NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
479650 |
2rr4   |
11115 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 8 GLU- HA 9 ILE HN 2.87
&rst
ixpk= 0, nxpk= 0, iat= 71, 84, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 8 GLU- QB 9 ILE HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 73, 74,
&end
#
# 9 ILE HA 10 SER HN 3.23
&rst
ixpk= 0, nxpk= 0, iat= 86, 103, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 9 ILE HA 9 ILE HG12 4.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 94, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ILE HA 9 ILE HG13 4.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ILE HA 9 ILE QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 94, 95,
&end
#
# 9 ILE HA 9 ILE QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 90, 91, 92,
&end
#
# 9 ILE HN 9 ILE HB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 84, 88, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 9 ILE HN 9 ILE HG12 3.84
&rst
ixpk= 0, nxpk= 0, iat= 84, 94, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 9 ILE HN 9 ILE HG13 3.84
&rst
ixpk= 0, nxpk= 0, iat= 84, 95, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 9 ILE HN 9 ILE QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 90, 91, 92,
&end
#
# 9 ILE QG2 9 ILE QG1 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 90, 91, 92,
igr2= 94, 95,
&end
#
# 10 SER HN 10 SER HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 103, 107, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 SER HN 10 SER HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 103, 108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 SER HN 10 SER QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 107, 108,
&end
#
# 11 GLY HA2 12 PHE HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 116, 121, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 11 GLY HA3 12 PHE HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 11 GLY HN 12 PHE HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 114, 121, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 11 GLY QA 12 PHE HN 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 116, 117,
&end
#
# 12 PHE HA 12 PHE QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 129, 137,
&end
#
# 12 PHE HA 13 GLY HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 123, 141, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 12 PHE HB2 13 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 125, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 PHE HB3 13 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 PHE HN 12 PHE HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 121, 125, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 12 PHE HN 12 PHE HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 121, 126, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 12 PHE HN 12 PHE QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 125, 126,
&end
#
# 12 PHE HN 12 PHE QD 4.22
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 129, 137,
&end
#
# 12 PHE HN 13 GLY HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 121, 141, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 12 PHE QB 13 GLY HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 125, 126,
&end
#
# 13 GLY HN 14 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 141, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 GLY QA 14 GLN HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 143, 144,
&end
#
# 14 GLN HA 14 GLN HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 150, 155, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 14 GLN HA 14 GLN HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 150, 156, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 14 GLN HA 14 GLN QG 3.58
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 155, 156,
&end
#
# 14 GLN HA 15 CYS HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 150, 165, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 14 GLN HB2 15 CYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 152, 165, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 14 GLN HB3 15 CYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 14 GLN HG2 15 CYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HG3 15 CYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 156, 165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HN 14 GLN HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 14 GLN HN 14 GLN HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 14 GLN HN 14 GLN HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 148, 155, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 14 GLN HN 14 GLN HG3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 148, 156, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 14 GLN HN 14 GLN QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 152, 153,
&end
#
# 14 GLN HN 14 GLN QG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 155, 156,
&end
#
# 14 GLN QB 14 GLN QE2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 152, 153,
igr2= 160, 161,
&end
#
# 14 GLN QB 15 CYS HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 152, 153,
&end
#
# 15 CYS HB2 17 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 205, 206, 207,
&end
#
# 15 CYS HB3 17 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 205, 206, 207,
&end
#
# 16 LEU HA 16 LEU HG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 178, 183, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 16 LEU HA 16 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 185, 186, 187,
&end
#
# 16 LEU HA 16 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 189, 190, 191,
&end
#
# 16 LEU HA 16 LEU QQD 3.15
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU HA 17 VAL HB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 178, 199, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 16 LEU HA 17 VAL HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 178, 195, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 16 LEU HA 17 VAL QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 205, 206, 207,
&end
#
# 16 LEU HB2 16 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 185, 186, 187,
&end
#
# 16 LEU HB2 16 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 189, 190, 191,
&end
#
# 16 LEU HB2 17 VAL HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 180, 195, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 16 LEU HB2 18 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HB3 16 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 185, 186, 187,
&end
#
# 16 LEU HB3 16 LEU QD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 189, 190, 191,
&end
#
# 16 LEU HB3 17 VAL HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 181, 195, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 16 LEU HB3 18 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HG 17 VAL HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 183, 195, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 16 LEU HG 18 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 183, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HN 17 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 205, 206, 207,
&end
#
# 16 LEU QB 16 LEU QQD 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 180, 181,
igr2= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QB 17 VAL HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 180, 181,
