NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588804 |
2rv6   |
11488 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 7 GLY QA 8 LYS QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr1= 64, 65,
igr2= 73, 74,
&end
#
# 8 LYS HA 8 LYS QE 5.29
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 82, 83,
&end
#
# 8 LYS HA 8 LYS QG 3.73
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 76, 77,
&end
#
# 8 LYS HA 9 ILE HG12 4.79
&rst
ixpk= 0, nxpk= 0, iat= 71, 101, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 8 LYS HA 9 ILE HG13 3.91
&rst
ixpk= 0, nxpk= 0, iat= 71, 102, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 8 LYS HA 9 ILE HN 2.83
&rst
ixpk= 0, nxpk= 0, iat= 71, 91, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 8 LYS HA 9 ILE QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 104, 105, 106,
&end
#
# 8 LYS QB 10 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 73, 74,
&end
#
# 8 LYS QB 10 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 73, 74,
igr2= 120, 124,
&end
#
# 8 LYS QB 9 ILE HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 73, 74,
&end
#
# 8 LYS QD 10 PHE HZ 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 79, 80,
&end
#
# 8 LYS QD 10 PHE QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 79, 80,
igr2= 120, 124,
&end
#
# 8 LYS QE 10 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 82, 83,
&end
#
# 8 LYS QG 10 PHE HZ 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 76, 77,
&end
#
# 8 LYS QG 10 PHE QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 76, 77,
igr2= 118, 126,
&end
#
# 8 LYS QG 10 PHE QE 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 76, 77,
igr2= 120, 124,
&end
#
# 8 LYS QG 8 LYS QE 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 76, 77,
igr2= 82, 83,
&end
#
# 8 LYS QG 9 ILE HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 76, 77,
&end
#
# 9 ILE HA 10 PHE HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 93, 114, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 9 ILE HA 10 PHE HN 2.92
&rst
ixpk= 0, nxpk= 0, iat= 93, 110, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 9 ILE HA 10 PHE QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 118, 126,
&end
#
# 9 ILE HA 18 VAL QQG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 9 ILE HA 19 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 93, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ILE HA 9 ILE HG12 4.21
&rst
ixpk= 0, nxpk= 0, iat= 93, 101, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 9 ILE HA 9 ILE QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 104, 105, 106,
&end
#
# 9 ILE HA 9 ILE QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 97, 98, 99,
&end
#
# 9 ILE HB 10 PHE HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 95, 110, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 9 ILE HB 18 VAL QQG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 9 ILE HB 9 ILE QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 104, 105, 106,
&end
#
# 9 ILE HG12 10 PHE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 101, 110, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 9 ILE HN 10 PHE HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 91, 110, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 9 ILE HN 9 ILE HB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 91, 95, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 9 ILE HN 9 ILE HG12 4.15
&rst
ixpk= 0, nxpk= 0, iat= 91, 101, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 9 ILE HN 9 ILE HG13 4.10
&rst
ixpk= 0, nxpk= 0, iat= 91, 102, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 9 ILE HN 9 ILE QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 104, 105, 106,
&end
#
# 9 ILE HN 9 ILE QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 97, 98, 99,
&end
#
# 9 ILE QD1 10 PHE HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 104, 105, 106,
&end
#
# 9 ILE QG2 10 PHE HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 97, 98, 99,
&end
#
# 9 ILE QG2 10 PHE HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 97, 98, 99,
&end
#
# 9 ILE QG2 10 PHE QD 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 97, 98, 99,
igr2= 118, 126,
&end
#
# 9 ILE QG2 11 THR HB 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 97, 98, 99,
&end
#
# 9 ILE QG2 11 THR QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 97, 98, 99,
igr2= 136, 137, 138,
&end
#
# 9 ILE QG2 18 VAL HB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 97, 98, 99,
&end
#
# 9 ILE QG2 19 PHE HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 97, 98, 99,
&end
#
# 9 ILE QG2 20 LYS HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 97, 98, 99,
&end
#
# 9 ILE QG2 9 ILE HG12 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 101, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 97, 98, 99,
&end
#
# 9 ILE QG2 9 ILE HG13 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 102, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 97, 98, 99,
&end
#
# 10 PHE HA 10 PHE QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 118, 126,
&end
#
# 10 PHE HA 11 THR HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 112, 130, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 10 PHE HA 25 LEU QQD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 10 PHE HB2 11 THR HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 114, 130, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 10 PHE HB2 19 PHE HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 114, 256, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 10 PHE HB2 19 PHE HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 114, 257, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 10 PHE HB2 19 PHE HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 114, 252, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 10 PHE HB2 19 PHE QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 260, 268,
&end
#
# 10 PHE HB2 20 LYS HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 114, 274, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 10 PHE HB2 25 LEU HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 114, 368, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 10 PHE HB2 25 LEU HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 114, 369, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 10 PHE HB2 25 LEU QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 368, 369,
&end
#
# 10 PHE HB2 25 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 373, 374, 375,
&end
#
# 10 PHE HB2 25 LEU QD2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 377, 378, 379,
&end
#
# 10 PHE HB2 25 LEU QQD 3.46
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 10 PHE HB3 11 THR HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 10 PHE HB3 19 PHE HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 115, 256, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 10 PHE HB3 19 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 115, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE HB3 19 PHE HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 115, 252, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 10 PHE HB3 22 LYS HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 115, 316, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 10 PHE HB3 25 LEU HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 115, 368, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 10 PHE HB3 25 LEU HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 115, 369, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 10 PHE HB3 25 LEU QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 368, 369,
&end
#
# 10 PHE HB3 25 LEU QQD 3.29
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 10 PHE HN 10 PHE HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 10 PHE HN 10 PHE HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 10 PHE HN 10 PHE QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 118, 126,
&end
#
# 10 PHE HN 18 VAL QQG 4.22
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 10 PHE HN 19 PHE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 PHE HN 20 LYS HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= 110, 274, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 10 PHE HZ 22 LYS HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 122, 316, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 10 PHE HZ 22 LYS HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 122, 318, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 10 PHE HZ 22 LYS HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 122, 319, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 10 PHE HZ 22 LYS QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 318, 319,
&end
#
# 10 PHE HZ 22 LYS QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 324, 325,
&end
#
# 10 PHE HZ 22 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 327, 328,
&end
#
# 10 PHE QD 10 PHE HZ 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 118, 126,
&end
#
# 10 PHE QD 11 THR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 118, 126,
&end
#
# 10 PHE QD 19 PHE HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 118, 126,
&end
#
# 10 PHE QD 20 LYS HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 118, 126,
&end
#
# 10 PHE QD 22 LYS HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 118, 126,
&end
#
# 10 PHE QD 22 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 118, 126,
igr2= 318, 319,
&end
#
# 10 PHE QD 22 LYS QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 118, 126,
igr2= 327, 328,
&end
#
# 10 PHE QD 25 LEU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 118, 126,
igr2= 368, 369,
&end
#
# 10 PHE QD 25 LEU QQD 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 118, 126,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 10 PHE QE 22 LYS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 124,
&end
#
# 10 PHE QE 22 LYS HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 120, 124,
&end
#
# 10 PHE QE 22 LYS HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 120, 124,
&end
#
# 10 PHE QE 22 LYS QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 120, 124,
igr2= 318, 319,
&end
#
# 10 PHE QE 22 LYS QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 120, 124,
igr2= 324, 325,
&end
#
# 10 PHE QE 22 LYS QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 120, 124,
igr2= 327, 328,
&end
#
# 10 PHE QE 22 LYS QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 120, 124,
igr2= 321, 322,
&end
#
# 11 THR HA 11 THR QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 136, 137, 138,
&end
#
# 11 THR HA 12 CYM HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 132, 149, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 11 THR HA 12 CYM HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= 132, 144, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 11 THR HA 18 VAL HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= 132, 238, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 11 THR HA 18 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 242, 243, 244,
&end
#
# 11 THR HA 18 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 246, 247, 248,
&end
#
# 11 THR HA 18 VAL QQG 3.78
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 11 THR HA 19 PHE HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 132, 252, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 11 THR HA 19 PHE QD 4.64
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 260, 268,
&end
#
# 11 THR HA 25 LEU QQD 4.71
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 11 THR HB 12 CYM HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 134, 144, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 11 THR HB 18 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 242, 243, 244,
&end
#
# 11 THR HB 18 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 246, 247, 248,
&end
#
# 11 THR HB 18 VAL QQG 4.62
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 11 THR HN 11 THR HB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 130, 134, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 11 THR HN 11 THR QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 136, 137, 138,
&end
#
# 11 THR HN 25 LEU QQD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 11 THR QG2 12 CYM HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 12 CYM HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 12 CYM HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 13 GLU HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 13 GLU HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 16 ASN HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 16 ASN HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 16 ASN QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 136, 137, 138,
igr2= 204, 205,
&end
#
# 11 THR QG2 17 LYS HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 18 VAL HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 18 VAL HB 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 136, 137, 138,
&end
#
# 11 THR QG2 18 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 136, 137, 138,
igr2= 242, 243, 244,
&end
#
# 11 THR QG2 18 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 136, 137, 138,
igr2= 246, 247, 248,
&end
#
# 11 THR QG2 18 VAL QQG 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 136, 137, 138,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 11 THR QG2 19 PHE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 136, 137, 138,
&end
#
# 12 CYM HA 13 GLU HN 3.20
&rst
ixpk= 0, nxpk= 0, iat= 146, 154, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 12 CYM HA 13 GLU QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 158, 159,
&end
#
# 12 CYM HA 14 TYR HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 146, 169, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 12 CYM HA 25 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 373, 374, 375,
&end
#
# 12 CYM HA 25 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 377, 378, 379,
&end
#
# 12 CYM HA 25 LEU QQD 3.21
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 12 CYM HA 29 LEU QQD 3.93
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 12 CYM HB2 13 GLU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 149, 154, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 12 CYM HB2 14 TYR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 149, 169, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 12 CYM HB2 15 CYM HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 149, 190, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 12 CYM HB2 17 LYS HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 149, 218, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 12 CYM HB2 17 LYS HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 149, 219, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 12 CYM HB2 17 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 149, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 CYM HB2 17 LYS HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 149, 214, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 12 CYM HB2 17 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 224, 225,
&end
#
# 12 CYM HB2 19 PHE HZ 4.89
&rst
ixpk= 0, nxpk= 0, iat= 149, 264, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 12 CYM HB2 19 PHE QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 260, 268,
&end
#
# 12 CYM HB2 19 PHE QE 3.64
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 262, 266,
&end
#
# 12 CYM HB2 25 LEU QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 373, 374, 375,
&end
#
# 12 CYM HB2 25 LEU QD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 377, 378, 379,
&end
#
# 12 CYM HB2 25 LEU QQD 3.32
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 12 CYM HB2 28 HIS HD2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 149, 423, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 12 CYM HB2 29 LEU QQD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 12 CYM HB3 13 GLU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 148, 154, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 12 CYM HB3 14 TYR HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 148, 169, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 12 CYM HB3 15 CYM HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 148, 190, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 12 CYM HB3 16 ASN HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 148, 200, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 12 CYM HB3 17 LYS HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 148, 218, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 12 CYM HB3 17 LYS HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 148, 219, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 12 CYM HB3 17 LYS HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 148, 214, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 12 CYM HB3 19 PHE QE 3.98
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 262, 266,
&end
#
# 12 CYM HB3 25 LEU QQD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 12 CYM HB3 28 HIS HD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 148, 423, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 12 CYM HN 12 CYM HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 144, 149, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 12 CYM HN 12 CYM HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 12 CYM HN 13 GLU HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 144, 154, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 12 CYM HN 17 LYS HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 144, 214, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 12 CYM HN 18 VAL HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 144, 238, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 12 CYM HN 18 VAL QG1 5.38
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 242, 243, 244,
&end
#
# 12 CYM HN 18 VAL QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 246, 247, 248,
&end
#
# 12 CYM HN 18 VAL QQG 4.66
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 12 CYM HN 19 PHE QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 260, 268,
&end
#
# 12 CYM HN 19 PHE QE 4.26
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 262, 266,
&end
#
# 12 CYM HN 25 LEU QQD 4.09
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 13 GLU HA 13 GLU QB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 158, 159,
&end
#
# 13 GLU HA 13 GLU QG 3.69
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 161, 162,
&end
#
# 13 GLU HG2 14 TYR QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 179, 184,
&end
#
# 13 GLU HG3 14 TYR QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 179, 184,
&end
#
# 13 GLU HN 13 GLU HG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 154, 161, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 13 GLU HN 13 GLU HG3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 154, 162, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 13 GLU HN 13 GLU QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 158, 159,
&end
#
# 13 GLU HN 13 GLU QG 3.72
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 161, 162,
&end
#
# 13 GLU HN 14 TYR HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 13 GLU HN 25 LEU QQD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 13 GLU HN 29 LEU QQD 4.56
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 13 GLU QB 14 TYR HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 158, 159,
&end
#
# 13 GLU QB 14 TYR QD 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 158, 159,
igr2= 177, 186,
&end
#
# 13 GLU QG 14 TYR QD 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 161, 162,
igr2= 177, 186,
&end
#
# 13 GLU QG 14 TYR QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 161, 162,
igr2= 179, 184,
&end
#
# 14 TYR HA 14 TYR QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 177, 186,
&end
#
# 14 TYR HA 14 TYR QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 179, 184,
&end
#
# 14 TYR HB2 15 CYM HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= 173, 190, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 14 TYR HB2 32 HIS HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 173, 502, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 14 TYR HB2 32 HIS HE1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 173, 499, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 TYR HB3 15 CYM HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= 174, 190, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 14 TYR HB3 32 HIS HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 174, 502, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 14 TYR HB3 32 HIS HE1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 174, 499, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 TYR HN 14 TYR HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 169, 173, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 14 TYR HN 14 TYR HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 169, 174, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 14 TYR HN 14 TYR QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 173, 174,
&end
#
# 14 TYR HN 14 TYR QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 177, 186,
&end
#
# 14 TYR HN 14 TYR QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 179, 184,
&end
#
# 14 TYR HN 15 CYM HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 169, 190, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 14 TYR HN 16 ASN HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 169, 200, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 14 TYR HN 25 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 14 TYR QB 15 CYM HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 173, 174,
&end
