NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588722 |
2rux   |
11477 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 7 GLY QA 8 LEU HG 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr1= 64, 65,
&end
#
# 7 GLY QA 8 LEU HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 64, 65,
&end
#
# 7 GLY QA 8 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 64, 65,
igr2= 78, 79, 80,
&end
#
# 7 GLY QA 8 LEU QD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 64, 65,
igr2= 82, 83, 84,
&end
#
# 7 GLY QA 9 LEU HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 64, 65,
&end
#
# 8 LEU HA 10 TYR HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 71, 107, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 8 LEU HA 20 LYS HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 71, 279, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 8 LEU HA 20 LYS QG 4.46
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 284, 285,
&end
#
# 8 LEU HA 8 LEU HG 3.70
&rst
ixpk= 0, nxpk= 0, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 8 LEU HA 8 LEU QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 78, 79, 80,
&end
#
# 8 LEU HA 8 LEU QD2 3.28
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 82, 83, 84,
&end
#
# 8 LEU HA 9 LEU HN 2.54
&rst
ixpk= 0, nxpk= 0, iat= 71, 88, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end
#
# 8 LEU HA 9 LEU QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 92, 93,
&end
#
# 8 LEU HB2 10 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 73, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LEU HB2 8 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 78, 79, 80,
&end
#
# 8 LEU HB2 9 LEU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 73, 88, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 8 LEU HB3 8 LEU QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 78, 79, 80,
&end
#
# 8 LEU HB3 8 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 82, 83, 84,
&end
#
# 8 LEU HB3 9 LEU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= 74, 88, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 8 LEU HN 8 LEU HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 LEU HN 8 LEU HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 69, 74, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 8 LEU HN 8 LEU HG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 69, 76, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 8 LEU HN 8 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 78, 79, 80,
&end
#
# 8 LEU HN 8 LEU QD2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 82, 83, 84,
&end
#
# 8 LEU HN 9 LEU HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 69, 90, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 8 LEU QD1 18 LYS HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 78, 79, 80,
&end
#
# 8 LEU QD1 18 LYS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 78, 79, 80,
&end
#
# 8 LEU QD1 18 LYS HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 78, 79, 80,
&end
#
# 8 LEU QD1 18 LYS QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 78, 79, 80,
igr2= 245, 246,
&end
#
# 8 LEU QD1 18 LYS QE 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 78, 79, 80,
igr2= 248, 249,
&end
#
# 8 LEU QD2 10 TYR HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 82, 83, 84,
&end
#
# 8 LEU QD2 10 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= 82, 83, 84,
igr2= 115, 124,
&end
#
# 8 LEU QD2 19 PHE HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 82, 83, 84,
&end
#
# 8 LEU QD2 20 LYS HA 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 82, 83, 84,
&end
#
# 8 LEU QD2 20 LYS HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 82, 83, 84,
&end
#
# 8 LEU QD2 20 LYS HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 82, 83, 84,
&end
#
# 8 LEU QD2 20 LYS QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 82, 83, 84,
igr2= 287, 288,
&end
#
# 8 LEU QD2 20 LYS QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 82, 83, 84,
igr2= 290, 291,
&end
#
# 8 LEU QD2 20 LYS QG 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 82, 83, 84,
igr2= 284, 285,
&end
#
# 8 LEU QD2 21 ASN HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 82, 83, 84,
&end
#
# 8 LEU QD2 9 LEU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 82, 83, 84,
&end
#
# 9 LEU HA 9 LEU HG 4.01
&rst
ixpk= 0, nxpk= 0, iat= 90, 95, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 9 LEU HA 9 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 97, 98, 99,
&end
#
# 9 LEU HA 9 LEU QD2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 101, 102, 103,
&end
#
# 9 LEU HA 9 LEU QQD 3.03
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU HB2 10 TYR HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 92, 107, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 9 LEU HB2 10 TYR QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 115, 124,
&end
#
# 9 LEU HB2 10 TYR QE 4.58
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 117, 122,
&end
#
# 9 LEU HB3 10 TYR HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 93, 107, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 9 LEU HB3 10 TYR QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 115, 124,
&end
#
# 9 LEU HB3 10 TYR QE 4.58
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 117, 122,
&end
#
# 9 LEU HG 10 TYR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 95, 107, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 9 LEU HN 10 TYR HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 88, 107, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 9 LEU HN 10 TYR QD 4.35
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 115, 124,
&end
#
# 9 LEU HN 10 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 117, 122,
&end
#
# 9 LEU HN 20 LYS HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 88, 279, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 9 LEU HN 9 LEU HG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 88, 95, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 9 LEU HN 9 LEU QB 2.69
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2= 92, 93,
&end
#
# 9 LEU HN 9 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 97, 98, 99,
&end
#
# 9 LEU HN 9 LEU QD2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 101, 102, 103,
&end
#
# 9 LEU HN 9 LEU QQD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QB 10 TYR QE 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 92, 93,
igr2= 117, 122,
&end
#
# 9 LEU QB 9 LEU QQD 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 92, 93,
igr2= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QD1 10 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 97, 98, 99,
&end
#
# 9 LEU QD2 10 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 101, 102, 103,
&end
#
# 9 LEU QQD 10 TYR HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 97, 98, 99, 101, 102, 103,
&end
#
# 9 LEU QQD 10 TYR QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 115, 124,
&end
#
# 9 LEU QQD 10 TYR QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 97, 98, 99, 101, 102, 103,
igr2= 117, 122,
&end
#
# 10 TYR HA 10 TYR QD 3.40
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 115, 124,
&end
#
# 10 TYR HA 10 TYR QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 117, 122,
&end
#
# 10 TYR HA 11 ASP HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 109, 128, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 10 TYR HA 11 ASP QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 132, 133,
&end
#
# 10 TYR HA 19 PHE HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 109, 257, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 10 TYR HA 25 ARG QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 366, 367,
&end
#
# 10 TYR HB2 11 ASP HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 111, 128, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 10 TYR HB2 19 PHE HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 111, 261, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 10 TYR HB2 19 PHE HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 111, 262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 TYR HB2 19 PHE HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 111, 257, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 10 TYR HB2 19 PHE QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 265, 273,
&end
#
# 10 TYR HB2 21 ASN HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 111, 299, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 10 TYR HB2 22 GLU HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= 111, 315, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 10 TYR HB2 25 ARG HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 111, 363, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 10 TYR HB2 25 ARG HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 111, 364, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 10 TYR HB2 25 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 111, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR HB2 25 ARG HE 5.24
&rst
ixpk= 0, nxpk= 0, iat= 111, 372, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 10 TYR HB2 25 ARG HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 111, 359, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 10 TYR HB2 25 ARG QG 4.04
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 366, 367,
&end
#
# 10 TYR HB3 11 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 132, 133,
&end
#
# 10 TYR HB3 19 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 112, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR HB3 19 PHE QD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 265, 273,
&end