&end
#
# 16 LEU QB 18 TRP HD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 180, 181,
&end
#
# 16 LEU QB 18 TRP HE1 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 180, 181,
&end
#
# 16 LEU QD1 17 VAL HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD1 18 TRP HD1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD1 18 TRP HE1 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD1 18 TRP HZ2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD1 31 ARG+ HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD1 31 ARG+ HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD1 77 ARG HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD1 77 ARG HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD1 77 ARG HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
&end
#
# 16 LEU QD2 17 VAL HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 189, 190, 191,
&end
#
# 16 LEU QD2 18 TRP HD1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 189, 190, 191,
&end
#
# 16 LEU QD2 18 TRP HE1 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 189, 190, 191,
&end
#
# 16 LEU QD2 18 TRP HZ2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 189, 190, 191,
&end
#
# 16 LEU QD2 31 ARG+ HD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 189, 190, 191,
&end
#
# 16 LEU QD2 31 ARG+ HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 189, 190, 191,
&end
#
# 16 LEU QD2 77 ARG HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 189, 190, 191,
&end
#
# 16 LEU QD2 77 ARG HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 189, 190, 191,
&end
#
# 16 LEU QD2 77 ARG HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 189, 190, 191,
&end
#
# 16 LEU QQD 17 VAL HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 18 TRP HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 18 TRP HD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 18 TRP HE1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 18 TRP HE3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 18 TRP HH2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 18 TRP HZ2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 31 ARG+ QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 185, 186, 187, 189, 190, 191,
igr2= 428, 429,
&end
#
# 16 LEU QQD 31 ARG+ QD 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 185, 186, 187, 189, 190, 191,
igr2= 434, 435,
&end
#
# 16 LEU QQD 31 ARG+ QG 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 185, 186, 187, 189, 190, 191,
igr2= 431, 432,
&end
#
# 16 LEU QQD 65 TRP HE3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 77 ARG+ HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 77 ARG+ HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 16 LEU QQD 77 ARG+ QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 185, 186, 187, 189, 190, 191,
igr2=1141,1142,
&end
#
# 16 LEU QQD 77 ARG+ QG 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 185, 186, 187, 189, 190, 191,
igr2=1144,1145,
&end
#
# 16 LEU QQD 78 LYS+ HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 185, 186, 187, 189, 190, 191,
&end
#
# 17 VAL HB 32 LEU HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 199, 452, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 17 VAL HB 32 LEU HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 199, 453, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 17 VAL HB 32 LEU HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 199, 448, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 17 VAL HB 32 LEU QD1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 457, 458, 459,
&end
#
# 17 VAL HN 17 VAL HB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 195, 199, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 17 VAL HN 17 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 201, 202, 203,
&end
#
# 17 VAL HN 17 VAL QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 205, 206, 207,
&end
#
# 17 VAL HN 32 LEU HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 195, 452, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 17 VAL QG1 18 TRP HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 18 TRP HD1 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 18 TRP HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 19 VAL QG1 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 201, 202, 203,
igr2= 241, 242, 243,
&end
#
# 17 VAL QG1 19 VAL QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 201, 202, 203,
igr2= 245, 246, 247,
&end
#
# 17 VAL QG1 32 LEU HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 32 LEU HG 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 32 LEU HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 32 LEU QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 201, 202, 203,
igr2= 457, 458, 459,
&end
#
# 17 VAL QG1 38 PRO HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 38 PRO HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 38 PRO HD2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 38 PRO HD3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 38 PRO HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 38 PRO HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 72 THR HB 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 73 M3L HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 74 GLN HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 201, 202, 203,
&end
#
# 17 VAL QG1 74 GLN QG 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 201, 202, 203,
igr2=1103,1104,
&end
#
# 17 VAL QG2 18 TRP HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 32 LEU HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 32 LEU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 32 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 205, 206, 207,
igr2= 457, 458, 459,
&end
#
# 17 VAL QG2 38 PRO HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 38 PRO HD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 38 PRO HD3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 74 GLN HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 74 GLN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 74 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 74 GLN HE21 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 74 GLN HE22 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 205, 206, 207,
&end
#
# 17 VAL QG2 74 GLN QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 205, 206, 207,
igr2=1100,1101,
&end
#
# 17 VAL QG2 74 GLN QE2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 205, 206, 207,
igr2=1108,1109,
&end
#
# 17 VAL QG2 74 GLN QG 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 205, 206, 207,
igr2=1103,1104,
&end
#
# 18 TRP HA 18 TRP HD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 213, 219, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 18 TRP HA 18 TRP HE3 4.26
&rst
ixpk= 0, nxpk= 0, iat= 213, 230, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 18 TRP HA 19 VAL HN 3.19
&rst
ixpk= 0, nxpk= 0, iat= 213, 235, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 18 TRP HA 19 VAL QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 241, 242, 243,
&end
#
# 18 TRP HA 19 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 245, 246, 247,
&end