#
# 14 TYR QB 32 HIS HD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 173, 174,
&end
#
# 14 TYR QB 32 HIS HE1 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 173, 174,
&end
#
# 14 TYR QD 15 CYM HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 177, 186,
&end
#
# 14 TYR QD 29 LEU QQD 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 177, 186,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 14 TYR QD 32 HIS HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 177, 186,
&end
#
# 14 TYR QD 32 HIS QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 177, 186,
igr2= 493, 494,
&end
#
# 14 TYR QE 29 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 179, 184,
igr2= 436, 437, 438,
&end
#
# 14 TYR QE 29 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 179, 184,
igr2= 440, 441, 442,
&end
#
# 14 TYR QE 29 LEU QQD 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 179, 184,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 14 TYR QE 32 HIS QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 179, 184,
igr2= 493, 494,
&end
#
# 14 TYR QE 33 THR QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 179, 184,
igr2= 512, 513, 514,
&end
#
# 15 CYM HA 32 HIS HE1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 192, 499, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 15 CYM HB2 16 ASN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 195, 200, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 15 CYM HB3 16 ASN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 194, 200, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 15 CYM HN 15 CYM HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 190, 195, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 CYM HN 15 CYM HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 CYM HN 15 CYM QB 3.43
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 195, 194,
&end
#
# 15 CYM HN 16 ASN HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 190, 202, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 15 CYM HN 17 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 190, 214, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 15 CYM QB 16 ASN HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 195, 194,
&end
#
# 15 CYM QB 17 LYS HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 195, 194,
&end
#
# 15 CYM QB 17 LYS HG3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 195, 194,
&end
#
# 15 CYM QB 17 LYS HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 195, 194,
&end
#
# 15 CYM QB 32 HIS HE1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 195, 194,
&end
#
# 16 ASN HN 16 ASN QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 204, 205,
&end
#
# 16 ASN HN 17 LYS HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 200, 214, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 16 ASN QB 17 LYS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 204, 205,
&end
#
# 17 LYS HA 17 LYS HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 216, 224, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 17 LYS HA 17 LYS HD3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 216, 225, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 17 LYS HA 17 LYS HG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 216, 221, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 17 LYS HA 18 VAL HB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 216, 240, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 17 LYS HA 18 VAL HN 2.81
&rst
ixpk= 0, nxpk= 0, iat= 216, 236, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 17 LYS HA 18 VAL QQG 3.70
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 17 LYS HA 19 PHE QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 262, 266,
&end
#
# 17 LYS HB2 18 VAL HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 218, 236, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 17 LYS HB2 19 PHE HZ 4.98
&rst
ixpk= 0, nxpk= 0, iat= 218, 264, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 17 LYS HB2 19 PHE QE 4.01
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 262, 266,
&end
#
# 17 LYS HB3 17 LYS QD 3.65
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 224, 225,
&end
#
# 17 LYS HB3 17 LYS QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 227, 228,
&end
#
# 17 LYS HB3 18 VAL HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= 219, 236, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 17 LYS HB3 18 VAL QQG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 17 LYS HB3 19 PHE HZ 4.55
&rst
ixpk= 0, nxpk= 0, iat= 219, 264, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 17 LYS HB3 19 PHE QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 262, 266,
&end
#
# 17 LYS HD2 19 PHE HZ 4.22
&rst
ixpk= 0, nxpk= 0, iat= 224, 264, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 17 LYS HD2 19 PHE QE 5.13
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 262, 266,
&end
#
# 17 LYS HD2 28 HIS HE1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 224, 420, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 LYS HD3 19 PHE HZ 4.22
&rst
ixpk= 0, nxpk= 0, iat= 225, 264, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 17 LYS HD3 19 PHE QE 5.13
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 262, 266,
&end
#
# 17 LYS HD3 28 HIS HE1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 225, 420, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 LYS HG2 17 LYS QE 3.61
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 227, 228,
&end
#
# 17 LYS HG2 18 VAL HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 221, 236, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 17 LYS HG2 19 PHE HZ 5.33
&rst
ixpk= 0, nxpk= 0, iat= 221, 264, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 17 LYS HG3 17 LYS QE 3.44
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 227, 228,
&end
#
# 17 LYS HG3 18 VAL HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 17 LYS HN 17 LYS HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 214, 218, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 17 LYS HN 17 LYS HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 214, 219, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 17 LYS HN 17 LYS HG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 214, 221, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 17 LYS HN 17 LYS HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 214, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 LYS HN 18 VAL HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 214, 236, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 17 LYS HN 19 PHE QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 262, 266,
&end
#
# 17 LYS QD 18 VAL HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 224, 225,
&end
#
# 17 LYS QD 19 PHE QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 224, 225,
igr2= 262, 266,
&end
#
# 17 LYS QD 28 HIS HE1 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 224, 225,
&end
#
# 17 LYS QE 19 PHE HZ 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 227, 228,
&end
#
# 17 LYS QE 28 HIS HE1 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 227, 228,
&end
#
# 18 VAL HA 18 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 242, 243, 244,
&end
#
# 18 VAL HA 18 VAL QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 246, 247, 248,
&end
#
# 18 VAL HA 19 PHE HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 238, 252, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 18 VAL HA 19 PHE QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 260, 268,
&end
#
# 18 VAL HA 19 PHE QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 262, 266,
&end
#
# 18 VAL HB 19 PHE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 240, 252, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 18 VAL HN 18 VAL HB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 18 VAL HN 18 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 242, 243, 244,
&end
#
# 18 VAL HN 18 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 246, 247, 248,
&end
#
# 18 VAL HN 18 VAL QQG 3.11
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 242, 243, 244, 246, 247, 248,
&end
#
# 18 VAL HN 19 PHE HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 236, 252, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 18 VAL QG1 19 PHE HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 242, 243, 244,
&end
#
# 18 VAL QG1 19 PHE QD 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 242, 243, 244,
igr2= 260, 268,
&end
#
# 18 VAL QG2 19 PHE HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 246, 247, 248,
&end
#
# 18 VAL QG2 19 PHE QD 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 246, 247, 248,
igr2= 260, 268,
&end
#
# 18 VAL QQG 19 PHE HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 242, 243, 244, 246, 247, 248,
&end
#
# 18 VAL QQG 19 PHE QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 242, 243, 244, 246, 247, 248,
igr2= 260, 268,
&end
#
# 19 PHE HA 19 PHE QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 260, 268,
&end
#
# 19 PHE HA 19 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 262, 266,
&end
#
# 19 PHE HA 21 PHE HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 254, 294, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 19 PHE HB2 21 PHE HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 256, 294, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 19 PHE HB2 24 SER HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 256, 357, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 19 PHE HB2 24 SER HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 256, 358, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 19 PHE HB2 24 SER QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 357, 358,
&end
#
# 19 PHE HB2 25 LEU HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 256, 366, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 19 PHE HB2 25 LEU HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 256, 368, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 19 PHE HB2 25 LEU HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 256, 369, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 19 PHE HB2 25 LEU HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 256, 364, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 19 PHE HB2 25 LEU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 368, 369,
&end
#
# 19 PHE HB2 25 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 373, 374, 375,
&end
#
# 19 PHE HB2 25 LEU QD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 377, 378, 379,
&end
#
# 19 PHE HB2 25 LEU QQD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 19 PHE HB3 21 PHE HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 257, 294, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 19 PHE HB3 24 SER HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 257, 357, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 19 PHE HB3 24 SER HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 257, 358, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 19 PHE HB3 25 LEU HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 257, 366, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 19 PHE HB3 25 LEU HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 257, 368, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 19 PHE HB3 25 LEU HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 257, 369, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 19 PHE HB3 25 LEU HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 257, 364, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 19 PHE HB3 25 LEU QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 368, 369,
&end
#
# 19 PHE HB3 25 LEU QQD 5.42
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 19 PHE HN 19 PHE HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 252, 256, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 19 PHE HN 19 PHE HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 252, 257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 PHE HN 19 PHE QD 3.45
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 260, 268,
&end
#
# 19 PHE HN 19 PHE QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 262, 266,
&end
#
# 19 PHE HN 25 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 19 PHE HZ 25 LEU QQD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 19 PHE HZ 28 HIS HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 264, 414, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 19 PHE HZ 28 HIS HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 264, 415, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 19 PHE HZ 28 HIS HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 264, 423, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 19 PHE HZ 28 HIS HE1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 264, 420, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 19 PHE QD 19 PHE HZ 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 260, 268,
&end
#
# 19 PHE QD 24 SER HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 260, 268,
&end
#
# 19 PHE QD 24 SER HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 260, 268,
&end
#
# 19 PHE QD 24 SER HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 260, 268,
&end
#
# 19 PHE QD 24 SER QB 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 260, 268,
igr2= 357, 358,
&end
#
# 19 PHE QD 25 LEU HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 260, 268,
&end
#
# 19 PHE QD 25 LEU HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 260, 268,
&end
#
# 19 PHE QD 25 LEU HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 260, 268,
&end
#
# 19 PHE QD 25 LEU HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 260, 268,
&end
#
# 19 PHE QD 25 LEU QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 260, 268,
igr2= 368, 369,
&end
#
# 19 PHE QD 25 LEU QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 260, 268,
igr2= 373, 374, 375,
&end
#
# 19 PHE QD 25 LEU QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 260, 268,
igr2= 377, 378, 379,
&end
#
# 19 PHE QD 25 LEU QQD 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 260, 268,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 19 PHE QE 24 SER QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 262, 266,
igr2= 357, 358,
&end
#
# 19 PHE QE 25 LEU HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 262, 266,
&end
#
# 19 PHE QE 25 LEU QQD 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 262, 266,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 19 PHE QE 28 HIS HB2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 262, 266,
&end
#
# 19 PHE QE 28 HIS HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 262, 266,
&end
#
# 19 PHE QE 28 HIS HD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 262, 266,
&end
#
# 19 PHE QE 28 HIS HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 262, 266,
&end
#
# 20 LYS HA 20 LYS HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 274, 279, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 20 LYS HA 20 LYS HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 274, 280, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 20 LYS HA 20 LYS QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 282, 283,
&end
#
# 20 LYS HA 20 LYS QG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 279, 280,
&end
#
# 20 LYS HB2 21 PHE HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 276, 294, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 20 LYS HB2 21 PHE QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 302, 310,
&end
#
# 20 LYS HB2 21 PHE QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 304, 308,
&end
#
# 20 LYS HB3 21 PHE HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 277, 294, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 20 LYS HB3 21 PHE QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 302, 310,
&end
#
# 20 LYS HB3 21 PHE QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 304, 308,
&end
#
# 20 LYS HG2 20 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 285, 286,
&end
#
# 20 LYS HG3 20 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 285, 286,
&end
#
# 20 LYS HN 21 PHE HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 272, 294, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 20 LYS QB 20 LYS QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 276, 277,
igr2= 282, 283,
&end
#
# 20 LYS QB 21 PHE QD 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 276, 277,
igr2= 302, 310,
&end
#
# 20 LYS QD 21 PHE HZ 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 282, 283,
&end
#
# 20 LYS QD 21 PHE QE 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 282, 283,
igr2= 304, 308,
&end
#
# 20 LYS QE 21 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 285, 286,
&end
#
# 20 LYS QE 21 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 285, 286,
igr2= 302, 310,
&end
#
# 20 LYS QE 21 PHE QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 285, 286,
igr2= 304, 308,
&end
#
# 20 LYS QG 20 LYS QE 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 279, 280,
igr2= 285, 286,
&end
#
# 20 LYS QG 21 PHE HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 279, 280,
&end
#
# 21 PHE HA 21 PHE QD 3.75
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 302, 310,
&end
#
# 21 PHE HB2 23 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB2 23 HIS HE1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 298, 346, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 21 PHE HB2 24 SER HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 298, 353, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 PHE HB2 25 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB3 23 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HB3 23 HIS HE1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 299, 346, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 21 PHE HB3 24 SER HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 299, 353, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 PHE HB3 25 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HN 21 PHE HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 294, 298, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 21 PHE HN 21 PHE HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 294, 299, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 21 PHE HN 21 PHE QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 298, 299,
&end
#
# 21 PHE HN 21 PHE QD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 302, 310,
&end
#
# 21 PHE HN 24 SER HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 294, 353, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 21 PHE HN 24 SER QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 357, 358,
&end
#
# 21 PHE QB 23 HIS HD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 298, 299,
&end
#
# 21 PHE QB 23 HIS HE1 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 298, 299,
&end
#
# 21 PHE QB 24 SER HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 298, 299,
&end
#
# 21 PHE QB 24 SER QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 298, 299,
igr2= 357, 358,
&end
#
# 21 PHE QB 25 LEU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 298, 299,
&end
#
# 21 PHE QD 24 SER HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 302, 310,
&end
#
# 21 PHE QD 24 SER QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 302, 310,
igr2= 357, 358,
&end
#
# 22 LYS HA 22 LYS QG 3.26
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 321, 322,
&end
#
# 22 LYS HA 25 LEU HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 316, 364, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 22 LYS HA 25 LEU QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 368, 369,
&end
#
# 22 LYS HA 26 GLN HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 316, 383, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 22 LYS HG2 26 GLN HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 321, 390, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 LYS HG2 26 GLN HG3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 321, 391, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 LYS HG3 26 GLN HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 322, 390, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 LYS HG3 26 GLN HG3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 322, 391, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 22 LYS QG 22 LYS QE 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 321, 322,
igr2= 327, 328,
&end
#
# 22 LYS QG 26 GLN HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 321, 322,
&end
#
# 22 LYS QG 26 GLN HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 321, 322,
&end
#
# 22 LYS QG 26 GLN HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 321, 322,
&end
#
# 22 LYS QG 26 GLN QG 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 321, 322,
igr2= 390, 391,
&end
#
# 23 HIS HA 26 GLN HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 338, 387, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 23 HIS HA 26 GLN HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 338, 388, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 23 HIS HA 26 GLN HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 338, 390, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 HIS HA 26 GLN HG3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 338, 391, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 HIS HA 26 GLN HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 338, 383, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 23 HIS HA 26 GLN QG 4.14
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 390, 391,
&end