#
# 10 TYR HB3 22 GLU HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 112, 315, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 10 TYR HB3 25 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 112, 361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR HB3 25 ARG HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 112, 363, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 10 TYR HB3 25 ARG HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= 112, 364, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 10 TYR HB3 25 ARG HD3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 112, 370, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 10 TYR HB3 25 ARG HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 112, 366, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 10 TYR HB3 25 ARG HG3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 112, 367, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 10 TYR HB3 25 ARG QG 3.86
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 366, 367,
&end
#
# 10 TYR HN 10 TYR HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 107, 111, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 10 TYR HN 10 TYR HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 107, 112, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 10 TYR HN 10 TYR QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 115, 124,
&end
#
# 10 TYR HN 10 TYR QE 4.63
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 117, 122,
&end
#
# 10 TYR HN 18 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR HN 18 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR HN 18 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 245, 246,
&end
#
# 10 TYR HN 19 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR HN 19 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 265, 273,
&end
#
# 10 TYR HN 21 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TYR QD 11 ASP HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 115, 124,
&end
#
# 10 TYR QD 19 PHE HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 115, 124,
&end
#
# 10 TYR QD 21 ASN HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 115, 124,
&end
#
# 10 TYR QD 22 GLU HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 115, 124,
&end
#
# 10 TYR QD 22 GLU HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 115, 124,
&end
#
# 10 TYR QD 22 GLU HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 115, 124,
&end
#
# 10 TYR QD 22 GLU HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 115, 124,
&end
#
# 10 TYR QD 22 GLU QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 115, 124,
igr2= 317, 318,
&end
#
# 10 TYR QD 22 GLU QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 115, 124,
igr2= 320, 321,
&end
#
# 10 TYR QD 23 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 115, 124,
&end
#
# 10 TYR QE 21 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 117, 122,
&end
#
# 10 TYR QE 22 GLU HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 117, 122,
&end
#
# 10 TYR QE 22 GLU HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 117, 122,
&end
#
# 10 TYR QE 22 GLU HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 117, 122,
&end
#
# 10 TYR QE 22 GLU HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 117, 122,
&end
#
# 10 TYR QE 22 GLU HG3 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 117, 122,
&end
#
# 10 TYR QE 22 GLU HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 117, 122,
&end
#
# 10 TYR QE 22 GLU QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 117, 122,
igr2= 317, 318,
&end
#
# 10 TYR QE 22 GLU QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 117, 122,
igr2= 320, 321,
&end
#
# 11 ASP HA 12 CYM HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 130, 145, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 11 ASP HA 12 CYM HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 130, 144, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 11 ASP HA 12 CYM HN 2.81
&rst
ixpk= 0, nxpk= 0, iat= 130, 140, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 11 ASP HA 18 LYS HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 130, 240, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 11 ASP HA 18 LYS QD 5.13
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 245, 246,
&end
#
# 11 ASP HA 18 LYS QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 242, 243,
&end
#
# 11 ASP HA 19 PHE HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 130, 257, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 11 ASP HA 19 PHE QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 265, 273,
&end
#
# 11 ASP HB2 12 CYM HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 132, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 11 ASP HB2 18 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 245, 246,
&end
#
# 11 ASP HB2 18 LYS QG 4.74
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 242, 243,
&end
#
# 11 ASP HB3 12 CYM HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 133, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 11 ASP HB3 18 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 245, 246,
&end
#
# 11 ASP HB3 18 LYS QG 4.74
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 242, 243,
&end
#
# 11 ASP HN 11 ASP QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 132, 133,
&end
#
# 11 ASP HN 18 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 242, 243,
&end
#
# 11 ASP HN 19 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 265, 273,
&end
#
# 11 ASP HN 25 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 128, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ASP HN 25 ARG HD3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 128, 370, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 11 ASP HN 25 ARG HG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 128, 366, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 11 ASP HN 25 ARG HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 128, 367, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 11 ASP HN 25 ARG QG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 366, 367,
&end
#
# 11 ASP QB 12 CYM HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 132, 133,
&end
#
# 11 ASP QB 18 LYS HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 132, 133,
&end
#
# 11 ASP QB 18 LYS QD 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 132, 133,
igr2= 245, 246,
&end
#
# 11 ASP QB 18 LYS QG 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 132, 133,
igr2= 242, 243,
&end
#
# 11 ASP QB 19 PHE HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 132, 133,
&end
#
# 12 CYM HA 25 ARG HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 142, 369, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 12 CYM HA 25 ARG HD3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 142, 370, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 12 CYM HA 25 ARG QG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 366, 367,
&end
#
# 12 CYM HA 28 HIS HD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 142, 432, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 12 CYM HA 29 MET QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 447, 448, 449,
&end
#
# 12 CYM HB2 15 CYM HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 145, 186, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 12 CYM HB2 16 GLU HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 145, 196, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 12 CYM HB2 17 ARG HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 145, 211, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 12 CYM HB2 17 ARG QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 215, 216,
&end
#
# 12 CYM HB2 19 PHE HZ 4.97
&rst
ixpk= 0, nxpk= 0, iat= 145, 269, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 12 CYM HB2 19 PHE QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 265, 273,
&end
#
# 12 CYM HB2 19 PHE QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 267, 271,
&end
#
# 12 CYM HB2 25 ARG HD3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 145, 370, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 12 CYM HB2 25 ARG QG 4.67
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 366, 367,
&end
#
# 12 CYM HB2 28 HIS HD2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 145, 432, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 12 CYM HB3 15 CYM HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 144, 186, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 12 CYM HB3 16 GLU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 144, 196, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 12 CYM HB3 17 ARG HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 144, 215, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 12 CYM HB3 17 ARG HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 144, 216, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 12 CYM HB3 17 ARG HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 144, 211, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 12 CYM HB3 17 ARG QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 215, 216,
&end
#
# 12 CYM HB3 19 PHE QD 5.31
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 265, 273,
&end
#
# 12 CYM HB3 19 PHE QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 267, 271,
&end
#
# 12 CYM HB3 28 HIS HD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 144, 432, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 12 CYM HN 12 CYM HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 140, 145, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 12 CYM HN 12 CYM HB3 3.07
&rst