#
# 18 TRP HA 29 TRP HE3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 213, 395, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 18 TRP HA 30 ARG+ HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 213, 400, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 18 TRP HA 31 ARG+ HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= 213, 426, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 18 TRP HA 32 LEU HG 4.28
&rst
ixpk= 0, nxpk= 0, iat= 213, 455, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 18 TRP HA 32 LEU HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 213, 448, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 18 TRP HA 32 LEU QD2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 461, 462, 463,
&end
#
# 18 TRP HB2 19 VAL HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 215, 235, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 18 TRP HB2 29 TRP HE3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 215, 395, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 18 TRP HB2 73 M3L HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 215,1070, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 18 TRP HB2 73 M3L HE3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 215,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 18 TRP HB2 73 M3L HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 215,1072, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 18 TRP HB2 73 M3L HG3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 215,1073, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 18 TRP HB2 73 M3L HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 215,1065, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 18 TRP HB2 73 M3L QG 4.09
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1072,1073,
&end
#
# 18 TRP HB2 73 M3L QQM 5.50
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 18 TRP HB3 18 TRP HE3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 216, 230, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 18 TRP HB3 19 VAL HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 216, 235, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 18 TRP HB3 29 TRP HE3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 216, 395, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 18 TRP HB3 30 ARG+ HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 216, 400, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 18 TRP HB3 73 M3L HE2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 216,1078, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 18 TRP HB3 73 M3L HG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 216,1072, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 18 TRP HB3 73 M3L HG3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 216,1073, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 18 TRP HB3 73 M3L HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 216,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TRP HB3 73 M3L QG 4.08
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1072,1073,
&end
#
# 18 TRP HB3 73 M3L QQM 5.10
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 18 TRP HD1 73 M3L HE2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 219,1078, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 18 TRP HD1 73 M3L HE3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 219,1079, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 18 TRP HD1 73 M3L HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HD1 73 M3L HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HD1 73 M3L HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 TRP HD1 73 M3L QG 4.61
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1072,1073,
&end
#
# 18 TRP HD1 73 M3L QQM 5.05
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 18 TRP HD1 74 GLN HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 219,1098, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 18 TRP HD1 75 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HD1 75 THR HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 219,1113, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 18 TRP HE1 75 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1119,1120,1121,
&end
#
# 18 TRP HE3 19 VAL HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 18 TRP HE3 29 TRP HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 230, 378, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 18 TRP HE3 29 TRP HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 230, 380, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 18 TRP HE3 29 TRP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 381, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 TRP HE3 29 TRP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TRP HE3 30 ARG+ HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 230, 402, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 18 TRP HE3 30 ARG+ HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 230, 400, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 18 TRP HE3 31 ARG+ HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 230, 426, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 18 TRP HE3 31 ARG+ QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 431, 432,
&end
#
# 18 TRP HE3 73 M3L HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 230,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HE3 73 M3L QG 5.35
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1072,1073,
&end
#
# 18 TRP HE3 73 M3L QQM 4.93
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 18 TRP HH2 31 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HH2 31 ARG+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HH2 31 ARG+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HH2 31 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HH2 31 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HH2 31 ARG+ QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 434, 435,
&end
#
# 18 TRP HH2 63 GLU- QB 4.38
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 910, 911,
&end
#
# 18 TRP HH2 63 GLU- QG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 913, 914,
&end
#
# 18 TRP HH2 65 TRP QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 939, 940,
&end
#
# 18 TRP HH2 73 M3L QQM 5.09
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 18 TRP HZ2 31 ARG+ HD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 224, 434, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 18 TRP HZ2 31 ARG+ HD3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 224, 435, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 18 TRP HZ2 31 ARG+ QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 434, 435,
&end
#
# 18 TRP HZ2 65 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HZ2 65 TRP HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 224, 939, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 18 TRP HZ2 65 TRP HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 224, 940, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 18 TRP HZ2 65 TRP HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 224, 954, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TRP HZ2 65 TRP QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 939, 940,
&end