#
# 23 HIS HA 27 ALA HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 338, 400, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 23 HIS HB2 26 GLN HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 340, 387, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 23 HIS HB3 26 GLN HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 341, 387, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 23 HIS HD2 24 SER HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 349, 353, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 23 HIS QB 24 SER HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 340, 341,
&end
#
# 23 HIS QB 26 GLN HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 340, 341,
&end
#
# 24 SER HA 27 ALA HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 355, 400, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 24 SER HA 27 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 404, 405, 406,
&end
#
# 24 SER HB2 25 LEU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 357, 364, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 24 SER HB3 25 LEU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 358, 364, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 24 SER HN 24 SER HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 SER HN 24 SER HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 SER HN 24 SER QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 357, 358,
&end
#
# 24 SER HN 25 LEU HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 353, 364, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 24 SER HN 26 GLN HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 353, 383, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 24 SER QB 25 LEU HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 357, 358,
&end
#
# 25 LEU HA 25 LEU HG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 LEU HA 25 LEU QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 373, 374, 375,
&end
#
# 25 LEU HA 25 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 377, 378, 379,
&end
#
# 25 LEU HA 25 LEU QQD 3.06
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU HA 27 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 404, 405, 406,
&end
#
# 25 LEU HA 28 HIS HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 366, 412, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 25 LEU HA 28 HIS HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 366, 414, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 25 LEU HA 28 HIS HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= 366, 415, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 25 LEU HA 28 HIS HD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 366, 423, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 25 LEU HA 28 HIS HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 366, 410, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 25 LEU HA 29 LEU HG 4.85
&rst
ixpk= 0, nxpk= 0, iat= 366, 434, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 25 LEU HA 29 LEU HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 366, 427, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 25 LEU HA 29 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 436, 437, 438,
&end
#
# 25 LEU HA 29 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 440, 441, 442,
&end
#
# 25 LEU HA 29 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 25 LEU HB2 25 LEU QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 373, 374, 375,
&end
#
# 25 LEU HB2 25 LEU QD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 377, 378, 379,
&end
#
# 25 LEU HB2 26 GLN HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 25 LEU HB3 25 LEU QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 373, 374, 375,
&end
#
# 25 LEU HB3 25 LEU QD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 377, 378, 379,
&end
#
# 25 LEU HB3 26 GLN HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 25 LEU HG 26 GLN HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 371, 385, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 25 LEU HG 26 GLN HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 25 LEU HG 29 LEU HG 4.25
&rst
ixpk= 0, nxpk= 0, iat= 371, 434, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 25 LEU HG 29 LEU QQD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 25 LEU HN 25 LEU HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 25 LEU HN 25 LEU HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat= 364, 369, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 25 LEU HN 25 LEU HG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 364, 371, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 25 LEU HN 25 LEU QB 3.01
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 368, 369,
&end
#
# 25 LEU HN 25 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 373, 374, 375,
&end
#
# 25 LEU HN 25 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 377, 378, 379,
&end
#
# 25 LEU HN 25 LEU QQD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU HN 26 GLN HB2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 364, 387, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 25 LEU HN 26 GLN HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 364, 383, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 25 LEU HN 26 GLN QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 390, 391,
&end
#
# 25 LEU HN 27 ALA HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 364, 400, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 25 LEU HN 27 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 404, 405, 406,
&end
#
# 25 LEU QB 25 LEU QQD 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 368, 369,
igr2= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QB 26 GLN HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 368, 369,
&end
#
# 25 LEU QD1 26 GLN HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 373, 374, 375,
&end
#
# 25 LEU QD2 26 GLN HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 377, 378, 379,
&end
#
# 25 LEU QQD 26 GLN HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QQD 28 HIS HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QQD 28 HIS HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QQD 28 HIS HD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QQD 28 HIS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QQD 29 LEU HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QQD 29 LEU HG 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QQD 29 LEU HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 373, 374, 375, 377, 378, 379,
&end
#
# 25 LEU QQD 29 LEU QQD 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 373, 374, 375, 377, 378, 379,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 26 GLN HA 26 GLN HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 26 GLN HA 26 GLN HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 385, 391, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 26 GLN HA 26 GLN QG 3.49
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 390, 391,
&end
#
# 26 GLN HA 27 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 404, 405, 406,
&end
#
# 26 GLN HA 28 HIS HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 385, 410, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 26 GLN HA 29 LEU HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 385, 431, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 26 GLN HA 29 LEU HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 385, 432, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 26 GLN HA 29 LEU HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 385, 427, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 26 GLN HA 29 LEU QQD 3.17
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 26 GLN HB2 27 ALA HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 26 GLN HB2 27 ALA QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 404, 405, 406,
&end
#
# 26 GLN HB2 29 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 26 GLN HB3 27 ALA HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 26 GLN HB3 27 ALA HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 26 GLN HB3 27 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 404, 405, 406,
&end
#
# 26 GLN HB3 29 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 26 GLN HN 26 GLN HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 26 GLN HN 26 GLN 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 GLN HN 26 GLN HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 26 GLN HN 26 GLN HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 26 GLN HN 26 GLN QG 3.40
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 390, 391,
&end
#
# 26 GLN HN 27 ALA HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 26 GLN HN 27 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 404, 405, 406,
&end
#
# 26 GLN HN 29 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 27 ALA HA 30 ARG HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 402, 453, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 27 ALA HA 30 ARG HG3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 402, 454, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 27 ALA HA 30 ARG HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 402, 446, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 27 ALA HA 30 ARG QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 456, 457,
&end
#
# 27 ALA HA 30 ARG QG 3.87
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 453, 454,
&end
#
# 27 ALA HN 27 ALA QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 404, 405, 406,
&end
#
# 27 ALA HN 28 HIS HB3 4.77
&rst
ixpk= 0, nxpk= 0, iat= 400, 415, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 27 ALA HN 29 LEU HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 400, 427, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 27 ALA QB 28 HIS HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 404, 405, 406,
&end
#
# 27 ALA QB 28 HIS HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 404, 405, 406,
&end
#
# 27 ALA QB 28 HIS HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 404, 405, 406,
&end
#
# 27 ALA QB 28 HIS HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 404, 405, 406,
&end
#
# 27 ALA QB 30 ARG HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 404, 405, 406,
&end
#
# 27 ALA QB 30 ARG QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 404, 405, 406,
igr2= 456, 457,
&end
#
# 27 ALA QB 30 ARG QG 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 404, 405, 406,
igr2= 453, 454,
&end
#
# 28 HIS HA 30 ARG HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 412, 446, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 28 HIS HA 31 ILE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 412, 470, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 HIS HA 31 ILE QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 483, 484, 485,
&end
#
# 28 HIS HA 31 ILE QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 476, 477, 478,
&end
#
# 28 HIS HB2 29 LEU HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 414, 427, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 HIS HB3 29 LEU HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 HIS HD2 29 LEU HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 28 HIS HD2 29 LEU HG 4.51
&rst
ixpk= 0, nxpk= 0, iat= 423, 434, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 HIS HD2 29 LEU HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 28 HIS HD2 29 LEU QQD 3.67
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 28 HIS HD2 32 HIS HD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 423, 502, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 28 HIS HE1 31 ILE QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 483, 484, 485,
&end
#
# 28 HIS HE1 31 ILE QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 476, 477, 478,
&end
#
# 28 HIS HN 28 HIS HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 28 HIS HN 28 HIS HB3 3.18
&rst
ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 28 HIS HN 29 LEU HG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 410, 434, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 28 HIS HN 29 LEU HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 28 HIS HN 30 ARG HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 410, 446, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 29 LEU HA 29 LEU HG 3.78
&rst
ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 29 LEU HA 29 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 436, 437, 438,
&end
#
# 29 LEU HA 29 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 440, 441, 442,
&end
#
# 29 LEU HA 29 LEU QQD 2.97
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 29 LEU HA 31 ILE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 429, 470, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 29 LEU HA 32 HIS HD2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 429, 502, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 29 LEU HA 32 HIS HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 429, 489, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 29 LEU HA 32 HIS QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 493, 494,
&end
#
# 29 LEU HB2 29 LEU QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 436, 437, 438,
&end
#
# 29 LEU HB2 29 LEU QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 440, 441, 442,
&end
#
# 29 LEU HB2 29 LEU QQD 2.98
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 29 LEU HB2 30 ARG HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 29 LEU HB2 33 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 512, 513, 514,
&end
#
# 29 LEU HB3 29 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 436, 437, 438,
&end
#
# 29 LEU HB3 29 LEU QD2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 440, 441, 442,
&end
#
# 29 LEU HB3 29 LEU QQD 2.95
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 436, 437, 438, 440, 441, 442,
&end
#
# 29 LEU HB3 30 ARG HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 29 LEU HB3 33 THR QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 512, 513, 514,
&end
#
# 29 LEU HG 32 HIS HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 434, 502, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 29 LEU HN 29 LEU HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 29 LEU HN 29 LEU HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 29 LEU HN 29 LEU HG 3.42
&rst
ixpk= 0, nxpk= 0, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 29 LEU HN 29 LEU QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 436, 437, 438,
&end
#
# 29 LEU HN 29 LEU QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 440, 441, 442,
&end
#
# 29 LEU HN 30 ARG HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 427, 446, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 29 LEU HN 32 HIS HD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 427, 502, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 29 LEU QQD 30 ARG HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 436, 437, 438, 440, 441, 442,
&end
#
# 29 LEU QQD 32 HIS HD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 436, 437, 438, 440, 441, 442,
&end
#
# 29 LEU QQD 32 HIS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 436, 437, 438, 440, 441, 442,
&end
#
# 29 LEU QQD 32 HIS QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 436, 437, 438, 440, 441, 442,
igr2= 493, 494,
&end
#
# 29 LEU QQD 33 THR QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 436, 437, 438, 440, 441, 442,
igr2= 512, 513, 514,
&end
#
# 30 ARG HA 30 ARG HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 30 ARG HA 30 ARG HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 448, 454, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 30 ARG HA 30 ARG QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 456, 457,
&end
#
# 30 ARG HA 30 ARG QG 3.20
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 453, 454,
&end
#
# 30 ARG HB2 30 ARG QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 456, 457,
&end
#
# 30 ARG HB3 30 ARG QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 456, 457,
&end
#
# 30 ARG HN 30 ARG HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 446, 450, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 30 ARG HN 30 ARG HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 30 ARG HN 30 ARG HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 446, 453, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 30 ARG HN 30 ARG HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 446, 454, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 30 ARG HN 30 ARG QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 450, 451,
&end
#
# 30 ARG HN 30 ARG QD 4.35
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 456, 457,
&end
#
# 30 ARG HN 30 ARG QG 3.13
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 453, 454,
&end
#
# 30 ARG HN 31 ILE HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 446, 470, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 30 ARG HN 31 ILE QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 476, 477, 478,
&end
#
# 30 ARG QB 30 ARG QD 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 450, 451,
igr2= 456, 457,
&end
#
# 30 ARG QB 31 ILE HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 450, 451,
&end
#
# 30 ARG QB 31 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 450, 451,
igr2= 476, 477, 478,
&end
#
# 31 ILE HA 31 ILE QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 483, 484, 485,
&end
#
# 31 ILE HA 31 ILE QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 480, 481,
&end
#
# 31 ILE HA 31 ILE QG2 3.09
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 476, 477, 478,
&end
#
# 31 ILE HB 31 ILE QD1 3.23
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 483, 484, 485,
&end
#
# 31 ILE HB 32 HIS HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 474, 489, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 31 ILE HG12 32 HIS HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 480, 489, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 31 ILE HG13 32 HIS HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 481, 489, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 31 ILE HN 31 ILE HB 3.62
&rst
ixpk= 0, nxpk= 0, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 31 ILE HN 31 ILE HG12 4.21
&rst
ixpk= 0, nxpk= 0, iat= 470, 480, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 31 ILE HN 31 ILE HG13 4.21
&rst
ixpk= 0, nxpk= 0, iat= 470, 481, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 31 ILE HN 31 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 483, 484, 485,
&end
#
# 31 ILE HN 31 ILE QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 480, 481,
&end
#
# 31 ILE HN 31 ILE QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 476, 477, 478,
&end
#
# 31 ILE HN 32 HIS HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 470, 489, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 31 ILE QD1 32 HIS HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 483, 484, 485,
&end
#
# 31 ILE QG1 32 HIS HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 480, 481,
&end
#
# 31 ILE QG2 31 ILE QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 476, 477, 478,
igr2= 480, 481,
&end
#
# 31 ILE QG2 32 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 476, 477, 478,
&end
#
# 31 ILE QG2 32 HIS HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 476, 477, 478,
&end
#
# 32 HIS HA 33 THR HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 32 HIS HN 32 HIS HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 489, 493, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 32 HIS HN 32 HIS HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 32 HIS HN 32 HIS HD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 489, 502, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 32 HIS HN 32 HIS QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 493, 494,
&end
#
# 32 HIS HN 33 THR HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 489, 506, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 32 HIS QB 33 THR QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 493, 494,
igr2= 512, 513, 514,
&end
#
# 33 THR HA 33 THR QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 512, 513, 514,
&end
#
# 33 THR HA 34 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 THR HN 33 THR QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 512, 513, 514,
&end
#
# 34 ASN HA 35 GLU QG 4.46
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 541, 542,
&end
#
# 35 GLU HA 35 GLU QG 3.58
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 541, 542,
&end
#
# 35 GLU HN 35 GLU QG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 541, 542,
&end
#
# 36 LYS HA 36 LYS HG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 551, 556, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 36 LYS HA 36 LYS HG3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 551, 557, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 36 LYS HA 36 LYS QD 4.68
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 559, 560,
&end
#
# 36 LYS HA 36 LYS QG 3.38
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 556, 557,
&end
#
# 36 LYS HA 37 PRO HD2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 551, 572, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 36 LYS HA 37 PRO HD3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 551, 573, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 LYS HA 37 PRO QG 4.47
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 575, 576,
&end
#
# 36 LYS HA 38 TYR HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 551, 585, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 36 LYS HA 48 ALA HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= 551, 734, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 36 LYS HA 48 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 736, 737, 738,
&end