ixpk= 0, nxpk= 0, iat= 140, 144, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 12 CYM HN 16 GLU HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 140, 198, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 12 CYM HN 16 GLU HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 140, 196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 12 CYM HN 17 ARG HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 140, 211, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 12 CYM HN 18 LYS HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= 140, 237, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 12 CYM HN 18 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 CYM HN 18 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 245, 246,
&end
#
# 12 CYM HN 18 LYS QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 242, 243,
&end
#
# 12 CYM HN 19 PHE QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 265, 273,
&end
#
# 12 CYM HN 19 PHE QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 267, 271,
&end
#
# 12 CYM HN 25 ARG QG 5.07
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 366, 367,
&end
#
# 12 CYM HN 28 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 HIS HB2 13 HIS HD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 154, 163, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 13 HIS HB2 14 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 180, 181, 182,
&end
#
# 13 HIS HB2 14 ILE QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 177, 178,
&end
#
# 13 HIS HB2 29 MET QE 5.26
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 447, 448, 449,
&end
#
# 13 HIS HB3 14 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 180, 181, 182,
&end
#
# 13 HIS HB3 14 ILE QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 177, 178,
&end
#
# 13 HIS HB3 29 MET QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 447, 448, 449,
&end
#
# 13 HIS HD2 14 ILE QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 180, 181, 182,
&end
#
# 13 HIS HD2 14 ILE QG1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 177, 178,
&end
#
# 13 HIS HD2 29 MET QE 4.60
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 447, 448, 449,
&end
#
# 13 HIS HE1 14 ILE QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 180, 181, 182,
&end
#
# 13 HIS HE1 29 MET QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 447, 448, 449,
&end
#
# 14 ILE HA 14 ILE HG12 3.80
&rst
ixpk= 0, nxpk= 0, iat= 169, 177, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 14 ILE HA 14 ILE HG13 3.80
&rst
ixpk= 0, nxpk= 0, iat= 169, 178, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 14 ILE HA 14 ILE QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 180, 181, 182,
&end
#
# 14 ILE HA 14 ILE QG1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 177, 178,
&end
#
# 14 ILE HA 14 ILE QG2 3.21
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 173, 174, 175,
&end
#
# 14 ILE HB 14 ILE QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 180, 181, 182,
&end
#
# 14 ILE HB 15 CYM HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 171, 190, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 14 ILE HB 15 CYM HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 171, 186, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 14 ILE HB 29 MET QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 447, 448, 449,
&end
#
# 14 ILE HB 32 HIS HD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 171, 501, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 14 ILE HB 32 HIS HE1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 171, 498, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 14 ILE HG12 15 CYM HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 177, 186, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 14 ILE HG12 29 MET QE 4.12
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 447, 448, 449,
&end
#
# 14 ILE HG13 15 CYM HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 178, 186, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 14 ILE HG13 29 MET QE 4.12
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 447, 448, 449,
&end
#
# 14 ILE HN 14 ILE HB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 167, 171, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 14 ILE HN 15 CYM HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 167, 186, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 14 ILE QD1 15 CYM HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 180, 181, 182,
&end
#
# 14 ILE QD1 29 MET QE 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 180, 181, 182,
igr2= 447, 448, 449,
&end
#
# 14 ILE QD1 32 HIS HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 180, 181, 182,
&end
#
# 14 ILE QD1 32 HIS HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 180, 181, 182,
&end
#
# 14 ILE QD1 32 HIS HD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 180, 181, 182,
&end
#
# 14 ILE QG1 15 CYM HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 177, 178,
&end
#
# 14 ILE QG1 32 HIS HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 177, 178,
&end
#
# 14 ILE QG1 32 HIS HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 177, 178,
&end
#
# 14 ILE QG1 32 HIS HD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 177, 178,
&end
#
# 14 ILE QG1 32 HIS HE1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 177, 178,
&end
#
# 14 ILE QG2 14 ILE HG12 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 14 ILE HG13 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 14 ILE QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 173, 174, 175,
igr2= 180, 181, 182,
&end
#
# 14 ILE QG2 14 ILE QG1 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 173, 174, 175,
igr2= 177, 178,
&end
#
# 14 ILE QG2 15 CYM HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 15 CYM HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 15 CYM HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 15 CYM HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 29 MET QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 173, 174, 175,
igr2= 447, 448, 449,
&end
#
# 14 ILE QG2 32 HIS HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 32 HIS HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 32 HIS HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 173, 174, 175,
&end
#
# 14 ILE QG2 32 HIS HE1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 173, 174, 175,
&end
#
# 15 CYM HA 16 GLU QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 200, 201,
&end
#
# 15 CYM HA 32 HIS HE1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 188, 498, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 15 CYM HB2 16 GLU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 CYM HB2 16 GLU QB 4.82
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 200, 201,
&end
#
# 15 CYM HB2 32 HIS HE1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 191, 498, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 15 CYM HB3 16 GLU HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 190, 196, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 15 CYM HB3 16 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 200, 201,
&end
#
# 15 CYM HB3 32 HIS HE1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 190, 498, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 15 CYM HN 15 CYM HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 186, 191, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 CYM HN 15 CYM HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 186, 190, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 15 CYM HN 16 GLU HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 186, 198, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 15 CYM HN 16 GLU HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 186, 196, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 15 CYM HN 16 GLU QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 200, 201,
&end
#
# 15 CYM HN 16 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 203, 204,
&end
#
# 15 CYM HN 17 ARG HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 186, 211, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 15 CYM HN 32 HIS HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 186, 498, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 GLU HA 16 GLU QG 3.27
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 203, 204,
&end
#
# 16 GLU HN 16 GLU QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 200, 201,
&end
#
# 16 GLU HN 16 GLU QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 203, 204,
&end
#
# 16 GLU QB 17 ARG HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 200, 201,
&end
#
# 16 GLU QB 17 ARG HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 200, 201,
&end
#
# 16 GLU QG 17 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 203, 204,
&end
#
# 17 ARG HA 17 ARG HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 213, 221, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 17 ARG HA 17 ARG HD3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 213, 222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 17 ARG HA 17 ARG HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 17 ARG HA 17 ARG HG3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 213, 219, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 17 ARG HA 17 ARG QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 221, 222,
&end
#
# 17 ARG HA 17 ARG QG 3.12
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 218, 219,
&end
#
# 17 ARG HA 18 LYS HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 213, 239, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 17 ARG HA 18 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ARG HA 18 LYS HN 2.67
&rst
ixpk= 0, nxpk= 0, iat= 213, 235, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 17 ARG HA 18 LYS QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 242, 243,