#
# 18 TRP HZ2 73 M3L QQM 4.87
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 18 TRP HZ3 29 TRP HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 228, 380, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 18 TRP HZ3 29 TRP HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 228, 381, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 18 TRP HZ3 30 ARG+ HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 228, 402, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 18 TRP HZ3 31 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 228, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HZ3 31 ARG+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 228, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HZ3 31 ARG+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 228, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HZ3 31 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 228, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HZ3 31 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 228, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 TRP HZ3 63 GLU- HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 228, 910, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 TRP HZ3 63 GLU- HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 228, 911, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 TRP HZ3 63 GLU- QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 910, 911,
&end
#
# 18 TRP HZ3 63 GLU- QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 913, 914,
&end
#
# 18 TRP HZ3 73 M3L QQM 5.50
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 19 VAL HA 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 19 VAL HA 72 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1057,1058,1059,
&end
#
# 19 VAL HA 73 M3L HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 VAL HB 20 GLN HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 239, 251, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 19 VAL HB 29 TRP HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL HB 32 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 457, 458, 459,
&end
#
# 19 VAL HB 32 LEU QD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 461, 462, 463,
&end
#
# 19 VAL HB 41 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 580, 581, 582,
&end
#
# 19 VAL HB 41 LEU QD2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 584, 585, 586,
&end
#
# 19 VAL HB 45 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL HB 45 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL HB 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 19 VAL HB 72 THR HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 239,1053, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 19 VAL HN 19 VAL QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 241, 242, 243,
&end
#
# 19 VAL HN 19 VAL QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 245, 246, 247,
&end
#
# 19 VAL HN 29 TRP HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 235, 378, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 19 VAL HN 29 TRP HE3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 235, 395, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 19 VAL HN 30 ARG+ HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 235, 400, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 19 VAL HN 31 ARG+ HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 235, 426, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 19 VAL HN 32 LEU HG 5.21
&rst
ixpk= 0, nxpk= 0, iat= 235, 455, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 19 VAL HN 32 LEU QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 457, 458, 459,
&end
#
# 19 VAL QG1 20 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 20 GLN HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 30 ARG+ HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 32 LEU HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 32 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 32 LEU HG 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 32 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 241, 242, 243,
igr2= 457, 458, 459,
&end
#
# 19 VAL QG1 32 LEU QD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 241, 242, 243,
igr2= 461, 462, 463,
&end
#
# 19 VAL QG1 38 PRO HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 41 LEU HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 41 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 241, 242, 243,
igr2= 580, 581, 582,
&end
#
# 19 VAL QG1 41 LEU QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 241, 242, 243,
igr2= 584, 585, 586,
&end
#
# 19 VAL QG1 45 TRP HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 45 TRP HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 45 TRP HD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 45 TRP HE3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 45 TRP HH2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 45 TRP HZ2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 45 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 70 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 241, 242, 243,
igr2=1021,1022,1023,
&end
#
# 19 VAL QG1 72 THR HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 72 THR HB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 241, 242, 243,
&end
#
# 19 VAL QG1 72 THR QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 241, 242, 243,
igr2=1057,1058,1059,
&end
#
# 19 VAL QG2 20 GLN HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 30 ARG+ HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 30 ARG+ HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 32 LEU HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 32 LEU HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 32 LEU HG 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 32 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 245, 246, 247,
igr2= 457, 458, 459,
&end
#
# 19 VAL QG2 32 LEU QD2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 245, 246, 247,
igr2= 461, 462, 463,
&end
#
# 19 VAL QG2 41 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 245, 246, 247,
igr2= 584, 585, 586,
&end
#
# 19 VAL QG2 45 TRP HE3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 45 TRP HH2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 45 TRP HZ2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 245, 246, 247,
&end
#
# 19 VAL QG2 45 TRP HZ3 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 245, 246, 247,
&end
#
# 20 GLN HA 20 GLN HG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 253, 258, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 20 GLN HA 20 GLN HG3 3.47
&rst
ixpk= 0, nxpk= 0, iat= 253, 259, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 20 GLN HA 21 CYM HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 253, 273, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 20 GLN HA 21 CYM HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 253, 272, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 20 GLN HA 21 CYM HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= 253, 268, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 20 GLN HA 29 TRP HA 3.16
&rst