#
# 36 LYS HN 39 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 619, 620,
&end
#
# 36 LYS HN 46 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 715, 716, 717,
&end
#
# 36 LYS QB 36 LYS QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 553, 554,
igr2= 559, 560,
&end
#
# 36 LYS QB 46 ALA QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 553, 554,
igr2= 715, 716, 717,
&end
#
# 36 LYS QB 47 SER HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 553, 554,
&end
#
# 36 LYS QG 37 PRO HD2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 556, 557,
&end
#
# 36 LYS QG 37 PRO HD3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 556, 557,
&end
#
# 36 LYS QG 47 SER HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 556, 557,
&end
#
# 36 LYS QG 48 ALA QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 556, 557,
igr2= 736, 737, 738,
&end
#
# 37 PRO HA 38 TYR HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 37 PRO HA 39 LYS QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 619, 620,
&end
#
# 37 PRO HB2 38 TYR HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 578, 587, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 37 PRO HB2 38 TYR HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 578, 585, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 37 PRO HB3 38 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 579, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PRO HB3 38 TYR HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 579, 585, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 37 PRO HB3 38 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 593, 602,
&end
#
# 37 PRO HB3 48 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 579, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PRO HD2 38 TYR HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 572, 585, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 37 PRO HD2 38 TYR QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 589, 590,
&end
#
# 37 PRO HD2 38 TYR QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 593, 602,
&end
#
# 37 PRO HD2 38 TYR QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 595, 600,
&end
#
# 37 PRO HD2 48 ALA HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= 572, 734, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 37 PRO HD2 48 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 736, 737, 738,
&end
#
# 37 PRO HD3 38 TYR HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 37 PRO HD3 48 ALA HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= 573, 734, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 37 PRO HD3 48 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 736, 737, 738,
&end
#
# 37 PRO HG2 38 TYR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 575, 585, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 PRO HG2 38 TYR QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 595, 600,
&end
#
# 37 PRO HG2 48 ALA HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 575, 734, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 37 PRO HG3 38 TYR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 576, 585, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 PRO HG3 38 TYR QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 595, 600,
&end
#
# 37 PRO HG3 48 ALA HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 576, 734, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 37 PRO QG 38 TYR HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 575, 576,
&end
#
# 37 PRO QG 38 TYR QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 575, 576,
igr2= 589, 590,
&end
#
# 37 PRO QG 38 TYR QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 575, 576,
igr2= 593, 602,
&end
#
# 37 PRO QG 38 TYR QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 575, 576,
igr2= 595, 600,
&end
#
# 37 PRO QG 48 ALA HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 575, 576,
&end
#
# 38 TYR HA 38 TYR QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 593, 602,
&end
#
# 38 TYR HA 38 TYR QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 595, 600,
&end
#
# 38 TYR HA 39 LYS HN 2.96
&rst
ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 38 TYR HA 53 LEU QQD 3.74
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 38 TYR HN 38 TYR QB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 589, 590,
&end
#
# 38 TYR HN 38 TYR QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 593, 602,
&end
#
# 38 TYR HN 38 TYR QE 4.58
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 595, 600,
&end
#
# 38 TYR HN 39 LYS HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 TYR HN 47 SER HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 585, 721, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 38 TYR HN 53 LEU QQD 5.11
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 38 TYR QB 39 LYS HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 589, 590,
&end
#
# 38 TYR QB 46 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 589, 590,
igr2= 715, 716, 717,
&end
#
# 38 TYR QB 47 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 589, 590,
&end
#
# 38 TYR QB 47 SER QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 589, 590,
igr2= 725, 726,
&end
#
# 38 TYR QB 53 LEU HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 589, 590,
&end
#
# 38 TYR QB 53 LEU HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 589, 590,
&end
#
# 38 TYR QB 53 LEU HG 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 589, 590,
&end
#
# 38 TYR QB 53 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 589, 590,
igr2= 816, 817, 818,
&end
#
# 38 TYR QB 53 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 589, 590,
igr2= 820, 821, 822,
&end
#
# 38 TYR QB 53 LEU QQD 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 589, 590,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 38 TYR QD 39 LYS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 593, 602,
&end
#
# 38 TYR QD 47 SER QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 593, 602,
igr2= 725, 726,
&end
#
# 38 TYR QD 48 ALA HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 593, 602,
&end
#
# 38 TYR QD 48 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 593, 602,
igr2= 736, 737, 738,
&end
#
# 38 TYR QD 49 ILE HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 593, 602,
&end
#
# 38 TYR QD 50 LYS HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 593, 602,
&end
#
# 38 TYR QD 50 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 593, 602,
&end
#
# 38 TYR QD 50 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 593, 602,
&end
#
# 38 TYR QD 50 LYS QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 593, 602,
igr2= 765, 766,
&end
#
# 38 TYR QD 50 LYS QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 593, 602,
igr2= 774, 775,
&end
#
# 38 TYR QD 50 LYS QG 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 593, 602,
igr2= 768, 769,
&end
#
# 38 TYR QD 53 LEU QQD 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 593, 602,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 38 TYR QE 48 ALA HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 595, 600,
&end
#
# 38 TYR QE 48 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 595, 600,
igr2= 736, 737, 738,
&end
#
# 38 TYR QE 49 ILE HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 595, 600,
&end
#
# 38 TYR QE 50 LYS HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 595, 600,
&end
#
# 38 TYR QE 50 LYS HD2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 595, 600,
&end
#
# 38 TYR QE 50 LYS HD3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 595, 600,
&end
#
# 38 TYR QE 50 LYS HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 595, 600,
&end
#
# 38 TYR QE 50 LYS HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 595, 600,
&end
#
# 38 TYR QE 50 LYS QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 595, 600,
igr2= 765, 766,
&end
#
# 38 TYR QE 50 LYS QD 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 595, 600,
igr2= 771, 772,
&end
#
# 38 TYR QE 50 LYS QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 595, 600,
igr2= 774, 775,
&end
#
# 38 TYR QE 50 LYS QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 595, 600,
igr2= 768, 769,
&end
#
# 38 TYR QE 53 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 595, 600,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 39 LYS HA 39 LYS HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 608, 616, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 39 LYS HA 39 LYS HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 608, 617, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 39 LYS HA 39 LYS HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 608, 613, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 39 LYS HA 39 LYS HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 608, 614, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 39 LYS HA 39 LYS QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 619, 620,
&end
#
# 39 LYS HA 40 CYM HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 608, 628, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 39 LYS HA 45 TYR QD 5.14
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 698, 707,
&end
#
# 39 LYS HA 46 ALA QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 715, 716, 717,
&end
#
# 39 LYS HA 47 SER HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 608, 721, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 39 LYS HB2 40 CYM HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 610, 628, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 39 LYS HB2 46 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 715, 716, 717,
&end
#
# 39 LYS HB3 40 CYM HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 611, 628, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 39 LYS HB3 46 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 715, 716, 717,
&end
#
# 39 LYS HG2 40 CYM HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 613, 628, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 39 LYS HG2 46 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 715, 716, 717,
&end
#
# 39 LYS HG3 40 CYM HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 614, 628, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 39 LYS HG3 46 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 715, 716, 717,
&end
#
# 39 LYS HN 39 LYS HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 606, 610, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 39 LYS HN 39 LYS HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 606, 611, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 39 LYS HN 39 LYS HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 606, 613, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 LYS HN 39 LYS HG3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 606, 614, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 LYS HN 39 LYS QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 610, 611,
&end
#
# 39 LYS HN 39 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 619, 620,
&end
#
# 39 LYS HN 39 LYS QG 4.01
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 613, 614,
&end
#
# 39 LYS HN 40 CYM HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 606, 628, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 39 LYS HN 46 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 715, 716, 717,
&end
#
# 39 LYS HN 53 LEU QQD 4.06
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 39 LYS QB 39 LYS QE 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 610, 611,
igr2= 619, 620,
&end
#
# 39 LYS QB 40 CYM HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 610, 611,
&end
#
# 39 LYS QB 46 ALA QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 610, 611,
igr2= 715, 716, 717,
&end
#
# 39 LYS QD 40 CYM HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 616, 617,
&end
#
# 39 LYS QD 46 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 616, 617,
igr2= 715, 716, 717,
&end
#
# 39 LYS QE 46 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 619, 620,
igr2= 715, 716, 717,
&end
#
# 39 LYS QG 39 LYS QE 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 613, 614,
igr2= 619, 620,
&end
#
# 39 LYS QG 40 CYM HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 613, 614,
&end
#
# 40 CYM HA 41 PRO HD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 630, 639, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 40 CYM HA 41 PRO HD3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 40 CYM HA 41 PRO QD 2.97
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 639, 640,
&end
#
# 40 CYM HA 43 CYM HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 630, 669, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 40 CYM HA 45 TYR QD 5.41
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 698, 707,
&end
#
# 40 CYM HA 53 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 816, 817, 818,
&end
#
# 40 CYM HA 53 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 820, 821, 822,
&end
#
# 40 CYM HA 53 LEU QQD 3.15
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 40 CYM HA 57 LEU QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 882, 883, 884,
&end
#
# 40 CYM HA 57 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 886, 887, 888,
&end
#
# 40 CYM HB2 41 PRO QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 639, 640,
&end
#
# 40 CYM HB2 43 CYM HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 633, 669, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 40 CYM HB2 45 TYR HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 633, 694, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 40 CYM HB2 45 TYR HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 633, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 CYM HB2 45 TYR HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 633, 690, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 40 CYM HB2 45 TYR QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 698, 707,
&end
#
# 40 CYM HB2 53 LEU QQD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 40 CYM HB2 56 HIS HD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 633, 869, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 40 CYM HB2 57 LEU QD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 886, 887, 888,
&end
#
# 40 CYM HB3 41 PRO QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 639, 640,
&end
#
# 40 CYM HB3 42 GLN HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 632, 652, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 40 CYM HB3 43 CYM HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= 632, 669, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 40 CYM HB3 44 SER HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 632, 681, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 40 CYM HB3 45 TYR HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 632, 694, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 40 CYM HB3 45 TYR HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 632, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 CYM HB3 45 TYR HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 632, 690, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 40 CYM HB3 45 TYR QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 698, 707,
&end
#
# 40 CYM HB3 53 LEU QQD 3.97
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 40 CYM HB3 56 HIS HD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 632, 869, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 40 CYM HN 40 CYM HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 628, 633, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 40 CYM HN 40 CYM HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 40 CYM HN 43 CYM HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 628, 669, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 40 CYM HN 45 TYR HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 628, 695, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 40 CYM HN 45 TYR QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 698, 707,
&end
#
# 40 CYM HN 46 ALA HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 628, 713, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 40 CYM HN 46 ALA QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 715, 716, 717,
&end
#
# 40 CYM HN 53 LEU QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 816, 817, 818,
&end
#
# 40 CYM HN 53 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 820, 821, 822,
&end
#
# 40 CYM HN 53 LEU QQD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 41 PRO HB2 42 GLN QG 4.34
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 659, 660,
&end
#
# 41 PRO HB3 42 GLN QG 5.10
&rst
ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 659, 660,
&end
#
# 41 PRO HD2 57 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 882, 883, 884,
&end
#
# 41 PRO HD2 57 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 886, 887, 888,
&end
#
# 41 PRO HD3 57 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 882, 883, 884,
&end
#
# 41 PRO HD3 57 LEU QD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 886, 887, 888,
&end
#
# 41 PRO QD 42 GLN HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 639, 640,
&end
#
# 41 PRO QD 53 LEU QQD 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 639, 640,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 41 PRO QD 57 LEU QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 639, 640,
igr2= 882, 883, 884,
&end
#
# 41 PRO QD 57 LEU QD2 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 639, 640,
igr2= 886, 887, 888,
&end
#
# 41 PRO QG 42 GLN HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 642, 643,
&end
#
# 41 PRO QG 42 GLN QG 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 642, 643,
igr2= 659, 660,
&end
#
# 41 PRO QG 57 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 642, 643,
igr2= 882, 883, 884,
&end
#
# 41 PRO QG 57 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 642, 643,
igr2= 886, 887, 888,
&end
#
# 42 GLN HA 42 GLN HG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 654, 659, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 42 GLN HA 42 GLN HG3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 654, 660, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 42 GLN HB2 43 CYM HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 656, 669, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 42 GLN HB2 60 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 951, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLN HB2 60 HIS HE1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 656, 948, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 42 GLN HB3 43 CYM HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 657, 669, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 42 GLN HB3 60 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 657, 951, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLN HB3 60 HIS HE1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 657, 948, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 42 GLN HN 42 GLN HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 652, 656, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 42 GLN HN 42 GLN HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 42 GLN HN 42 GLN HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 42 GLN HN 42 GLN HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 652, 660, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 42 GLN HN 42 GLN QB 3.24
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 656, 657,
&end
#
# 42 GLN HN 42 GLN QG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 659, 660,
&end
#
# 42 GLN HN 43 CYM HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= 652, 669, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 42 GLN QB 43 CYM HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 656, 657,
&end
#
# 42 GLN QB 60 HIS HD2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 656, 657,
&end
#
# 42 GLN QG 43 CYM HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 659, 660,
&end
#
# 43 CYM HB2 44 SER HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 674, 679, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 43 CYM HB2 60 HIS HE1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 674, 948, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 43 CYM HB3 44 SER HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 43 CYM HB3 60 HIS HE1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 673, 948, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 43 CYM HN 43 CYM QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 674, 673,
&end
#
# 43 CYM HN 45 TYR HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 669, 695, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 43 CYM HN 45 TYR HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 669, 690, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 43 CYM QB 44 SER HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 674, 673,
&end
#
# 43 CYM QB 60 HIS HE1 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 674, 673,
&end
#
# 45 TYR HA 45 TYR QD 3.68
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 698, 707,
&end
#
# 45 TYR HA 46 ALA HN 2.90
&rst
ixpk= 0, nxpk= 0, iat= 692, 711, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 45 TYR HA 46 ALA QB 4.32
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 715, 716, 717,
&end