&end
#
# 17 ARG HB2 19 PHE HZ 4.39
&rst
ixpk= 0, nxpk= 0, iat= 215, 269, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 17 ARG HB2 19 PHE QE 4.24
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 267, 271,
&end
#
# 17 ARG HB3 19 PHE HZ 4.39
&rst
ixpk= 0, nxpk= 0, iat= 216, 269, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 17 ARG HB3 19 PHE QE 4.24
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 267, 271,
&end
#
# 17 ARG HD2 18 LYS HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 17 ARG HD2 19 PHE HZ 4.57
&rst
ixpk= 0, nxpk= 0, iat= 221, 269, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 17 ARG HD3 18 LYS HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 222, 235, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 17 ARG HD3 19 PHE HZ 4.57
&rst
ixpk= 0, nxpk= 0, iat= 222, 269, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 17 ARG HG2 18 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 218, 235, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 17 ARG HG2 19 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ARG HG3 18 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 219, 235, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 17 ARG HG3 19 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ARG HN 17 ARG HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 211, 215, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 17 ARG HN 17 ARG HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 211, 216, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 17 ARG HN 17 ARG HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 211, 218, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 17 ARG HN 17 ARG HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 211, 219, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 17 ARG HN 17 ARG QG 3.73
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 218, 219,
&end
#
# 17 ARG HN 18 LYS HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 211, 235, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 17 ARG QB 17 ARG QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 215, 216,
igr2= 221, 222,
&end
#
# 17 ARG QB 18 LYS HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 215, 216,
&end
#
# 17 ARG QB 19 PHE HZ 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 215, 216,
&end
#
# 17 ARG QB 19 PHE QE 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 215, 216,
igr2= 267, 271,
&end
#
# 17 ARG QB 28 HIS HD2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 215, 216,
&end
#
# 17 ARG QB 28 HIS HE1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 215, 216,
&end
#
# 17 ARG QD 18 LYS HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 221, 222,
&end
#
# 17 ARG QD 19 PHE QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 221, 222,
igr2= 267, 271,
&end
#
# 17 ARG QD 28 HIS HE1 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 221, 222,
&end
#
# 17 ARG QG 19 PHE HZ 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 218, 219,
&end
#
# 17 ARG QG 19 PHE QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 218, 219,
igr2= 267, 271,
&end
#
# 17 ARG QG 28 HIS HE1 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 218, 219,
&end
#
# 18 LYS HA 18 LYS QD 4.64
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 245, 246,
&end
#
# 18 LYS HA 18 LYS QG 3.88
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 242, 243,
&end
#
# 18 LYS HA 19 PHE HN 2.79
&rst
ixpk= 0, nxpk= 0, iat= 237, 257, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 18 LYS HA 19 PHE QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 265, 273,
&end
#
# 18 LYS HB2 18 LYS QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 248, 249,
&end
#
# 18 LYS HB2 19 PHE HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 239, 257, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 18 LYS HB3 18 LYS QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 248, 249,
&end
#
# 18 LYS HB3 18 LYS QG 2.74
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 242, 243,
&end
#
# 18 LYS HB3 19 PHE HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 18 LYS HN 18 LYS HB2 3.07
&rst
ixpk= 0, nxpk= 0, iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 18 LYS HN 18 LYS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 18 LYS HN 18 LYS QD 5.19
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 245, 246,
&end
#
# 18 LYS HN 18 LYS QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 242, 243,
&end
#
# 18 LYS HN 19 PHE HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 235, 257, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 18 LYS QD 19 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 246,
&end
#
# 18 LYS QE 19 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 18 LYS QG 18 LYS QD 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 242, 243,
igr2= 245, 246,
&end
#
# 18 LYS QG 18 LYS QE 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 242, 243,
igr2= 248, 249,
&end
#
# 18 LYS QG 19 PHE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 242, 243,
&end
#
# 19 PHE HA 19 PHE QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 265, 273,
&end
#
# 19 PHE HB2 20 LYS HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 261, 279, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 19 PHE HB2 20 LYS HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 261, 277, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 19 PHE HB2 21 ASN HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 261, 299, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 19 PHE HB2 22 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 261, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HB2 25 ARG HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 261, 361, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 19 PHE HB2 25 ARG HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 261, 363, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 PHE HB2 25 ARG HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 261, 364, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 19 PHE HB2 25 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 261, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HB2 25 ARG HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 261, 359, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 19 PHE HB2 25 ARG QG 4.73
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 366, 367,
&end
#
# 19 PHE HB3 20 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 262, 277, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 19 PHE HB3 21 ASN HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= 262, 299, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 19 PHE HB3 24 ASP HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 262, 347, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 19 PHE HB3 24 ASP QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 351, 352,
&end
#
# 19 PHE HB3 25 ARG HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 262, 361, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 19 PHE HB3 25 ARG HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 262, 363, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 19 PHE HB3 25 ARG HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 262, 364, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 19 PHE HB3 25 ARG HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 262, 359, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 19 PHE HN 19 PHE HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 19 PHE HN 19 PHE HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 19 PHE HN 19 PHE QD 3.02
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 265, 273,
&end
#
# 19 PHE HN 19 PHE QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 267, 271,
&end
#
# 19 PHE HN 20 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 257, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HN 25 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 257, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PHE HN 25 ARG QG 4.89
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 366, 367,
&end
#
# 19 PHE HZ 25 ARG HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 269, 361, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 19 PHE HZ 28 HIS HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 269, 423, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 19 PHE HZ 28 HIS HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 269, 424, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 19 PHE HZ 28 HIS HD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 269, 432, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 19 PHE HZ 28 HIS HE1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 269, 429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 19 PHE HZ 28 HIS HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 269, 419, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 19 PHE QD 21 ASN HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 265, 273,
&end
#
# 19 PHE QD 24 ASP HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 265, 273,
&end
#
# 19 PHE QD 24 ASP QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 265, 273,
igr2= 351, 352,
&end
#
# 19 PHE QD 25 ARG HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 265, 273,
&end
#
# 19 PHE QD 25 ARG HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 265, 273,
&end
#
# 19 PHE QD 25 ARG HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 265, 273,
&end
#
# 19 PHE QD 25 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 265, 273,
&end
#
# 19 PHE QD 25 ARG HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 265, 273,
&end
#
# 19 PHE QD 25 ARG HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 265, 273,
&end