ixpk= 0, nxpk= 0, iat= 253, 378, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 20 GLN HA 29 TRP HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 253, 381, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 GLN HA 29 TRP HE3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 253, 395, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 20 GLN HA 29 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 253, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLN HA 30 ARG+ HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= 253, 400, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 20 GLN HB2 71 ARG HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 255,1037, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLN HE21 27 GLY HA2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 263, 349, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 20 GLN HE21 27 GLY HA3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 263, 350, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 20 GLN HE22 27 GLY HA2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 264, 349, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 20 GLN HE22 27 GLY HA3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 264, 350, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 20 GLN HG2 21 CYM HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 20 GLN HG2 27 GLY HA2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 258, 349, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 20 GLN HG2 27 GLY HA3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 258, 350, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 20 GLN HG2 27 GLY HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 258, 347, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 20 GLN HG2 29 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 258, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLN HG2 29 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 258, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLN HG3 20 GLN HE21 3.79
&rst
ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 20 GLN HG3 20 GLN HE22 3.79
&rst
ixpk= 0, nxpk= 0, iat= 259, 264, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 20 GLN HG3 21 CYM HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 259, 273, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 20 GLN HG3 21 CYM HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 259, 272, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 20 GLN HG3 21 CYM HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 259, 268, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 20 GLN HG3 27 GLY HA2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 259, 349, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 20 GLN HG3 27 GLY HA3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 259, 350, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 20 GLN HG3 27 GLY HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 259, 347, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 20 GLN HG3 28 LYS+ HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 259, 354, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 20 GLN HG3 29 TRP HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 259, 378, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 20 GLN HG3 29 TRP HD1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 259, 384, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 20 GLN HG3 29 TRP HZ2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 259, 389, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 20 GLN HN 20 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 251, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLN HN 20 GLN HG3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 251, 259, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 20 GLN HN 20 GLN QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 255, 256,
&end
#
# 20 GLN HN 29 TRP HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 251, 378, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 20 GLN HN 29 TRP HE3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 251, 395, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 20 GLN HN 29 TRP HZ3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 251, 393, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 20 GLN HN 70 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1021,1022,1023,
&end
#
# 20 GLN HN 71 ARG+ HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 251,1032, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 20 GLN HN 72 THR HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 251,1053, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 20 GLN HN 72 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1057,1058,1059,
&end
#
# 20 GLN QB 20 GLN QE2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 255, 256,
igr2= 263, 264,
&end
#
# 20 GLN QB 21 CYM HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 255, 256,
&end
#
# 20 GLN QB 29 TRP HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 255, 256,
&end
#
# 20 GLN QB 29 TRP HE3 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 255, 256,
&end
#
# 20 GLN QB 29 TRP HZ2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 255, 256,
&end
#
# 20 GLN QB 29 TRP HZ3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 255, 256,
&end
#
# 20 GLN QB 71 ARG+ HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 255, 256,
&end
#
# 20 GLN QE2 27 GLY HA3 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 263, 264,
&end
#
# 20 GLN QE2 29 TRP HE1 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 263, 264,
&end
#
# 20 GLN QE2 29 TRP HZ2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 263, 264,
&end
#
# 21 CYM HA 22 SER HN 2.87
&rst
ixpk= 0, nxpk= 0, iat= 270, 278, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 21 CYM HA 45 TRP HE3 3.13
&rst
ixpk= 0, nxpk= 0, iat= 270, 649, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 21 CYM HA 45 TRP HZ3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 270, 647, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 21 CYM HA 46 SER HA 3.19
&rst
ixpk= 0, nxpk= 0, iat= 270, 656, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 21 CYM HA 46 SER HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 270, 658, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 21 CYM HA 46 SER HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 270, 659, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 21 CYM HA 46 SER HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 270, 654, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 21 CYM HA 46 SER QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 658, 659,
&end