#
# 45 TYR HB2 46 ALA HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 694, 711, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 45 TYR HB2 56 HIS HE1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 694, 866, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 45 TYR HB3 46 ALA HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 695, 711, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 45 TYR HB3 56 HIS HE1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 695, 866, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 45 TYR HN 45 TYR HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 45 TYR HN 45 TYR HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 690, 695, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 45 TYR HN 45 TYR QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 698, 707,
&end
#
# 45 TYR HN 46 ALA HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 690, 711, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 45 TYR HN 56 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 TYR QD 46 ALA HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 698, 707,
&end
#
# 45 TYR QD 46 ALA HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 698, 707,
&end
#
# 45 TYR QD 46 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 698, 707,
igr2= 715, 716, 717,
&end
#
# 45 TYR QD 47 SER HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 698, 707,
&end
#
# 45 TYR QD 53 LEU HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 698, 707,
&end
#
# 45 TYR QD 53 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 698, 707,
igr2= 816, 817, 818,
&end
#
# 45 TYR QD 53 LEU QD2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 698, 707,
igr2= 820, 821, 822,
&end
#
# 45 TYR QD 53 LEU QQD 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 698, 707,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 45 TYR QD 56 HIS HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 698, 707,
&end
#
# 45 TYR QD 56 HIS HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 698, 707,
&end
#
# 45 TYR QD 56 HIS HD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 698, 707,
&end
#
# 45 TYR QD 56 HIS HE1 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 698, 707,
&end
#
# 45 TYR QE 47 SER HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 700, 705,
&end
#
# 45 TYR QE 47 SER HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 700, 705,
&end
#
# 45 TYR QE 47 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 700, 705,
&end
#
# 45 TYR QE 47 SER QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 700, 705,
igr2= 725, 726,
&end
#
# 45 TYR QE 53 LEU HA 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 700, 705,
&end
#
# 45 TYR QE 53 LEU HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 700, 705,
&end
#
# 45 TYR QE 53 LEU QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 700, 705,
igr2= 811, 812,
&end
#
# 45 TYR QE 53 LEU QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 700, 705,
igr2= 816, 817, 818,
&end
#
# 45 TYR QE 53 LEU QD2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 700, 705,
igr2= 820, 821, 822,
&end
#
# 45 TYR QE 53 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= 700, 705,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 45 TYR QE 56 HIS HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 700, 705,
&end
#
# 45 TYR QE 56 HIS HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 700, 705,
&end
#
# 45 TYR QE 56 HIS HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 700, 705,
&end
#
# 46 ALA HA 47 SER HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 713, 721, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 46 ALA HA 53 LEU QQD 4.53
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 46 ALA HN 46 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 715, 716, 717,
&end
#
# 46 ALA HN 47 SER HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 711, 721, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 46 ALA QB 47 SER HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 715, 716, 717,
&end
#
# 47 SER HB2 49 ILE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 725, 742, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 47 SER HB3 49 ILE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 726, 742, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 47 SER HN 47 SER HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 721, 725, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 SER HN 47 SER HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 721, 726, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 SER HN 47 SER QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 725, 726,
&end
#
# 47 SER HN 53 LEU QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 811, 812,
&end
#
# 47 SER HN 53 LEU QQD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 47 SER QB 49 ILE HB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 725, 726,
&end
#
# 47 SER QB 49 ILE HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 725, 726,
&end
#
# 47 SER QB 49 ILE QG1 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 725, 726,
igr2= 752, 753,
&end
#
# 47 SER QB 52 ASN QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 725, 726,
igr2= 797, 798,
&end
#
# 47 SER QB 53 LEU HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 725, 726,
&end
#
# 47 SER QB 53 LEU HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 725, 726,
&end
#
# 47 SER QB 53 LEU QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 725, 726,
igr2= 811, 812,
&end
#
# 47 SER QB 53 LEU QQD 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 725, 726,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 48 ALA QB 49 ILE HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 736, 737, 738,
&end
#
# 48 ALA QB 49 ILE HG12 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 736, 737, 738,
&end
#
# 48 ALA QB 49 ILE HG13 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 736, 737, 738,
&end
#
# 48 ALA QB 49 ILE HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 736, 737, 738,
&end
#
# 48 ALA QB 49 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 736, 737, 738,
igr2= 755, 756, 757,
&end
#
# 48 ALA QB 49 ILE QG1 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 736, 737, 738,
igr2= 752, 753,
&end
#
# 48 ALA QB 49 ILE QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 736, 737, 738,
igr2= 748, 749, 750,
&end
#
# 49 ILE HA 49 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 755, 756, 757,
&end
#
# 49 ILE HA 49 ILE QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 752, 753,
&end
#
# 49 ILE HA 49 ILE QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 748, 749, 750,
&end
#
# 49 ILE HB 49 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 755, 756, 757,
&end
#
# 49 ILE HB 52 ASN HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 746, 797, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 49 ILE HB 52 ASN HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 746, 798, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 49 ILE HB 52 ASN HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 746, 793, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 49 ILE HB 52 ASN QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 797, 798,
&end
#
# 49 ILE HB 53 LEU HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 746, 807, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 49 ILE HN 49 ILE HB 3.59
&rst
ixpk= 0, nxpk= 0, iat= 742, 746, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 49 ILE HN 49 ILE HG12 3.99
&rst
ixpk= 0, nxpk= 0, iat= 742, 752, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 49 ILE HN 49 ILE HG13 3.99
&rst
ixpk= 0, nxpk= 0, iat= 742, 753, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 49 ILE HN 49 ILE QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 755, 756, 757,
&end
#
# 49 ILE HN 49 ILE QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 748, 749, 750,
&end
#
# 49 ILE QD1 50 LYS HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 755, 756, 757,
&end
#
# 49 ILE QD1 51 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 755, 756, 757,
igr2= 787, 788, 789,
&end
#
# 49 ILE QD1 52 ASN HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 755, 756, 757,
&end
#
# 49 ILE QG2 49 ILE HG12 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 748, 749, 750,
&end
#
# 49 ILE QG2 49 ILE HG13 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 748, 749, 750,
&end
#
# 49 ILE QG2 49 ILE QD1 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 748, 749, 750,
igr2= 755, 756, 757,
&end
#
# 49 ILE QG2 51 ALA HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 748, 749, 750,
&end
#
# 49 ILE QG2 51 ALA HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 748, 749, 750,
&end
#
# 49 ILE QG2 51 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 748, 749, 750,
igr2= 787, 788, 789,
&end
#
# 49 ILE QG2 52 ASN HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 748, 749, 750,
&end
#
# 49 ILE QG2 52 ASN HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 748, 749, 750,
&end
#
# 49 ILE QG2 52 ASN HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 748, 749, 750,
&end
#
# 49 ILE QG2 52 ASN QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 748, 749, 750,
igr2= 797, 798,
&end
#
# 49 ILE QG2 53 LEU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 748, 749, 750,
&end
#
# 50 LYS HA 50 LYS HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 763, 768, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 50 LYS HA 50 LYS HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 763, 769, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 50 LYS HA 50 LYS QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 771, 772,
&end
#
# 50 LYS HA 50 LYS QG 3.42
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 768, 769,
&end
#
# 50 LYS HA 53 LEU HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 763, 811, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 50 LYS HA 53 LEU HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 763, 812, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 50 LYS HA 53 LEU HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 763, 807, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 50 LYS HA 53 LEU QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 811, 812,
&end
#
# 50 LYS HA 53 LEU QQD 4.29
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 50 LYS HN 50 LYS QG 4.44
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 768, 769,
&end
#
# 50 LYS QG 50 LYS QE 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 768, 769,
igr2= 774, 775,
&end
#
# 51 ALA HA 53 LEU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 785, 807, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 51 ALA HA 54 ASN HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 785, 830, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 51 ALA HA 54 ASN HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 785, 831, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 51 ALA HA 54 ASN HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 785, 826, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 51 ALA HA 54 ASN QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 830, 831,
&end
#
# 51 ALA HA 54 ASN QD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 835, 836,
&end
#
# 51 ALA HA 55 VAL HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 785, 840, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 51 ALA HA 55 VAL QQG 4.52
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 51 ALA HN 51 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 787, 788, 789,
&end
#
# 51 ALA QB 52 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 787, 788, 789,
&end
#
# 51 ALA QB 52 ASN HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 787, 788, 789,
&end
#
# 51 ALA QB 53 LEU HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 787, 788, 789,
&end
#
# 51 ALA QB 54 ASN QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 787, 788, 789,
igr2= 830, 831,
&end
#
# 51 ALA QB 55 VAL HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 787, 788, 789,
&end
#
# 51 ALA QB 55 VAL QQG 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 787, 788, 789,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 52 ASN HA 55 VAL HB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 795, 844, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 52 ASN HA 55 VAL HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 795, 840, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 52 ASN HA 55 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 846, 847, 848,
&end
#
# 52 ASN HA 55 VAL QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 850, 851, 852,
&end
#
# 52 ASN HA 55 VAL QQG 3.38
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 52 ASN HA 56 HIS HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 795, 856, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 52 ASN HB2 53 LEU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 797, 807, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 52 ASN HB3 53 LEU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 798, 807, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 52 ASN HN 52 ASN HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 52 ASN HN 52 ASN HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 52 ASN HN 52 ASN QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 797, 798,
&end
#
# 52 ASN HN 53 LEU HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 52 ASN HN 54 ASN HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 793, 826, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 52 ASN HN 55 VAL HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 793, 840, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 52 ASN QB 55 VAL QQG 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 797, 798,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 53 LEU HA 53 LEU QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 816, 817, 818,
&end
#
# 53 LEU HA 53 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 820, 821, 822,
&end
#
# 53 LEU HA 53 LEU QQD 3.08
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 53 LEU HA 56 HIS HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 809, 858, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 53 LEU HA 56 HIS HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 809, 860, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 53 LEU HA 56 HIS HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 809, 861, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 53 LEU HA 56 HIS HD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 809, 869, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 53 LEU HA 56 HIS HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 809, 856, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 53 LEU HA 57 LEU HG 4.83
&rst
ixpk= 0, nxpk= 0, iat= 809, 880, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 53 LEU HA 57 LEU HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 809, 873, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 53 LEU HB2 53 LEU QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 816, 817, 818,
&end
#
# 53 LEU HB2 53 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 820, 821, 822,
&end
#
# 53 LEU HB2 54 ASN HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 811, 826, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 53 LEU HB3 53 LEU QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 816, 817, 818,
&end
#
# 53 LEU HB3 53 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 820, 821, 822,
&end
#
# 53 LEU HB3 54 ASN HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 812, 826, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 53 LEU HG 54 ASN HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 814, 828, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 53 LEU HG 57 LEU HG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 814, 880, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 53 LEU HG 57 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 882, 883, 884,
&end
#
# 53 LEU HG 57 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 886, 887, 888,
&end
#
# 53 LEU HN 53 LEU HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 807, 811, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 53 LEU HN 53 LEU HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 807, 812, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 53 LEU HN 53 LEU HG 4.67
&rst
ixpk= 0, nxpk= 0, iat= 807, 814, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 53 LEU HN 53 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 816, 817, 818,
&end
#
# 53 LEU HN 53 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 820, 821, 822,
&end
#
# 53 LEU HN 53 LEU QQD 3.75
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 53 LEU HN 54 ASN HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 807, 826, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 53 LEU HN 54 ASN QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 830, 831,
&end
#
# 53 LEU QB 53 LEU QQD 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 811, 812,
igr2= 816, 817, 818, 820, 821, 822,
&end
#
# 53 LEU QB 54 ASN HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 811, 812,
&end
#
# 53 LEU QB 57 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 811, 812,
igr2= 882, 883, 884,
&end
#
# 53 LEU QD1 57 LEU HG 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 816, 817, 818,
&end
#
# 53 LEU QD2 57 LEU HG 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 820, 821, 822,
&end
#
# 53 LEU QQD 54 ASN HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 816, 817, 818, 820, 821, 822,
&end
#
# 53 LEU QQD 56 HIS HD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 816, 817, 818, 820, 821, 822,
&end
#
# 53 LEU QQD 56 HIS QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 816, 817, 818, 820, 821, 822,
igr2= 860, 861,
&end
#
# 53 LEU QQD 57 LEU HG 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 816, 817, 818, 820, 821, 822,
&end
#
# 53 LEU QQD 57 LEU HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 816, 817, 818, 820, 821, 822,
&end
#
# 53 LEU QQD 60 HIS HD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 816, 817, 818, 820, 821, 822,
&end
#
# 54 ASN HA 57 LEU HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 828, 877, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 54 ASN HA 57 LEU HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 828, 878, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 54 ASN HA 57 LEU HG 4.30
&rst
ixpk= 0, nxpk= 0, iat= 828, 880, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 54 ASN HA 57 LEU HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 828, 873, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 54 ASN HA 57 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 882, 883, 884,
&end
#
# 54 ASN HB2 55 VAL HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 830, 840, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 54 ASN HB3 55 VAL HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 54 ASN HN 54 ASN HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 826, 830, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 54 ASN HN 54 ASN HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 826, 831, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 54 ASN HN 54 ASN QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 830, 831,
&end
#
# 54 ASN HN 55 VAL HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 826, 840, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 54 ASN HN 57 LEU QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 882, 883, 884,
&end
#
# 54 ASN QB 55 VAL HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 830, 831,
&end
#
# 54 ASN QB 55 VAL QQG 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 830, 831,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 55 VAL HA 55 VAL QG1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 846, 847, 848,
&end
#
# 55 VAL HA 55 VAL QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 850, 851, 852,
&end
#
# 55 VAL HA 58 ARG HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 842, 892, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 55 VAL HA 58 ARG QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 902, 903,
&end
#
# 55 VAL HA 58 ARG QG 3.91
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 899, 900,
&end
#
# 55 VAL HB 56 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 844, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 VAL HB 56 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 844, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 VAL HB 56 HIS HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 844, 856, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 55 VAL HB 58 ARG QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 902, 903,
&end
#
# 55 VAL HN 55 VAL HB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 840, 844, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 55 VAL HN 55 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 846, 847, 848,
&end
#
# 55 VAL HN 55 VAL QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 850, 851, 852,
&end
#
# 55 VAL HN 55 VAL QQG 2.81
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 846, 847, 848, 850, 851, 852,
&end
#
# 55 VAL HN 56 HIS HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 840, 856, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 55 VAL HN 56 HIS QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 860, 861,
&end
#
# 55 VAL HN 57 LEU HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 840, 877, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 55 VAL HN 57 LEU HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 840, 873, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 55 VAL QG1 56 HIS HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 846, 847, 848,
&end
#
# 55 VAL QG1 58 ARG QD 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 846, 847, 848,
igr2= 902, 903,