#
# 19 PHE QD 25 ARG HG3 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 265, 273,
&end
#
# 19 PHE QD 25 ARG HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 265, 273,
&end
#
# 19 PHE QD 25 ARG QG 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 265, 273,
igr2= 366, 367,
&end
#
# 19 PHE QD 28 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 265, 273,
&end
#
# 19 PHE QE 24 ASP QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 267, 271,
igr2= 351, 352,
&end
#
# 19 PHE QE 25 ARG HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 267, 271,
&end
#
# 19 PHE QE 25 ARG QG 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 267, 271,
igr2= 366, 367,
&end
#
# 19 PHE QE 28 HIS HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 267, 271,
&end
#
# 19 PHE QE 28 HIS HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 267, 271,
&end
#
# 19 PHE QE 28 HIS HD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 267, 271,
&end
#
# 19 PHE QE 28 HIS HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 267, 271,
&end
#
# 20 LYS HA 20 LYS QD 4.26
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 287, 288,
&end
#
# 20 LYS HA 20 LYS QG 3.87
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 284, 285,
&end
#
# 20 LYS HB2 20 LYS QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 287, 288,
&end
#
# 20 LYS HB2 21 ASN HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 281, 299, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 LYS HB3 20 LYS QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 287, 288,
&end
#
# 20 LYS HB3 21 ASN HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 282, 299, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 LYS HN 20 LYS QG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 284, 285,
&end
#
# 20 LYS HN 21 ASN HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= 277, 299, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 20 LYS HN 24 ASP QB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 351, 352,
&end
#
# 20 LYS QB 21 ASN HD21 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 281, 282,
&end
#
# 20 LYS QB 21 ASN HD22 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 281, 282,
&end
#
# 20 LYS QD 21 ASN HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 287, 288,
&end
#
# 20 LYS QG 20 LYS QD 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1= 284, 285,
igr2= 287, 288,
&end
#
# 20 LYS QG 20 LYS QE 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 284, 285,
igr2= 290, 291,
&end
#
# 20 LYS QG 21 ASN HD21 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 284, 285,
&end
#
# 20 LYS QG 21 ASN HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 284, 285,
&end
#
# 20 LYS QG 24 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 284, 285,
igr2= 351, 352,
&end
#
# 21 ASN HB2 22 GLU HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 303, 313, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 21 ASN HB2 23 LEU HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 303, 333, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 21 ASN HB3 22 GLU HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 304, 313, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 21 ASN HB3 23 LEU HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 304, 333, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 21 ASN HD21 22 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASN HD21 23 LEU HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 308, 333, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 21 ASN HD21 24 ASP HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 308, 347, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 21 ASN HD22 23 LEU QQD 5.37
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2= 337, 338, 339, 341, 342, 343,
&end
#
# 21 ASN HD22 24 ASP HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 309, 347, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 21 ASN HN 21 ASN HD22 4.72
&rst
ixpk= 0, nxpk= 0, iat= 299, 309, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 21 ASN HN 21 ASN QB 3.41
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 303, 304,
&end
#
# 21 ASN HN 22 GLU HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 21 ASN HN 24 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASN HN 24 ASP QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 351, 352,
&end
#
# 21 ASN HN 25 ARG HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 299, 363, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 21 ASN HN 25 ARG HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 299, 359, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 21 ASN QB 21 ASN HD21 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 303, 304,
&end
#
# 21 ASN QB 21 ASN HD22 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 303, 304,
&end
#
# 21 ASN QB 22 GLU HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 303, 304,
&end
#
# 21 ASN QB 23 LEU HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 303, 304,
&end
#
# 21 ASN QB 23 LEU QQD 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1= 303, 304,
igr2= 337, 338, 339, 341, 342, 343,
&end
#
# 21 ASN QB 24 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 303, 304,
&end
#
# 22 GLU HA 22 GLU HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 315, 320, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 22 GLU HA 22 GLU HG3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 315, 321, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 22 GLU HA 22 GLU QG 3.25
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 320, 321,
&end
#
# 22 GLU HA 24 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 351, 352,
&end
#
# 22 GLU HA 25 ARG HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 315, 363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 GLU HA 25 ARG HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 315, 364, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 22 GLU HA 25 ARG HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= 315, 359, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 22 GLU HA 26 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 315, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLU HA 26 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 387, 388,
&end
#
# 22 GLU HB2 23 LEU HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 317, 328, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 22 GLU HB3 23 LEU HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 22 GLU HN 22 GLU HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 313, 317, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 22 GLU HN 22 GLU HB3 3.22
&rst
ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 22 GLU HN 22 GLU HG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 22 GLU HN 22 GLU HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 22 GLU HN 22 GLU QB 2.80
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 317, 318,
&end
#
# 22 GLU HN 23 LEU HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 313, 328, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 22 GLU HN 24 ASP HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 313, 347, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 22 GLU HN 25 ARG HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 313, 359, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 GLU QB 23 LEU HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 317, 318,
&end
#
# 22 GLU QG 23 LEU HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 320, 321,
&end
#
# 22 GLU QG 26 ASP HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 320, 321,
&end
#
# 23 LEU HA 23 LEU HG 4.04
&rst
ixpk= 0, nxpk= 0, iat= 330, 335, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 23 LEU HA 23 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 337, 338, 339,
&end
#
# 23 LEU HA 23 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 341, 342, 343,
&end
#
# 23 LEU HA 23 LEU QQD 3.18
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 337, 338, 339, 341, 342, 343,
&end
#
# 23 LEU HA 25 ARG HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 330, 359, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 23 LEU HA 26 ASP HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= 330, 383, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 23 LEU HA 26 ASP QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 387, 388,
&end
#
# 23 LEU HA 27 ARG HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 330, 395, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 23 LEU HB2 23 LEU QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 337, 338, 339,
&end
#
# 23 LEU HB2 23 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 341, 342, 343,
&end
#
# 23 LEU HB2 26 ASP QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 387, 388,
&end
#
# 23 LEU HB3 24 ASP QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 351, 352,
&end
#
# 23 LEU HG 24 ASP HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 23 LEU HG 24 ASP HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 23 LEU HG 24 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 351, 352,
&end
#
# 23 LEU HG 26 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 387, 388,
&end
#
# 23 LEU HG 27 ARG HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 335, 395, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 23 LEU HG 27 ARG QD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 405, 406,
&end
#
# 23 LEU HN 23 LEU HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 23 LEU HN 23 LEU HB3 2.64
&rst
ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 23 LEU HN 23 LEU HG 4.37
&rst
ixpk= 0, nxpk= 0, iat= 328, 335, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 23 LEU HN 23 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 337, 338, 339,