#
# 21 CYM HA 47 CYM HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 270, 665, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 21 CYM HB2 27 GLY HA2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 273, 349, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 21 CYM HB2 27 GLY HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 273, 347, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 21 CYM HB2 28 LYS+ HB2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 273, 358, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 21 CYM HB2 28 LYS+ HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 273, 362, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 CYM HB2 28 LYS+ HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 273, 354, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 21 CYM HB2 45 TRP HE3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 273, 649, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 21 CYM HB2 45 TRP HZ3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 273, 647, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 21 CYM HB2 46 SER HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 273, 656, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 CYM HB2 47 CYM HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 273, 665, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 CYM HB3 22 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 CYM HB3 23 PHE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 CYM HB3 27 GLY HA2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 272, 349, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 21 CYM HB3 27 GLY HA3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 272, 350, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 21 CYM HB3 27 GLY HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 272, 347, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 21 CYM HB3 28 LYS+ HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 272, 358, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 21 CYM HB3 28 LYS+ HG3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 272, 362, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 21 CYM HB3 28 LYS+ HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 272, 354, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 21 CYM HB3 45 TRP HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 CYM HB3 45 TRP HZ3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 272, 647, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 21 CYM HB3 46 SER HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 272, 656, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 21 CYM HB3 47 CYM HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 272, 665, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 21 CYM HN 21 CYM HB2 3.16
&rst
ixpk= 0, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 21 CYM HN 21 CYM HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 21 CYM HN 27 GLY HA2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 268, 349, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 21 CYM HN 27 GLY HA3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 268, 350, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 21 CYM HN 27 GLY HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 268, 347, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 21 CYM HN 28 LYS+ HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 268, 354, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 CYM HN 29 TRP HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= 268, 378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 21 CYM HN 45 TRP HE3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 268, 649, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 21 CYM HN 45 TRP HZ3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 268, 647, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 22 SER HA 22 SER HB2 2.90
&rst
ixpk= 0, nxpk= 0, iat= 280, 282, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 22 SER HA 22 SER HB3 2.90
&rst
ixpk= 0, nxpk= 0, iat= 280, 283, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 22 SER HA 44 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 280, 618, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 22 SER HA 46 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 658, 659,
&end
#
# 22 SER HB2 23 PHE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 282, 289, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 22 SER HB2 44 ASN HA 3.34
&rst
ixpk= 0, nxpk= 0, iat= 282, 618, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 22 SER HB2 70 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1021,1022,1023,
&end
#
# 22 SER HB3 23 PHE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 283, 289, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 22 SER HB3 44 ASN HA 3.34
&rst
ixpk= 0, nxpk= 0, iat= 283, 618, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 22 SER HN 22 SER HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 22 SER HN 22 SER HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 22 SER HN 22 SER QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 282, 283,
&end
#
# 22 SER HN 23 PHE HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 278, 289, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 22 SER HN 45 TRP HE3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 278, 649, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 22 SER HN 45 TRP HZ3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 278, 647, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 22 SER HN 46 SER HA 3.36
&rst
ixpk= 0, nxpk= 0, iat= 278, 656, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 22 SER HN 46 SER HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 278, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 SER HN 46 SER HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 278, 659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 SER HN 46 SER QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 658, 659,
&end
#
# 22 SER HN 47 CYM HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 278, 665, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 22 SER QB 23 PHE HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 282, 283,
&end
#
# 22 SER QB 44 ASN HA 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 282, 283,
&end
#
# 22 SER QB 44 ASN QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 282, 283,
igr2= 620, 621,
&end
#
# 22 SER QB 46 SER QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 282, 283,
igr2= 658, 659,
&end
#
# 23 PHE HA 23 PHE QD 3.31
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 297, 305,
&end
#
# 23 PHE HA 24 PRO HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 291, 319, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 23 PHE HA 24 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 291, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PHE HA 24 PRO HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 291, 317, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 23 PHE HA 24 PRO HD2 2.68
&rst
ixpk= 0, nxpk= 0, iat= 291, 310, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 23 PHE HA 24 PRO HD3 2.84
&rst
ixpk= 0, nxpk= 0, iat= 291, 311, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 23 PHE HA 24 PRO HG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 291, 313, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 23 PHE HA 24 PRO HG3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 291, 314, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 23 PHE HA 26 CYM HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 291, 342, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 23 PHE HA 26 CYM HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 291, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PHE HB2 24 PRO HD2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 293, 310, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 23 PHE HB2 24 PRO HD3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 293, 311, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 23 PHE HB2 25 ASN HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 293, 323, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 23 PHE HB2 25 ASN QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 332, 333,