&end
#
# 55 VAL QG2 56 HIS HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 850, 851, 852,
&end
#
# 55 VAL QG2 58 ARG QD 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 850, 851, 852,
igr2= 902, 903,
&end
#
# 55 VAL QQG 56 HIS HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 846, 847, 848, 850, 851, 852,
&end
#
# 55 VAL QQG 56 HIS HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 846, 847, 848, 850, 851, 852,
&end
#
# 55 VAL QQG 58 ARG QD 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 846, 847, 848, 850, 851, 852,
igr2= 902, 903,
&end
#
# 55 VAL QQG 59 LYS QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 846, 847, 848, 850, 851, 852,
igr2= 929, 930,
&end
#
# 56 HIS HA 59 LYS HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 858, 916, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 56 HIS HA 59 LYS QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 920, 921,
&end
#
# 56 HIS HA 59 LYS QD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 926, 927,
&end
#
# 56 HIS HA 59 LYS QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 923, 924,
&end
#
# 56 HIS HA 60 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 858, 938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 HIS HB2 57 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 860, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 HIS HB2 57 LEU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 860, 873, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 56 HIS HB3 57 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 HIS HB3 57 LEU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 56 HIS HD2 57 LEU HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= 869, 875, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 56 HIS HD2 57 LEU HG 4.34
&rst
ixpk= 0, nxpk= 0, iat= 869, 880, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 56 HIS HD2 57 LEU HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 869, 873, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 56 HIS HD2 57 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 886, 887, 888,
&end
#
# 56 HIS HD2 60 HIS HD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 869, 951, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 56 HIS HE1 59 LYS QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 920, 921,
&end
#
# 56 HIS HE1 59 LYS QD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 926, 927,
&end
#
# 56 HIS HE1 59 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 923, 924,
&end
#
# 56 HIS HN 56 HIS HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 856, 860, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 56 HIS HN 56 HIS HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat= 856, 861, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 56 HIS HN 57 LEU HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= 856, 873, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 56 HIS QB 57 LEU HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 860, 861,
&end
#
# 57 LEU HA 57 LEU HG 4.07
&rst
ixpk= 0, nxpk= 0, iat= 875, 880, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 57 LEU HA 57 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 882, 883, 884,
&end
#
# 57 LEU HA 57 LEU QD2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 886, 887, 888,
&end
#
# 57 LEU HA 59 LYS HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 875, 916, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 57 LEU HA 60 HIS HD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 875, 951, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 57 LEU HA 60 HIS HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 875, 938, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 57 LEU HA 60 HIS QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 942, 943,
&end
#
# 57 LEU HB2 57 LEU QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 882, 883, 884,
&end
#
# 57 LEU HB2 57 LEU QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 886, 887, 888,
&end
#
# 57 LEU HB2 58 ARG HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 877, 892, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 57 LEU HB2 58 ARG QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 896, 897,
&end
#
# 57 LEU HB2 60 HIS HD2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 877, 951, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 57 LEU HB3 57 LEU QD1 3.16
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 882, 883, 884,
&end
#
# 57 LEU HB3 57 LEU QD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 886, 887, 888,
&end
#
# 57 LEU HB3 58 ARG HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 878, 894, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 57 LEU HB3 58 ARG HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 878, 892, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 57 LEU HB3 60 HIS HD2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 878, 951, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 57 LEU HG 58 ARG HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 880, 892, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 57 LEU HG 60 HIS HD2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 880, 951, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 57 LEU HN 57 LEU HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 873, 877, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 57 LEU HN 57 LEU HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 57 LEU HN 57 LEU HG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 LEU HN 57 LEU QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 882, 883, 884,
&end
#
# 57 LEU HN 57 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 886, 887, 888,
&end
#
# 57 LEU HN 58 ARG HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 873, 892, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 57 LEU HN 58 ARG QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 896, 897,
&end
#
# 57 LEU QD1 58 ARG HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 882, 883, 884,
&end
#
# 57 LEU QD1 60 HIS HD2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 882, 883, 884,
&end
#
# 57 LEU QD2 60 HIS HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 886, 887, 888,
&end
#
# 57 LEU QD2 60 HIS HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 886, 887, 888,
&end
#
# 57 LEU QD2 60 HIS HD2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 886, 887, 888,
&end
#
# 57 LEU QD2 60 HIS HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 886, 887, 888,
&end
#
# 57 LEU QD2 60 HIS QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 886, 887, 888,
igr2= 942, 943,
&end
#
# 58 ARG HA 58 ARG QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 902, 903,
&end
#
# 58 ARG HA 58 ARG QG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 899, 900,
&end
#
# 58 ARG HA 60 HIS HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 894, 938, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 58 ARG HA 61 THR QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 961, 962, 963,
&end
#
# 58 ARG HB2 58 ARG QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 902, 903,
&end
#
# 58 ARG HB2 59 LYS HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 896, 916, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 58 ARG HB3 58 ARG QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 902, 903,
&end
#
# 58 ARG HB3 59 LYS HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 897, 916, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 58 ARG HN 58 ARG HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 892, 896, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 58 ARG HN 58 ARG HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 892, 897, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 58 ARG HN 58 ARG HG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 892, 899, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 58 ARG HN 58 ARG HG3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 892, 900, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 58 ARG HN 58 ARG QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 896, 897,
&end
#
# 58 ARG HN 58 ARG QD 4.14
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 902, 903,
&end
#
# 58 ARG HN 58 ARG QG 3.46
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 899, 900,
&end
#
# 58 ARG HN 59 LYS HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= 892, 916, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 58 ARG HN 59 LYS QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 920, 921,
&end
#
# 58 ARG QB 58 ARG QD 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 896, 897,
igr2= 902, 903,
&end
#
# 58 ARG QB 61 THR QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 896, 897,
igr2= 961, 962, 963,
&end
#
# 59 LYS HA 59 LYS QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 926, 927,
&end
#
# 59 LYS HA 59 LYS QG 3.45
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 923, 924,
&end
#
# 59 LYS HA 61 THR QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 961, 962, 963,
&end
#
# 59 LYS HN 59 LYS QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 920, 921,
&end
#
# 59 LYS HN 59 LYS QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 926, 927,
&end
#
# 59 LYS HN 59 LYS QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 923, 924,
&end
#
# 59 LYS HN 60 HIS HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 916, 938, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 59 LYS QB 59 LYS QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 920, 921,
igr2= 929, 930,
&end
#
# 59 LYS QB 60 HIS HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 920, 921,
&end
#
# 59 LYS QG 59 LYS QE 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 923, 924,
igr2= 929, 930,
&end
#
# 59 LYS QG 60 HIS HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 923, 924,
&end
#
# 60 HIS HB2 61 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 961, 962, 963,
&end
#
# 60 HIS HB3 61 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 961, 962, 963,
&end
#
# 60 HIS HN 60 HIS HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 938, 942, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 60 HIS HN 60 HIS HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 938, 943, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 60 HIS HN 60 HIS HD2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 938, 951, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 60 HIS HN 60 HIS QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 942, 943,
&end
#
# 60 HIS HN 61 THR HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 938, 955, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 60 HIS HN 61 THR QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 961, 962, 963,
&end
#
# 60 HIS QB 60 HIS HD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 942, 943,
&end
#
# 60 HIS QB 61 THR QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 942, 943,
igr2= 961, 962, 963,
&end
#
# 61 THR HA 61 THR QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 961, 962, 963,
&end
#
# 61 THR HN 61 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 961, 962, 963,
&end
#
# 62 GLY QA 63 GLU QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 971, 972,
igr2= 980, 981,
&end
#
# 63 GLU HA 63 GLU HG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 978, 983, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 63 GLU HA 63 GLU HG3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 978, 984, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 63 GLU HA 63 GLU QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 983, 984,
&end
#
# 63 GLU HA 64 LYS HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 978, 993, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 63 GLU HA 64 LYS HN 2.88
&rst
ixpk= 0, nxpk= 0, iat= 978, 991, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 63 GLU HA 64 LYS QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 995, 996,
&end
#
# 63 GLU HG2 64 LYS HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 983, 991, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 63 GLU HG3 64 LYS HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 984, 991, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 63 GLU HN 63 GLU HG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 976, 983, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 63 GLU HN 63 GLU HG3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 976, 984, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 63 GLU HN 63 GLU QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 980, 981,
&end
#
# 63 GLU HN 64 LYS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 976, 991, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 63 GLU QB 64 LYS HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 980, 981,
&end
#
# 63 GLU QB 65 PHE HZ 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 980, 981,
&end
#
# 63 GLU QB 65 PHE QE 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 980, 981,
igr2=1023,1027,
&end
#
# 64 LYS HA 64 LYS QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1001,1002,
&end
#
# 64 LYS HA 64 LYS QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1004,1005,
&end
#
# 64 LYS HA 65 PHE HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 993,1017, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 64 LYS HA 65 PHE HN 2.94
&rst
ixpk= 0, nxpk= 0, iat= 993,1013, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 64 LYS HA 65 PHE QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1021,1029,
&end
#
# 64 LYS HA 74 CYS HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 993,1141, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 64 LYS HA 75 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1161,1162,1163,1165,1166,1167,
&end
#
# 64 LYS HG2 65 PHE HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 64 LYS HG3 65 PHE HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 999,1013, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 64 LYS HN 64 LYS HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 991, 998, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 64 LYS HN 64 LYS HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 991, 999, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 64 LYS HN 64 LYS QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 995, 996,
&end
#
# 64 LYS HN 65 PHE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 991,1013, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 64 LYS QB 64 LYS QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 995, 996,
igr2=1004,1005,
&end
#
# 64 LYS QB 65 PHE HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 995, 996,
&end
#
# 64 LYS QB 65 PHE QD 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 995, 996,
igr2=1021,1029,
&end
#
# 64 LYS QB 73 THR HB 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 995, 996,
&end
#
# 64 LYS QB 73 THR QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 995, 996,
igr2=1133,1134,1135,
&end
#
# 64 LYS QB 74 CYS HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 995, 996,
&end
#
# 64 LYS QB 75 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 995, 996,
igr2=1161,1162,1163,1165,1166,1167,
&end
#
# 64 LYS QD 73 THR HB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1001,1002,
&end
#
# 64 LYS QD 73 THR QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1001,1002,
igr2=1133,1134,1135,
&end
#
# 64 LYS QD 75 LEU QQD 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1001,1002,
igr2=1161,1162,1163,1165,1166,1167,
&end
#
# 64 LYS QE 73 THR HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1004,1005,
&end
#
# 64 LYS QE 73 THR QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1004,1005,
igr2=1133,1134,1135,
&end
#
# 64 LYS QE 75 LEU QQD 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1004,1005,
igr2=1161,1162,1163,1165,1166,1167,
&end
#
# 64 LYS QG 65 PHE HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 998, 999,
&end
#
# 64 LYS QG 73 THR HB 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 998, 999,
&end
#
# 64 LYS QG 75 LEU QQD 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 998, 999,
igr2=1161,1162,1163,1165,1166,1167,
&end
#
# 65 PHE HA 65 PHE QD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1021,1029,
&end
#
# 65 PHE HA 65 PHE QE 4.99
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1023,1027,
&end
#
# 65 PHE HA 66 ALA HN 2.88
&rst
ixpk= 0, nxpk= 0, iat=1015,1033, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 65 PHE HA 66 ALA QB 4.20
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1037,1038,1039,
&end
#
# 65 PHE HA 80 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 65 PHE HB2 80 LEU HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1017,1232, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 PHE HB2 80 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat=1017,1233, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 PHE HB2 80 LEU QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1232,1233,
&end
#
# 65 PHE HB2 80 LEU QQD 3.39
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 65 PHE HB3 66 ALA HN 3.81
&rst
ixpk= 0, nxpk= 0, iat=1018,1033, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 65 PHE HB3 66 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1037,1038,1039,
&end
#
# 65 PHE HB3 80 LEU HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1018,1232, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 PHE HB3 80 LEU HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat=1018,1233, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 PHE HB3 80 LEU QB 4.06
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1232,1233,
&end
#
# 65 PHE HN 65 PHE HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1013,1017, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 65 PHE HN 65 PHE HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat=1013,1018, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 PHE HN 65 PHE QD 3.82
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1021,1029,
&end
#
# 65 PHE HN 65 PHE QE 5.21
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1023,1027,
&end
#
# 65 PHE HZ 77 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1186,1187,
&end
#
# 65 PHE HZ 77 LYS QG 5.27
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1189,1190,
&end
#
# 65 PHE QD 65 PHE HZ 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1021,1029,
&end
#
# 65 PHE QD 66 ALA HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1021,1029,
&end
#
# 65 PHE QD 75 LEU HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1021,1029,
&end
#
# 65 PHE QD 76 SER HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1021,1029,
&end
#
# 65 PHE QD 76 SER HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1021,1029,
&end
#
# 65 PHE QD 77 LYS HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1021,1029,
&end
#
# 65 PHE QD 77 LYS HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1021,1029,
&end
#
# 65 PHE QD 80 LEU QQD 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1021,1029,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 65 PHE QE 75 LEU HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1023,1027,
&end
#
# 65 PHE QE 76 SER HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1023,1027,
&end
#
# 65 PHE QE 77 LYS HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1023,1027,
&end
#
# 65 PHE QE 77 LYS HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1023,1027,
&end
#
# 65 PHE QE 77 LYS QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1023,1027,
igr2=1186,1187,
&end
#
# 65 PHE QE 77 LYS QG 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1023,1027,
igr2=1189,1190,
&end
#
# 66 ALA HA 67 CYM HA 4.53
&rst
ixpk= 0, nxpk= 0, iat=1035,1045, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 66 ALA HA 67 CYM HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1035,1048, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 66 ALA HA 67 CYM HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 66 ALA HA 67 CYM HN 3.19
&rst
ixpk= 0, nxpk= 0, iat=1035,1043, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 66 ALA HA 73 THR HB 4.34
&rst
ixpk= 0, nxpk= 0, iat=1035,1131, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 66 ALA HA 73 THR QG2 3.41
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1133,1134,1135,
&end
#
# 66 ALA HA 80 LEU QQD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 66 ALA HN 66 ALA QB 3.19
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1037,1038,1039,
&end
#
# 66 ALA HN 73 THR QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1133,1134,1135,
&end
#
# 66 ALA HN 80 LEU QQD 4.23
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 66 ALA QB 67 CYM HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1037,1038,1039,
&end
#
# 66 ALA QB 67 CYM HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1037,1038,1039,
&end
#
# 66 ALA QB 67 CYM HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1037,1038,1039,
&end
#
# 66 ALA QB 73 THR HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1037,1038,1039,
&end
#
# 66 ALA QB 73 THR HB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1037,1038,1039,
&end
#
# 66 ALA QB 73 THR QG2 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1037,1038,1039,
igr2=1133,1134,1135,
&end
#
# 67 CYM HA 68 ASP HN 3.11
&rst
ixpk= 0, nxpk= 0, iat=1045,1053, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 67 CYM HA 68 ASP QB 5.17
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1057,1058,
&end
#
# 67 CYM HA 69 TYR HN 4.31
&rst
ixpk= 0, nxpk= 0, iat=1045,1065, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 67 CYM HA 80 LEU QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1237,1238,1239,
&end
#
# 67 CYM HA 80 LEU QD2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1241,1242,1243,
&end