&end
#
# 23 LEU HN 23 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 341, 342, 343,
&end
#
# 23 LEU HN 24 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 328, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 LEU HN 25 ARG HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 328, 359, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 LEU HN 26 ASP HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 328, 383, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 23 LEU QD1 24 ASP HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 337, 338, 339,
&end
#
# 23 LEU QD1 27 ARG QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 337, 338, 339,
igr2= 405, 406,
&end
#
# 23 LEU QD2 24 ASP HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 341, 342, 343,
&end
#
# 23 LEU QD2 27 ARG QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 341, 342, 343,
igr2= 405, 406,
&end
#
# 23 LEU QQD 24 ASP HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 337, 338, 339, 341, 342, 343,
&end
#
# 23 LEU QQD 24 ASP QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 337, 338, 339, 341, 342, 343,
igr2= 351, 352,
&end
#
# 23 LEU QQD 26 ASP QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 337, 338, 339, 341, 342, 343,
igr2= 387, 388,
&end
#
# 23 LEU QQD 27 ARG HG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 337, 338, 339, 341, 342, 343,
&end
#
# 23 LEU QQD 27 ARG HG3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 337, 338, 339, 341, 342, 343,
&end
#
# 23 LEU QQD 27 ARG HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 337, 338, 339, 341, 342, 343,
&end
#
# 23 LEU QQD 27 ARG QB 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 337, 338, 339, 341, 342, 343,
igr2= 399, 400,
&end
#
# 23 LEU QQD 27 ARG QD 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 337, 338, 339, 341, 342, 343,
igr2= 405, 406,
&end
#
# 24 ASP HA 24 ASP QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 351, 352,
&end
#
# 24 ASP HA 25 ARG HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 24 ASP HA 27 ARG HG2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 349, 402, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 24 ASP HA 27 ARG HG3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 349, 403, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 24 ASP HA 27 ARG HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 349, 395, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 24 ASP HA 27 ARG QD 4.09
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 405, 406,
&end
#
# 24 ASP HN 24 ASP QB 2.88
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 351, 352,
&end
#
# 24 ASP HN 25 ARG HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 347, 363, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 24 ASP HN 25 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ASP HN 25 ARG HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 347, 359, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 24 ASP HN 26 ASP HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 347, 383, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 24 ASP HN 27 ARG HG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 347, 402, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 24 ASP QB 25 ARG HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 351, 352,
&end
#
# 24 ASP QB 25 ARG HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 351, 352,
&end
#
# 24 ASP QB 25 ARG HN 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1= 351, 352,
&end
#
# 24 ASP QB 27 ARG HG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 351, 352,
&end
#
# 25 ARG HA 25 ARG HD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 25 ARG HA 25 ARG HD3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 361, 370, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 ARG HA 25 ARG HE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 25 ARG HA 25 ARG HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 ARG HA 25 ARG HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 361, 367, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 ARG HA 25 ARG QG 3.33
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 366, 367,
&end
#
# 25 ARG HA 26 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 361, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HA 27 ARG HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 361, 395, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 25 ARG HA 28 HIS HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 361, 423, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 25 ARG HA 28 HIS HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 361, 424, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 25 ARG HA 28 HIS HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 361, 432, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 25 ARG HA 28 HIS HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 361, 419, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 25 ARG HA 29 MET HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 361, 436, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 25 ARG HB2 25 ARG HE 4.77
&rst
ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 25 ARG HB2 26 ASP HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 363, 383, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 25 ARG HB3 25 ARG HD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 364, 369, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 25 ARG HB3 25 ARG HE 4.06
&rst
ixpk= 0, nxpk= 0, iat= 364, 372, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 25 ARG HB3 26 ASP HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= 364, 385, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 ARG HB3 26 ASP HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= 364, 383, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 25 ARG HB3 26 ASP QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 387, 388,
&end
#
# 25 ARG HB3 27 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 364, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HB3 28 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 364, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HD2 26 ASP HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 369, 385, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 25 ARG HD2 26 ASP HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 ARG HD2 29 MET QG 4.24
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 443, 444,
&end
#
# 25 ARG HD3 26 ASP HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 370, 385, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 25 ARG HD3 26 ASP HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 370, 383, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 25 ARG HD3 29 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 370, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HD3 29 MET QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 447, 448, 449,
&end
#
# 25 ARG HD3 29 MET QG 5.17
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 443, 444,
&end
#
# 25 ARG HE 26 ASP HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 372, 385, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 25 ARG HE 26 ASP HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 372, 383, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 25 ARG HE 26 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 387, 388,
&end
#
# 25 ARG HN 25 ARG HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 25 ARG HN 25 ARG HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 25 ARG HN 25 ARG HD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 359, 369, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 25 ARG HN 25 ARG HE 5.38
&rst
ixpk= 0, nxpk= 0, iat= 359, 372, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 25 ARG HN 25 ARG HG2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 25 ARG HN 25 ARG HG3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 359, 367, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 25 ARG HN 25 ARG QG 4.30
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 366, 367,
&end
#
# 25 ARG HN 26 ASP HN 3.05
&rst
ixpk= 0, nxpk= 0, iat= 359, 383, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 25 ARG HN 27 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HN 27 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HN 27 ARG HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 359, 395, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 25 ARG HN 28 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ARG HN 28 HIS HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 359, 419, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 25 ARG QG 26 ASP HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 366, 367,
&end
#
# 25 ARG QG 28 HIS HD2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 366, 367,
&end
#
# 26 ASP HA 29 MET HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 385, 440, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 26 ASP HA 29 MET HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 385, 441, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 26 ASP HA 29 MET HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 385, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 ASP HA 29 MET HG3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 385, 444, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 ASP HA 29 MET HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 385, 436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 ASP HA 29 MET QE 5.19
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 447, 448, 449,
&end
