ASN H 84 ASN QB 3.38
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1352,1353,
&end
#
# 84 ASN HA 84 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1350,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ASN HA 84 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1350,1357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ASN HA 87 VAL H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1350,1402, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 84 ASN HA 87 VAL QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1408,1409,1410,
&end
#
# 84 ASN HA 87 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1412,1413,1414,
&end
#
# 84 ASN HA 88 ALA H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1350,1418, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 84 ASN HD21 85 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1358,1364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ASN QB 84 ASN HD21 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1352,1353,
&end
#
# 84 ASN QB 84 ASN HD22 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1352,1353,
&end
#
# 84 ASN QB 85 TYR H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1352,1353,
&end
#
# 84 ASN QB 87 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1352,1353,
igr2=1408,1409,1410,
&end
#
# 84 ASN QB 87 VAL QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1352,1353,
igr2=1412,1413,1414,
&end
#
# 85 TYR H 85 TYR HB2 3.37
&rst
ixpk= 0, nxpk= 0, iat=1362,1366, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 85 TYR H 85 TYR QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1370,1379,
&end
#
# 85 TYR H 86 LEU HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1362,1385, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 85 TYR H 86 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1362,1387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 TYR HA 85 TYR QD 3.32
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1370,1379,
&end
#
# 85 TYR HA 88 ALA QB 4.27
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1422,1423,1424,
&end
#
# 85 TYR HB2 86 LEU H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1366,1383, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 85 TYR HB3 86 LEU HB3 5.65
&rst
ixpk= 0, nxpk= 0, iat=1367,1388, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 85 TYR QD 86 LEU H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1370,1379,
&end
#
# 85 TYR QD 86 LEU HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1370,1379,
&end
#
# 85 TYR QD 86 LEU HG 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1370,1379,
&end
#
# 85 TYR QD 86 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1370,1379,
igr2=1392,1393,1394,
&end
#
# 85 TYR QD 86 LEU QD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1370,1379,
igr2=1396,1397,1398,
&end
#
# 85 TYR QD 88 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1370,1379,
igr2=1422,1423,1424,
&end
#
# 85 TYR QD 89 GLN HE21 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1370,1379,
&end
#
# 85 TYR QE 86 LEU QD2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=1372,1377,
igr2=1396,1397,1398,
&end
#
# 85 TYR QE 88 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1372,1377,
igr2=1422,1423,1424,
&end
#
# 85 TYR QE 89 GLN QG 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1372,1377,
igr2=1435,1436,
&end
#
# 86 LEU H 86 LEU HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1383,1387, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 86 LEU H 86 LEU HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1383,1388, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 86 LEU H 86 LEU HG 4.58
&rst
ixpk= 0, nxpk= 0, iat=1383,1390, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 86 LEU H 86 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1392,1393,1394,
&end
#
# 86 LEU H 86 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1396,1397,1398,
&end
#
# 86 LEU H 88 ALA H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1383,1418, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 86 LEU HA 86 LEU QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1392,1393,1394,
&end
#
# 86 LEU HA 86 LEU QD2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1396,1397,1398,
&end
#
# 86 LEU HA 87 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1408,1409,1410,
&end
#
# 86 LEU HB2 87 VAL H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1387,1402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 LEU HB2 87 VAL HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1387,1404, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 86 LEU HB2 87 VAL QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1408,1409,1410,
&end
#
# 86 LEU HB3 86 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1392,1393,1394,
&end
#
# 86 LEU HB3 86 LEU QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1396,1397,1398,
&end
#
# 86 LEU HB3 87 VAL H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1388,1402, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 86 LEU HB3 88 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1388,1418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 LEU QD2 89 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1396,1397,1398,
&end
#
# 86 LEU QD2 89 GLN QG 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1396,1397,1398,
igr2=1435,1436,
&end
#
# 87 VAL H 87 VAL HB 3.88
&rst
ixpk= 0, nxpk= 0, iat=1402,1406, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 87 VAL H 87 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1408,1409,1410,
&end
#
# 87 VAL H 88 ALA H 3.64
&rst
ixpk= 0, nxpk= 0, iat=1402,1418, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 87 VAL H 90 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1402,1445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 VAL HA 87 VAL QG1 3.72
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1408,1409,1410,
&end
#
# 87 VAL HA 87 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1412,1413,1414,
&end
#
# 87 VAL HA 90 GLY QA 4.40
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1447,1448,
&end