#
# 67 CYM HA 80 LEU QQD 3.23
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 67 CYM HA 84 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1045,1312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 CYM HA 84 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1315,1316,1317,
&end
#
# 67 CYM HB2 68 ASP HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1048,1053, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 67 CYM HB2 70 CYM HN 4.21
&rst
ixpk= 0, nxpk= 0, iat=1048,1086, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 67 CYM HB2 72 PHE HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat=1048,1111, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 67 CYM HB2 72 PHE HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1048,1112, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 67 CYM HB2 72 PHE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=1048,1107, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 67 CYM HB2 72 PHE QD 3.69
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1115,1123,
&end
#
# 67 CYM HB2 80 LEU QQD 3.45
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 67 CYM HB2 83 HIS HD2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1048,1298, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 67 CYM HB3 68 ASP HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=1047,1053, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 67 CYM HB3 69 TYR HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1047,1065, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 67 CYM HB3 69 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1073,1082,
&end
#
# 67 CYM HB3 70 CYM HN 3.53
&rst
ixpk= 0, nxpk= 0, iat=1047,1086, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 67 CYM HB3 72 PHE HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1047,1111, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 67 CYM HB3 72 PHE HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=1047,1112, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 67 CYM HB3 72 PHE HN 3.94
&rst
ixpk= 0, nxpk= 0, iat=1047,1107, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 67 CYM HB3 72 PHE QD 4.04
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1115,1123,
&end
#
# 67 CYM HB3 80 LEU QQD 3.99
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 67 CYM HB3 83 HIS HD2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1047,1298, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 67 CYM HN 67 CYM HB2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1043,1048, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 67 CYM HN 67 CYM HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 67 CYM HN 72 PHE HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat=1043,1112, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 67 CYM HN 72 PHE QD 4.40
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1115,1123,
&end
#
# 67 CYM HN 73 THR HA 3.94
&rst
ixpk= 0, nxpk= 0, iat=1043,1129, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 67 CYM HN 73 THR QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1133,1134,1135,
&end
#
# 67 CYM HN 80 LEU QQD 3.84
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 68 ASP HN 68 ASP HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1053,1057, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 68 ASP HN 68 ASP HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=1053,1058, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 68 ASP HN 68 ASP QB 3.29
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1057,1058,
&end
#
# 68 ASP HN 69 TYR HN 3.54
&rst
ixpk= 0, nxpk= 0, iat=1053,1065, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 68 ASP HN 69 TYR QD 4.58
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1073,1082,
&end
#
# 68 ASP HN 80 LEU QQD 4.25
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 68 ASP HN 84 ILE QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1315,1316,1317,
&end
#
# 68 ASP HN 84 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1308,1309,1310,
&end
#
# 68 ASP QB 69 TYR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1057,1058,
&end
#
# 68 ASP QB 69 TYR QD 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1057,1058,
igr2=1073,1082,
&end
#
# 68 ASP QB 69 TYR QE 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1057,1058,
igr2=1075,1080,
&end
#
# 69 TYR HA 69 TYR QD 3.49
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1073,1082,
&end
#
# 69 TYR HA 69 TYR QE 4.71
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1075,1080,
&end
#
# 69 TYR HB2 70 CYM HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1069,1086, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 69 TYR HB2 88 HIS HE1 4.54
&rst
ixpk= 0, nxpk= 0, iat=1069,1386, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 69 TYR HB3 70 CYM HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1070,1086, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 69 TYR HB3 88 HIS HE1 4.54
&rst
ixpk= 0, nxpk= 0, iat=1070,1386, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 69 TYR HN 69 TYR HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1065,1069, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 69 TYR HN 69 TYR HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1065,1070, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 69 TYR HN 69 TYR QB 3.22
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1069,1070,
&end
#
# 69 TYR HN 69 TYR QD 3.70
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1073,1082,
&end
#
# 69 TYR HN 70 CYM HN 3.05
&rst
ixpk= 0, nxpk= 0, iat=1065,1086, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 69 TYR QB 70 CYM HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1069,1070,
&end
#
# 69 TYR QB 84 ILE QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1069,1070,
igr2=1308,1309,1310,
&end
#
# 69 TYR QB 88 HIS HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1069,1070,
&end
#
# 69 TYR QD 70 CYM HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1073,1082,
&end
#
# 69 TYR QD 84 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1073,1082,
&end
#
# 69 TYR QD 84 ILE QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1073,1082,
igr2=1315,1316,1317,
&end
#
# 69 TYR QD 84 ILE QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1073,1082,
igr2=1308,1309,1310,
&end
#
# 69 TYR QD 88 HIS HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1073,1082,
&end
#
# 69 TYR QD 88 HIS HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1073,1082,
&end
#
# 69 TYR QD 88 HIS HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1073,1082,
&end
#
# 69 TYR QE 84 ILE QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1075,1080,
igr2=1315,1316,1317,
&end
#
# 69 TYR QE 84 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1075,1080,
igr2=1308,1309,1310,
&end
#
# 70 CYM HA 88 HIS HE1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1088,1386, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 70 CYM HB2 71 SER HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 70 CYM HB3 71 SER HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1090,1096, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 70 CYM QB 71 SER HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1091,1090,
&end
#
# 70 CYM QB 88 HIS HE1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1091,1090,
&end
#
# 72 PHE HA 72 PHE QD 3.86
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1115,1123,
&end
#
# 72 PHE HA 73 THR HN 2.78
&rst
ixpk= 0, nxpk= 0, iat=1109,1127, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 72 PHE HA 73 THR QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1133,1134,1135,
&end
#
# 72 PHE HB2 73 THR HN 4.22
&rst
ixpk= 0, nxpk= 0, iat=1111,1127, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 72 PHE HB2 83 HIS HE1 3.87
&rst
ixpk= 0, nxpk= 0, iat=1111,1295, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 72 PHE HB3 73 THR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1112,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 PHE HB3 83 HIS HD2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1112,1298, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 72 PHE HB3 83 HIS HE1 4.13
&rst
ixpk= 0, nxpk= 0, iat=1112,1295, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 72 PHE HN 72 PHE HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1107,1111, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 72 PHE HN 72 PHE HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat=1107,1112, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 72 PHE HN 72 PHE QD 4.22
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1115,1123,
&end
#
# 72 PHE HN 73 THR HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1107,1127, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 72 PHE HZ 74 CYS HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1119,1145, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 72 PHE HZ 74 CYS HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat=1119,1146, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 72 PHE HZ 74 CYS QB 3.84
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1145,1146,
&end
#
# 72 PHE HZ 83 HIS HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat=1119,1289, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 72 PHE QD 73 THR HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1115,1123,
&end
#
# 72 PHE QD 80 LEU QQD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1115,1123,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 72 PHE QD 83 HIS HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1115,1123,
&end
#
# 72 PHE QD 83 HIS HE1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1115,1123,
&end
#
# 72 PHE QE 74 CYS HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1117,1121,
&end
#
# 72 PHE QE 74 CYS HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1117,1121,
&end
#
# 72 PHE QE 74 CYS QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1117,1121,
igr2=1145,1146,
&end
#
# 72 PHE QE 80 LEU HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1117,1121,
&end
#
# 72 PHE QE 80 LEU QQD 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1117,1121,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 72 PHE QE 83 HIS HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1117,1121,
&end
#
# 73 THR HA 73 THR QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1133,1134,1135,
&end
#
# 73 THR HA 74 CYS HN 3.05
&rst
ixpk= 0, nxpk= 0, iat=1129,1141, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 73 THR HA 80 LEU QQD 4.93
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 73 THR HB 74 CYS HN 3.35
&rst
ixpk= 0, nxpk= 0, iat=1131,1141, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 73 THR HB 75 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1161,1162,1163,1165,1166,1167,
&end
#
# 73 THR HN 73 THR QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1133,1134,1135,
&end
#
# 73 THR HN 74 CYS HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1127,1141, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 73 THR QG2 74 CYS HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1133,1134,1135,
&end
#
# 74 CYS HB2 76 SER HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=1145,1171, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 74 CYS HB3 76 SER HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=1146,1171, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 74 CYS HN 74 CYS QB 3.54
&rst
ixpk= 0, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1145,1146,
&end
#
# 74 CYS QB 76 SER HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1145,1146,
&end
#
# 74 CYS QB 79 HIS QB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1145,1146,
igr2=1215,1216,
&end
#
# 74 CYS QB 80 LEU HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1145,1146,
&end
#
# 74 CYS QB 80 LEU QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1145,1146,
igr2=1232,1233,
&end
#
# 75 LEU HA 75 LEU HG 3.91
&rst
ixpk= 0, nxpk= 0, iat=1154,1159, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 75 LEU HB2 75 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1161,1162,1163,
&end
#
# 75 LEU HB2 75 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1165,1166,1167,
&end
#
# 75 LEU HB2 76 SER HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 75 LEU HB3 75 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1161,1162,1163,
&end
#
# 75 LEU HB3 75 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1165,1166,1167,
&end
#
# 75 LEU HB3 76 SER HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1157,1171, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 75 LEU QB 75 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=1156,1157,
igr2=1161,1162,1163,1165,1166,1167,
&end
#
# 76 SER HB2 79 HIS QB 4.44
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1215,1216,
&end
#
# 76 SER HB3 79 HIS QB 4.44
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1215,1216,
&end
#
# 76 SER HN 79 HIS QB 3.81
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1215,1216,
&end
#
# 76 SER QB 79 HIS HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1175,1176,
&end
#
# 76 SER QB 79 HIS QB 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1175,1176,
igr2=1215,1216,
&end
#
# 77 LYS HA 77 LYS QG 3.82
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1189,1190,
&end
#
# 77 LYS HA 80 LEU HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat=1184,1232, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 77 LYS HA 80 LEU HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat=1184,1233, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 77 LYS HA 80 LEU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat=1184,1228, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 77 LYS HA 80 LEU QB 3.43
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1232,1233,
&end
#
# 77 LYS HA 80 LEU QQD 4.52
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 77 LYS HA 81 LYS HN 4.83
&rst
ixpk= 0, nxpk= 0, iat=1184,1247, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 77 LYS QG 77 LYS QE 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1189,1190,
igr2=1195,1196,
&end
#
# 78 GLY HA2 81 LYS HN 4.14
&rst
ixpk= 0, nxpk= 0, iat=1206,1247, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 78 GLY HA2 81 LYS QB 3.84
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1251,1252,
&end
#
# 78 GLY HA3 81 LYS HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=1207,1247, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 78 GLY HA3 81 LYS QB 4.76
&rst
ixpk= 0, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1251,1252,
&end
#
# 79 HIS HA 79 HIS HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1213,1224, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 79 HIS HA 82 VAL HB 4.17
&rst
ixpk= 0, nxpk= 0, iat=1213,1273, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 79 HIS HA 82 VAL HN 4.08
&rst
ixpk= 0, nxpk= 0, iat=1213,1269, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 79 HIS HA 82 VAL QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1275,1276,1277,
&end
#
# 79 HIS HA 82 VAL QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1279,1280,1281,
&end
#
# 79 HIS HA 82 VAL QQG 3.64
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 79 HIS HN 79 HIS QB 3.31
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1215,1216,
&end
#
# 79 HIS HN 81 LYS HN 4.66
&rst
ixpk= 0, nxpk= 0, iat=1211,1247, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 79 HIS QB 80 LEU HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1215,1216,
&end
#
# 79 HIS QB 82 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1215,1216,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 80 LEU HA 80 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1237,1238,1239,
&end
#
# 80 LEU HA 80 LEU QD2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1241,1242,1243,
&end
#
# 80 LEU HA 80 LEU QQD 3.12
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU HA 83 HIS HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1230,1289, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 80 LEU HA 83 HIS HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat=1230,1290, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 80 LEU HA 83 HIS HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1230,1285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 LEU HA 84 ILE HN 4.66
&rst
ixpk= 0, nxpk= 0, iat=1230,1302, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 80 LEU HB2 81 LYS HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1232,1247, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 80 LEU HB3 81 LYS HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1233,1247, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 80 LEU HG 81 LYS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1235,1247, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 80 LEU HG 84 ILE HG13 4.49
&rst
ixpk= 0, nxpk= 0, iat=1235,1313, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 80 LEU HG 84 ILE QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1315,1316,1317,
&end
#
# 80 LEU HN 80 LEU HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1228,1232, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 80 LEU HN 80 LEU HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat=1228,1233, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 80 LEU HN 80 LEU HG 4.60
&rst
ixpk= 0, nxpk= 0, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 80 LEU HN 80 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1237,1238,1239,
&end
#
# 80 LEU HN 80 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1241,1242,1243,
&end
#
# 80 LEU HN 80 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU HN 81 LYS HN 3.46
&rst
ixpk= 0, nxpk= 0, iat=1228,1247, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 80 LEU HN 81 LYS QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1251,1252,
&end
#
# 80 LEU HN 82 VAL QQG 5.11
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 80 LEU QB 80 LEU QQD 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1232,1233,
igr2=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU QB 81 LYS HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1232,1233,
&end
#
# 80 LEU QD1 81 LYS HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1237,1238,1239,
&end
#
# 80 LEU QD2 81 LYS HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1241,1242,1243,
&end
#
# 80 LEU QQD 81 LYS HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU QQD 81 LYS HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU QQD 83 HIS HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU QQD 83 HIS HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU QQD 83 HIS HD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU QQD 84 ILE HG12 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU QQD 84 ILE HG13 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1237,1238,1239,1241,1242,1243,
&end
#
# 80 LEU QQD 84 ILE HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1237,1238,1239,1241,1242,1243,
&end
#
# 81 LYS HA 81 LYS HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1249,1254, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 81 LYS HA 81 LYS HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat=1249,1255, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 81 LYS HA 81 LYS QD 4.71
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1257,1258,
&end
#
# 81 LYS HA 81 LYS QG 3.45
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1254,1255,
&end
#
# 81 LYS HA 84 ILE HB 3.71
&rst
ixpk= 0, nxpk= 0, iat=1249,1306, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 81 LYS HA 84 ILE HG13 4.84
&rst
ixpk= 0, nxpk= 0, iat=1249,1313, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 81 LYS HA 84 ILE HN 3.99
&rst
ixpk= 0, nxpk= 0, iat=1249,1302, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 81 LYS HA 84 ILE QD1 3.79
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1315,1316,1317,
&end
#
# 81 LYS HA 84 ILE QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1308,1309,1310,
&end
#
# 81 LYS HG2 81 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1260,1261,
&end
#
# 81 LYS HG3 81 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1260,1261,
&end
#
# 81 LYS HN 81 LYS HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1247,1254, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 81 LYS HN 81 LYS HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat=1247,1255, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 81 LYS HN 81 LYS QB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1251,1252,
&end
#
# 81 LYS HN 81 LYS QG 4.09
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1254,1255,
&end
#
# 81 LYS HN 82 VAL HN 3.56
&rst
ixpk= 0, nxpk= 0, iat=1247,1269, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 81 LYS HN 82 VAL QQG 5.17
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 81 LYS HN 84 ILE QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1315,1316,1317,
&end
#
# 81 LYS QB 81 LYS HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1251,1252,
&end
#
# 81 LYS QB 81 LYS HD3 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1251,1252,
&end
#
# 81 LYS QB 81 LYS QD 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1251,1252,
igr2=1257,1258,
&end
#
# 81 LYS QB 81 LYS QE 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1251,1252,
igr2=1260,1261,
&end
#
# 81 LYS QB 82 VAL HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1251,1252,
&end
#
# 81 LYS QB 82 VAL QQG 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1251,1252,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 81 LYS QG 81 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=1254,1255,
igr2=1260,1261,
&end
#
# 81 LYS QG 82 VAL HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1254,1255,
&end