#
# 26 ASP HA 29 MET QG 3.60
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 443, 444,
&end
#
# 26 ASP HB2 27 ARG HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 387, 397, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 26 ASP HB2 27 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 387, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASP HB2 27 ARG HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 26 ASP HB3 27 ARG HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 388, 397, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 26 ASP HB3 27 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASP HB3 27 ARG HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 26 ASP HN 26 ASP HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 26 ASP HN 26 ASP HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 26 ASP HN 26 ASP QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 387, 388,
&end
#
# 26 ASP HN 27 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 383, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASP HN 27 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 383, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ASP HN 27 ARG HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 26 ASP HN 27 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 399, 400,
&end
#
# 26 ASP HN 28 HIS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 383, 419, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 26 ASP QB 27 ARG HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 387, 388,
&end
#
# 26 ASP QB 27 ARG QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 387, 388,
igr2= 399, 400,
&end
#
# 26 ASP QB 29 MET HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 387, 388,
&end
#
# 26 ASP QB 30 LEU QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 387, 388,
igr2= 466, 467, 468,
&end
#
# 27 ARG HA 27 ARG HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 27 ARG HA 27 ARG QB 2.80
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 399, 400,
&end
#
# 27 ARG HA 27 ARG QD 4.24
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 405, 406,
&end
#
# 27 ARG HA 29 MET HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 397, 436, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 27 ARG HA 30 LEU HG 3.89
&rst
ixpk= 0, nxpk= 0, iat= 397, 460, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 27 ARG HA 30 LEU HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 397, 453, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 27 ARG HA 30 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 462, 463, 464,
&end
#
# 27 ARG HA 30 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 466, 467, 468,
&end
#
# 27 ARG HG2 28 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ARG HG2 28 HIS HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 27 ARG HG3 28 HIS HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 403, 421, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 27 ARG HG3 28 HIS HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 403, 419, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 27 ARG HG3 30 LEU QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 462, 463, 464,
&end
#
# 27 ARG HN 27 ARG HG2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 395, 402, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 27 ARG HN 27 ARG HG3 3.57
&rst
ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 27 ARG HN 27 ARG QB 2.80
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 399, 400,
&end
#
# 27 ARG HN 27 ARG QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 405, 406,
&end
#
# 27 ARG HN 28 HIS HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 395, 424, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 27 ARG HN 28 HIS HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 27 ARG HN 29 MET HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 395, 436, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 27 ARG HN 30 LEU HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 395, 453, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 27 ARG QB 27 ARG HG3 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr1= 399, 400,
&end
#
# 27 ARG QB 27 ARG QD 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 399, 400,
igr2= 405, 406,
&end
#
# 27 ARG QB 28 HIS HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 399, 400,
&end
#
# 27 ARG QB 28 HIS HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 399, 400,
&end
#
# 27 ARG QB 29 MET HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 399, 400,
&end
#
# 27 ARG QB 30 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 399, 400,
igr2= 462, 463, 464,
&end
#
# 27 ARG QB 30 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 399, 400,
igr2= 466, 467, 468,
&end
#
# 27 ARG QD 30 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 405, 406,
igr2= 462, 463, 464,
&end
#
# 28 HIS HA 28 HIS HD2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 421, 432, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 28 HIS HA 29 MET HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 28 HIS HA 30 LEU HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 421, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 HIS HA 31 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 421, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 HIS HA 31 VAL HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 421, 472, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 28 HIS HA 31 VAL QG1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 478, 479, 480,
&end
#
# 28 HIS HA 31 VAL QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 482, 483, 484,
&end
#
# 28 HIS HB2 29 MET HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 423, 436, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 HIS HB3 28 HIS HD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 424, 432, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 28 HIS HB3 29 MET HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 424, 436, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 28 HIS HB3 30 LEU HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 424, 453, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 28 HIS HD2 29 MET HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= 432, 438, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 28 HIS HD2 29 MET HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 28 HIS HD2 29 MET QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 447, 448, 449,
&end
#
# 28 HIS HD2 29 MET QG 4.24
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 443, 444,
&end
#
# 28 HIS HD2 31 VAL QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 482, 483, 484,
&end
#
# 28 HIS HD2 32 HIS HD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 432, 501, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 28 HIS HE1 31 VAL QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 478, 479, 480,
&end
#
# 28 HIS HE1 31 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 482, 483, 484,
&end
#
# 28 HIS HN 28 HIS HB2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 28 HIS HN 28 HIS HB3 2.74
&rst
ixpk= 0, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 28 HIS HN 29 MET HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= 419, 436, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 28 HIS HN 30 LEU HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 419, 453, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 MET HA 29 MET HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 438, 443, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 29 MET HA 29 MET HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 438, 444, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 29 MET HA 29 MET QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 447, 448, 449,
&end
#
# 29 MET HA 29 MET QG 3.45
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 443, 444,
&end
#
# 29 MET HA 31 VAL HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 438, 472, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 29 MET HA 31 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 478, 479, 480,
&end
#
# 29 MET HA 31 VAL QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 482, 483, 484,
&end
#
# 29 MET HA 32 HIS HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 438, 492, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 29 MET HA 32 HIS HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 438, 493, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 29 MET HA 32 HIS HD2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 438, 501, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 29 MET HA 32 HIS HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 438, 488, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 29 MET HB2 30 LEU HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 440, 453, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 29 MET HB2 32 HIS HD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 440, 501, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 29 MET HB3 30 LEU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 441, 453, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 29 MET HB3 32 HIS HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 441, 492, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 29 MET HB3 32 HIS HD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 441, 501, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 29 MET HG2 29 MET QE 3.62
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 447, 448, 449,
&end
#
# 29 MET HG2 30 LEU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 443, 453, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 MET HG2 32 HIS HD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 443, 501, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 29 MET HG3 29 MET QE 3.62
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 447, 448, 449,