#
# 87 VAL HA 91 ARG QD 4.89
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1462,1463,
&end
#
# 87 VAL HB 88 ALA H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1406,1418, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 87 VAL HB 88 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1406,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 VAL HB 91 ARG HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1406,1459, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 VAL QG1 88 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1408,1409,1410,
&end
#
# 87 VAL QG1 90 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1408,1409,1410,
&end
#
# 87 VAL QG1 91 ARG QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1408,1409,1410,
igr2=1456,1457,
&end
#
# 87 VAL QG1 91 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1408,1409,1410,
igr2=1462,1463,
&end
#
# 87 VAL QG2 88 ALA H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1412,1413,1414,
&end
#
# 87 VAL QG2 88 ALA HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1412,1413,1414,
&end
#
# 87 VAL QG2 90 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1412,1413,1414,
&end
#
# 87 VAL QG2 91 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1412,1413,1414,
igr2=1462,1463,
&end
#
# 88 ALA H 88 ALA QB 3.35
&rst
ixpk= 0, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1422,1423,1424,
&end
#
# 88 ALA HA 91 ARG HA 6.30
&rst
ixpk= 0, nxpk= 0, iat=1420,1454, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 88 ALA QB 89 GLN H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1422,1423,1424,
&end
#
# 88 ALA QB 89 GLN HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1422,1423,1424,
&end
#
# 88 ALA QB 89 GLN HE21 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1422,1423,1424,
&end
#
# 88 ALA QB 89 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1422,1423,1424,
&end
#
# 88 ALA QB 89 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1422,1423,1424,
igr2=1435,1436,
&end
#
# 88 ALA QB 90 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1422,1423,1424,
&end
#
# 89 GLN HA 89 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1430,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLN HA 89 GLN QG 4.18
&rst
ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1435,1436,
&end
#
# 89 GLN HA 90 GLY QA 4.38
&rst
ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1447,1448,
&end
#
# 89 GLN HB2 90 GLY H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1432,1445, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 89 GLN HB2 90 GLY QA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1447,1448,
&end
#
# 89 GLN HB3 90 GLY QA 5.18
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1447,1448,
&end
#
# 89 GLN QG 89 GLN HE21 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1435,1436,
&end
#
# 90 GLY H 91 ARG H 3.49
&rst
ixpk= 0, nxpk= 0, iat=1445,1452, 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= -1,1454, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1447,1448,
&end
#
# 90 GLY QA 91 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1459, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1447,1448,
&end
#
# 91 ARG H 91 ARG HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1452,1459, 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=1452, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1456,1457,
&end
#
# 91 ARG H 91 ARG QD 5.40
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1462,1463,
&end
#
# 91 ARG H 92 ARG H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1452,1476, 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=1454,1459, 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=1454, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1462,1463,
&end
#
# 91 ARG HA 94 GLU HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat=1454,1524, 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=1454, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1526,1527,
&end
#
# 91 ARG QB 93 LEU H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1456,1457,
&end
#
# 92 ARG H 92 ARG HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1476,1481, 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=1476,1483, 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=1476,1484, 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=1476, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1486,1487,
&end
#
# 92 ARG H 93 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1509,1510,1511,1513,1514,1515,
&end
#
# 92 ARG H 94 GLU H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1476,1519, 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=1478, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1486,1487,
&end
#
# 92 ARG HB3 92 ARG HG2 2.91
&rst
ixpk= 0, nxpk= 0, iat=1481,1483, 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=1481, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1504,1505,
&end
#
# 92 ARG HG3 93 LEU H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1484,1500, 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=1500, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1509,1510,1511,1513,1514,1515,
&end
#
# 93 LEU HA 93 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1509,1510,1511,1513,1514,1515,
&end
#
# 93 LEU QQD 94 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1509,1510,1511,1513,1514,1515,
&end
#
# 94 GLU H 94 GLU HG2 5.23
&rst
ixpk= 0, nxpk= 0, iat=1519,1526, 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=1519,1534, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 94 GLU HB2 94 GLU QG 2.79
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=1526,1527,
&end
#
# 95 LEU H 96 VAL H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1534,1553, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 95 LEU H 96 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1559,1560,1561,1563,1564,1565,
&end
#
# 96 VAL H 96 VAL HB 3.64
&rst
ixpk= 0, nxpk= 0, iat=1553,1557, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 96 VAL H 96 VAL QQG 3.90
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1559,1560,1561,1563,1564,1565,
&end
#
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