#
# 82 VAL HA 82 VAL QG1 3.34
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1275,1276,1277,
&end
#
# 82 VAL HA 82 VAL QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1279,1280,1281,
&end
#
# 82 VAL HA 85 GLU HB2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1271,1325, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 82 VAL HA 85 GLU HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat=1271,1326, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 82 VAL HA 85 GLU HG2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1271,1328, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 82 VAL HA 85 GLU HG3 5.06
&rst
ixpk= 0, nxpk= 0, iat=1271,1329, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 82 VAL HA 85 GLU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1271,1321, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 82 VAL HA 85 GLU QB 3.50
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1325,1326,
&end
#
# 82 VAL HA 85 GLU QG 4.26
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1328,1329,
&end
#
# 82 VAL HA 86 ARG HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1271,1336, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 82 VAL HA 86 ARG QG 4.80
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1343,1344,
&end
#
# 82 VAL HB 83 HIS HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=1273,1285, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 82 VAL HN 82 VAL HB 3.21
&rst
ixpk= 0, nxpk= 0, iat=1269,1273, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 82 VAL HN 82 VAL QG1 3.96
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1275,1276,1277,
&end
#
# 82 VAL HN 82 VAL QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1279,1280,1281,
&end
#
# 82 VAL HN 82 VAL QQG 3.06
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 82 VAL HN 83 HIS HN 3.54
&rst
ixpk= 0, nxpk= 0, iat=1269,1285, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 82 VAL HN 84 ILE HN 4.75
&rst
ixpk= 0, nxpk= 0, iat=1269,1302, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 82 VAL QG1 83 HIS HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1275,1276,1277,
&end
#
# 82 VAL QG1 85 GLU HB2 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1=1275,1276,1277,
&end
#
# 82 VAL QG1 85 GLU HB3 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1=1275,1276,1277,
&end
#
# 82 VAL QG2 83 HIS HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1279,1280,1281,
&end
#
# 82 VAL QG2 85 GLU HB2 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1=1279,1280,1281,
&end
#
# 82 VAL QG2 85 GLU HB3 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1=1279,1280,1281,
&end
#
# 82 VAL QQG 83 HIS HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 82 VAL QQG 83 HIS HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 82 VAL QQG 83 HIS HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 82 VAL QQG 84 ILE HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 82 VAL QQG 85 GLU QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1325,1326,
&end
#
# 82 VAL QQG 86 ARG HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 82 VAL QQG 86 ARG QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1340,1341,
&end
#
# 82 VAL QQG 86 ARG QD 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1346,1347,
&end
#
# 82 VAL QQG 86 ARG QG 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1343,1344,
&end
#
# 83 HIS HA 86 ARG HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1287,1336, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 83 HIS HA 86 ARG QB 3.96
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1340,1341,
&end
#
# 83 HIS HA 87 VAL HN 4.54
&rst
ixpk= 0, nxpk= 0, iat=1287,1360, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 83 HIS HA 87 VAL QQG 3.80
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1366,1367,1368,1370,1371,1372,
&end
#
# 83 HIS HB2 84 ILE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=1289,1302, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 83 HIS HB3 83 HIS HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1290,1298, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 83 HIS HB3 84 ILE HG13 4.44
&rst
ixpk= 0, nxpk= 0, iat=1290,1313, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 83 HIS HB3 84 ILE HN 3.58
&rst
ixpk= 0, nxpk= 0, iat=1290,1302, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 83 HIS HB3 87 VAL QQG 4.99
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1366,1367,1368,1370,1371,1372,
&end
#
# 83 HIS HD2 84 ILE HA 4.03
&rst
ixpk= 0, nxpk= 0, iat=1298,1304, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 83 HIS HD2 84 ILE HG12 4.11
&rst
ixpk= 0, nxpk= 0, iat=1298,1312, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 83 HIS HD2 84 ILE HG13 3.78
&rst
ixpk= 0, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 83 HIS HD2 84 ILE HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1298,1302, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 83 HIS HD2 84 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1315,1316,1317,
&end
#
# 83 HIS HD2 84 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1308,1309,1310,
&end
#
# 83 HIS HD2 88 HIS HD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1298,1389, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 83 HIS HE1 87 VAL HB 4.56
&rst
ixpk= 0, nxpk= 0, iat=1295,1364, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 83 HIS HE1 87 VAL QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1366,1367,1368,
&end
#
# 83 HIS HE1 87 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1370,1371,1372,
&end
#
# 83 HIS HN 83 HIS HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1285,1289, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 83 HIS HN 83 HIS HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat=1285,1290, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 83 HIS HN 84 ILE HN 3.74
&rst
ixpk= 0, nxpk= 0, iat=1285,1302, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 84 ILE HA 84 ILE HG12 3.53
&rst
ixpk= 0, nxpk= 0, iat=1304,1312, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 84 ILE HA 84 ILE HG13 3.72
&rst
ixpk= 0, nxpk= 0, iat=1304,1313, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 84 ILE HA 84 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1315,1316,1317,
&end
#
# 84 ILE HA 84 ILE QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1308,1309,1310,
&end
#
# 84 ILE HA 86 ARG HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1304,1336, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 84 ILE HA 87 VAL HB 4.72
&rst
ixpk= 0, nxpk= 0, iat=1304,1364, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 84 ILE HA 87 VAL HN 5.17
&rst
ixpk= 0, nxpk= 0, iat=1304,1360, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 84 ILE HA 87 VAL QQG 5.32
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1366,1367,1368,1370,1371,1372,
&end
#
# 84 ILE HA 88 HIS HD2 3.06
&rst
ixpk= 0, nxpk= 0, iat=1304,1389, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 84 ILE HA 88 HIS HN 3.82
&rst
ixpk= 0, nxpk= 0, iat=1304,1376, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 84 ILE HA 88 HIS QB 3.72
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1380,1381,
&end
#
# 84 ILE HB 84 ILE QD1 3.23
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1315,1316,1317,
&end
#
# 84 ILE HB 85 GLU HN 3.77
&rst
ixpk= 0, nxpk= 0, iat=1306,1321, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 84 ILE HG12 88 HIS HD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1312,1389, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 84 ILE HG13 85 GLU HN 4.76
&rst
ixpk= 0, nxpk= 0, iat=1313,1321, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 84 ILE HG13 88 HIS HD2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1313,1389, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 84 ILE HN 84 ILE HB 3.28
&rst
ixpk= 0, nxpk= 0, iat=1302,1306, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 84 ILE HN 84 ILE HG12 3.80
&rst
ixpk= 0, nxpk= 0, iat=1302,1312, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 84 ILE HN 84 ILE HG13 3.41
&rst
ixpk= 0, nxpk= 0, iat=1302,1313, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 84 ILE HN 84 ILE QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1315,1316,1317,
&end
#
# 84 ILE HN 84 ILE QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1308,1309,1310,
&end
#
# 84 ILE HN 85 GLU HN 3.53
&rst
ixpk= 0, nxpk= 0, iat=1302,1321, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 84 ILE HN 86 ARG HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1302,1336, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 84 ILE HN 87 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1302,1360, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ILE HN 88 HIS HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1302,1389, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 84 ILE QD1 85 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1315,1316,1317,
&end
#
# 84 ILE QD1 88 HIS HD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1315,1316,1317,
&end
#
# 84 ILE QG2 84 ILE HG12 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 84 ILE HG13 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 84 ILE QD1 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1308,1309,1310,
igr2=1315,1316,1317,
&end
#
# 84 ILE QG2 85 GLU HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 85 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 85 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1326, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 85 GLU HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 85 GLU QG 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1308,1309,1310,
igr2=1328,1329,
&end
#
# 84 ILE QG2 86 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 87 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 88 HIS HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 88 HIS HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 88 HIS HD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 88 HIS HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 88 HIS QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1308,1309,1310,
igr2=1380,1381,
&end
#
# 84 ILE QG2 89 LYS HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1308,1309,1310,
&end
#
# 84 ILE QG2 89 LYS QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1308,1309,1310,
igr2=1397,1398,
&end
#
# 84 ILE QG2 89 LYS QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1308,1309,1310,
igr2=1406,1407,
&end
#
# 84 ILE QG2 89 LYS QG 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1308,1309,1310,
igr2=1400,1401,
&end
#
# 85 GLU HA 85 GLU HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1323,1328, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 85 GLU HA 85 GLU HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1323,1329, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 85 GLU HA 85 GLU QG 3.44
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1328,1329,
&end
#
# 85 GLU HA 89 LYS HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1323,1395, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 85 GLU HA 89 LYS HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1323,1400, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 85 GLU HA 89 LYS HG3 4.62
&rst
ixpk= 0, nxpk= 0, iat=1323,1401, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 85 GLU HA 89 LYS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1323,1393, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 85 GLU HA 89 LYS QB 3.59
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1397,1398,
&end
#
# 85 GLU HA 89 LYS QD 4.60
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1403,1404,
&end
#
# 85 GLU HB2 86 ARG HN 4.25
&rst
ixpk= 0, nxpk= 0, iat=1325,1336, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 85 GLU HB3 86 ARG HN 4.25
&rst
ixpk= 0, nxpk= 0, iat=1326,1336, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 85 GLU HN 85 GLU HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1321,1325, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 85 GLU HN 85 GLU HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat=1321,1326, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 85 GLU HN 85 GLU HG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1321,1328, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 85 GLU HN 85 GLU HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat=1321,1329, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 85 GLU HN 85 GLU QB 3.14
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1325,1326,
&end
#
# 85 GLU HN 85 GLU QG 3.66
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1328,1329,
&end
#
# 85 GLU HN 86 ARG HN 3.52
&rst
ixpk= 0, nxpk= 0, iat=1321,1336, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 85 GLU QB 86 ARG HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1325,1326,
&end
#
# 85 GLU QB 86 ARG QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1325,1326,
igr2=1343,1344,
&end
#
# 86 ARG HA 86 ARG QD 3.93
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1346,1347,
&end
#
# 86 ARG HA 86 ARG QG 3.66
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1343,1344,
&end
#
# 86 ARG HB2 86 ARG QD 3.99
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1346,1347,
&end
#
# 86 ARG HB2 87 VAL HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=1340,1360, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 86 ARG HB3 86 ARG QD 3.99
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1346,1347,
&end
#
# 86 ARG HB3 87 VAL HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=1341,1360, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 86 ARG HN 86 ARG HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1336,1340, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 86 ARG HN 86 ARG HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1336,1341, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 86 ARG HN 86 ARG HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1336,1343, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 86 ARG HN 86 ARG HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1336,1344, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 86 ARG HN 86 ARG QB 3.22
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1340,1341,
&end
#
# 86 ARG HN 86 ARG QD 4.37
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1346,1347,
&end
#
# 86 ARG HN 86 ARG QG 3.34
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1343,1344,
&end
#
# 86 ARG HN 89 LYS HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1336,1393, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 86 ARG QB 87 VAL HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1340,1341,
&end
#
# 86 ARG QB 87 VAL QQG 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1340,1341,
igr2=1366,1367,1368,1370,1371,1372,
&end
#
# 86 ARG QG 87 VAL QQG 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1343,1344,
igr2=1366,1367,1368,1370,1371,1372,
&end
#
# 87 VAL HA 87 VAL QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1366,1367,1368,
&end
#
# 87 VAL HA 87 VAL QG2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1370,1371,1372,
&end
#
# 87 VAL HA 87 VAL QQG 2.76
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1366,1367,1368,1370,1371,1372,
&end
#
# 87 VAL HB 88 HIS HD2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1364,1389, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 87 VAL HB 88 HIS HN 3.61
&rst
ixpk= 0, nxpk= 0, iat=1364,1376, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 87 VAL HN 87 VAL HB 3.24
&rst
ixpk= 0, nxpk= 0, iat=1360,1364, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 87 VAL HN 87 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1366,1367,1368,
&end
#
# 87 VAL HN 87 VAL QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1370,1371,1372,
&end
#
# 87 VAL HN 87 VAL QQG 3.06
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1366,1367,1368,1370,1371,1372,
&end
#
# 87 VAL HN 88 HIS HN 3.17
&rst
ixpk= 0, nxpk= 0, iat=1360,1376, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 87 VAL HN 89 LYS HN 5.35
&rst
ixpk= 0, nxpk= 0, iat=1360,1393, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 87 VAL QG1 88 HIS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1366,1367,1368,
&end
#
# 87 VAL QG2 88 HIS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1370,1371,1372,
&end
#
# 87 VAL QQG 88 HIS HD2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1366,1367,1368,1370,1371,1372,
&end
#
# 87 VAL QQG 88 HIS HE1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1366,1367,1368,1370,1371,1372,
&end
#
# 87 VAL QQG 88 HIS HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1366,1367,1368,1370,1371,1372,
&end
#
# 88 HIS HB2 89 LYS HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1380,1393, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 88 HIS HB3 89 LYS HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1381,1393, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 88 HIS HN 88 HIS HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1376,1380, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 88 HIS HN 88 HIS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=1376,1381, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 88 HIS HN 88 HIS HD2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1376,1389, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 88 HIS HN 88 HIS QB 3.30
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1380,1381,
&end
#
# 88 HIS HN 89 LYS HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1376,1395, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 88 HIS HN 89 LYS HN 3.38
&rst
ixpk= 0, nxpk= 0, iat=1376,1393, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 88 HIS QB 88 HIS HD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1380,1381,
&end
#
# 88 HIS QB 89 LYS HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1380,1381,
&end
#
# 89 LYS HA 89 LYS HG2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1395,1400, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 89 LYS HA 89 LYS HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat=1395,1401, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 89 LYS HA 89 LYS QD 3.97
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1403,1404,
&end
#
# 89 LYS HA 89 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1406,1407,
&end
#
# 89 LYS HA 89 LYS QG 3.38
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1400,1401,
&end
#
# 89 LYS HN 89 LYS HG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1393,1400, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 89 LYS HN 89 LYS HG3 4.79
&rst
ixpk= 0, nxpk= 0, iat=1393,1401, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 89 LYS HN 89 LYS QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1397,1398,
&end
#
# 89 LYS HN 89 LYS QD 4.63
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1403,1404,
&end
#
# 89 LYS HN 89 LYS QG 4.21
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1400,1401,
&end
#
# 89 LYS HN 90 LYS HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=1393,1415, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 89 LYS QB 89 LYS QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1397,1398,
igr2=1403,1404,
&end
#
# 89 LYS QB 89 LYS QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1397,1398,
igr2=1406,1407,
&end
#
# 89 LYS QG 89 LYS QE 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1400,1401,
igr2=1406,1407,
&end
#
# 90 LYS HA 90 LYS QG 3.83
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1422,1423,
&end
#
# 90 LYS HA 91 ILE HN 3.48
&rst
ixpk= 0, nxpk= 0, iat=1417,1437, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 91 ILE HA 91 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1450,1451,1452,
&end
#
# 91 ILE HA 91 ILE QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1447,1448,
&end
#
# 91 ILE HA 91 ILE QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1443,1444,1445,
&end
#
# 91 ILE HA 92 LYS HN 3.25
&rst
ixpk= 0, nxpk= 0, iat=1439,1456, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 91 ILE HB 91 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1450,1451,1452,
&end
#
# 91 ILE HB 92 LYS HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=1441,1456, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 91 ILE HN 91 ILE HB 3.81
&rst
ixpk= 0, nxpk= 0, iat=1437,1441, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 91 ILE HN 91 ILE HG12 4.74
&rst
ixpk= 0, nxpk= 0, iat=1437,1447, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 91 ILE HN 91 ILE HG13 4.74
&rst
ixpk= 0, nxpk= 0, iat=1437,1448, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 91 ILE HN 91 ILE QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1447,1448,
&end
#
# 91 ILE HN 92 LYS HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=1437,1456, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 91 ILE QG1 92 LYS HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1447,1448,
&end
#
# 91 ILE QG2 91 ILE HG12 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1443,1444,1445,
&end
#
# 91 ILE QG2 91 ILE HG13 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1443,1444,1445,
&end
#
# 91 ILE QG2 91 ILE QG1 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1443,1444,1445,
igr2=1447,1448,
&end
#
# 91 ILE QG2 92 LYS HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1443,1444,1445,
&end
#
# 92 LYS HN 92 LYS QB 3.65
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1460,1461,
&end
#
# 92 LYS HN 92 LYS QG 4.62
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1463,1464,
&end
#
# 92 LYS QB 92 LYS QE 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1460,1461,
igr2=1469,1470,
&end
#
# 92 LYS QG 92 LYS QE 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1463,1464,
igr2=1469,1470,
&end
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