&end
#
# 29 MET HG3 30 LEU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 444, 453, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 MET HG3 32 HIS HD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 444, 501, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 29 MET HN 29 MET HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 436, 440, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 29 MET HN 29 MET HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 436, 441, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 29 MET HN 29 MET HG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 436, 443, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 29 MET HN 29 MET HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 436, 444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 29 MET HN 29 MET QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 447, 448, 449,
&end
#
# 29 MET HN 29 MET QG 3.19
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 443, 444,
&end
#
# 29 MET HN 30 LEU HN 3.18
&rst
ixpk= 0, nxpk= 0, iat= 436, 453, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 29 MET HN 31 VAL HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 436, 472, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 29 MET HN 32 HIS HD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 436, 501, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 29 MET QE 32 HIS HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 447, 448, 449,
&end
#
# 29 MET QE 32 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 447, 448, 449,
&end
#
# 29 MET QE 32 HIS HD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 447, 448, 449,
&end
#
# 29 MET QG 29 MET QE 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 443, 444,
igr2= 447, 448, 449,
&end
#
# 29 MET QG 30 LEU HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 443, 444,
&end
#
# 29 MET QG 32 HIS HD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 443, 444,
&end
#
# 30 LEU HA 30 LEU HG 3.74
&rst
ixpk= 0, nxpk= 0, iat= 455, 460, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 30 LEU HA 30 LEU QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 462, 463, 464,
&end
#
# 30 LEU HA 30 LEU QD2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 466, 467, 468,
&end
#
# 30 LEU HA 32 HIS HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 LEU HA 33 GLY HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 455, 505, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 30 LEU HB2 30 LEU QD1 3.45
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 462, 463, 464,
&end
#
# 30 LEU HB2 31 VAL HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 30 LEU HB3 30 LEU QD1 3.34
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 462, 463, 464,
&end
#
# 30 LEU HB3 30 LEU QD2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 466, 467, 468,
&end
#
# 30 LEU HB3 31 VAL HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 458, 472, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 30 LEU HN 30 LEU HB2 2.86
&rst
ixpk= 0, nxpk= 0, iat= 453, 457, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 30 LEU HN 30 LEU HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 453, 458, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 30 LEU HN 30 LEU HG 2.81
&rst
ixpk= 0, nxpk= 0, iat= 453, 460, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 30 LEU HN 30 LEU QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 462, 463, 464,
&end
#
# 30 LEU HN 30 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 466, 467, 468,
&end
#
# 30 LEU HN 31 VAL HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 30 LEU HN 31 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 478, 479, 480,
&end
#
# 30 LEU HN 31 VAL QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 482, 483, 484,
&end
#
# 30 LEU HN 32 HIS HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 453, 488, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 31 VAL HA 31 VAL HB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 31 VAL HA 31 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 478, 479, 480,
&end
#
# 31 VAL HA 31 VAL QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 482, 483, 484,
&end
#
# 31 VAL HB 32 HIS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 476, 488, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 31 VAL HN 31 VAL HB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 VAL HN 31 VAL QG1 2.98
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 478, 479, 480,
&end
#
# 31 VAL HN 31 VAL QG2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 482, 483, 484,
&end
#
# 31 VAL HN 32 HIS HN 2.94
&rst
ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 31 VAL QG1 32 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 478, 479, 480,
&end
#
# 31 VAL QG1 32 HIS HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 478, 479, 480,
&end
#
# 31 VAL QG2 32 HIS HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 482, 483, 484,
&end
#
# 31 VAL QG2 32 HIS HD2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 482, 483, 484,
&end
#
# 31 VAL QG2 32 HIS HE1 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 482, 483, 484,
&end
#
# 31 VAL QG2 32 HIS HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 482, 483, 484,
&end
#
# 32 HIS HB2 32 HIS HD2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 HIS HB2 33 GLY HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 492, 505, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 32 HIS HB3 32 HIS HD2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 493, 501, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 32 HIS HB3 33 GLY HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 493, 505, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 32 HIS HD2 33 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 HIS HN 32 HIS HB2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 488, 492, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 32 HIS HN 32 HIS HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 32 HIS HN 32 HIS HD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 488, 501, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 32 HIS HN 33 GLY HN 3.20
&rst
ixpk= 0, nxpk= 0, iat= 488, 505, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 33 GLY HN 34 ASP HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 505, 512, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 33 GLY QA 34 ASP HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 507, 508,
&end
#
# 33 GLY QA 35 LYS HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 507, 508,
&end
#
# 34 ASP HA 35 LYS HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 514, 524, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 34 ASP HN 34 ASP QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 516, 517,
&end
#
# 34 ASP HN 35 LYS HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 512, 524, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 34 ASP QB 35 LYS HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 516, 517,
&end
#
# 34 ASP QB 36 TRP HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 516, 517,
&end
#
# 35 LYS HA 35 LYS QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 534, 535,
&end
#
# 35 LYS HA 35 LYS QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 531, 532,
&end
#
# 35 LYS HA 36 TRP HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 526, 546, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 35 LYS HB2 36 TRP HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 528, 546, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 35 LYS HB3 36 TRP HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 529, 546, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 35 LYS HN 35 LYS HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 524, 528, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 35 LYS HN 35 LYS HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 35 LYS HN 35 LYS QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 528, 529,
&end
#
# 35 LYS HN 35 LYS QD 4.27
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 534, 535,
&end
#
# 35 LYS HN 35 LYS QG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 531, 532,
&end
#
# 35 LYS HN 36 TRP HD1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 524, 554, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 35 LYS HN 36 TRP HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 524, 546, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 35 LYS QB 36 TRP HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 528, 529,
&end
#
# 35 LYS QD 36 TRP HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 534, 535,
&end
#
# 35 LYS QG 36 TRP HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 531, 532,
&end
#
# 36 TRP HA 36 TRP HD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 548, 554, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 36 TRP HA 36 TRP HE3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 548, 565, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 36 TRP HN 36 TRP HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 546, 550, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 36 TRP HN 36 TRP HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 36 TRP HN 36 TRP HD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 546, 554, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 36 TRP HN 36 TRP QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 550, 551,
&end
#
# 36 TRP QB 36 TRP HE3 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 550, 551,
&end
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