&end
#
# 23 PHE HB2 26 CYM HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 293, 342, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 PHE HB2 26 CYM HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 293, 337, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 23 PHE HB2 27 GLY HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 293, 347, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 23 PHE HB3 24 PRO HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 294, 310, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 23 PHE HB3 24 PRO HD3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 294, 311, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 23 PHE HB3 25 ASN HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 294, 323, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 23 PHE HB3 26 CYM HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 294, 342, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 23 PHE HB3 26 CYM HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 294, 337, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 23 PHE HN 23 PHE HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 23 PHE HN 23 PHE HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 23 PHE HN 23 PHE QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 297, 305,
&end
#
# 23 PHE HN 23 PHE QE 4.60
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 299, 303,
&end
#
# 23 PHE HN 24 PRO HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 289, 310, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 23 PHE HN 24 PRO HD3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 289, 311, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 23 PHE HN 26 CYM HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 289, 342, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 PHE HN 26 CYM HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat= 289, 341, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 23 PHE HN 26 CYM HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 289, 337, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 23 PHE HN 27 GLY HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 289, 347, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 23 PHE HN 46 SER HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 289, 656, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 23 PHE HN 46 SER HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 289, 658, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 23 PHE HN 46 SER HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 289, 659, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 23 PHE HN 46 SER QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 658, 659,
&end
#
# 23 PHE HZ 46 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PHE HZ 46 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 PHE QD 24 PRO HD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 297, 305,
&end
#
# 23 PHE QD 24 PRO HD3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 297, 305,
&end
#
# 23 PHE QD 24 PRO HG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 297, 305,
&end
#
# 23 PHE QD 26 CYM HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 297, 305,
&end
#
# 23 PHE QD 46 SER HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 297, 305,
&end
#
# 23 PHE QD 46 SER HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 297, 305,
&end
#
# 23 PHE QD 46 SER HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 297, 305,
&end
#
# 23 PHE QD 46 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= 297, 305,
igr2= 658, 659,
&end
#
# 23 PHE QD 47 CYM HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 297, 305,
&end
#
# 23 PHE QD 48 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 297, 305,
&end
#
# 23 PHE QE 58 CYM HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 299, 303,
&end
#
# 24 PRO HA 25 ASN HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 319, 325, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 24 PRO HA 26 CYM HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 319, 337, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 24 PRO HA 27 GLY HA3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 319, 350, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 24 PRO HA 27 GLY HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 319, 347, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 24 PRO HB2 25 ASN HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 316, 325, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 24 PRO HB2 25 ASN HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 24 PRO HB3 25 ASN HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 317, 323, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 24 PRO HD2 25 ASN HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 310, 323, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 PRO HD2 26 CYM HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 PRO HD2 26 CYM HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 310, 337, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 24 PRO HD3 25 ASN HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 311, 323, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 24 PRO HG2 25 ASN HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 313, 323, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 24 PRO HG2 25 ASN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 327, 328,
&end
#
# 24 PRO HG2 26 CYM HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 313, 337, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 25 ASN HA 25 ASN HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 ASN HA 25 ASN HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 328, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 ASN HA 26 CYM HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 325, 337, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 25 ASN HB2 26 CYM HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 ASN HB3 26 CYM HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 328, 337, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 ASN HN 25 ASN HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 323, 327, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 ASN HN 25 ASN HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 323, 328, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 ASN HN 25 ASN HD21 4.61
&rst
ixpk= 0, nxpk= 0, iat= 323, 332, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 25 ASN HN 25 ASN HD22 4.61
&rst
ixpk= 0, nxpk= 0, iat= 323, 333, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 25 ASN HN 25 ASN QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 332, 333,
&end
#
# 25 ASN HN 26 CYM HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= 323, 337, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 25 ASN HN 27 GLY HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 323, 347, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 25 ASN QB 25 ASN QD2 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 327, 328,
igr2= 332, 333,
&end
#
# 25 ASN QB 26 CYM HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 327, 328,
&end
#
# 26 CYM HB2 27 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYM HB2 27 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYM HB2 27 GLY HN 3.18
&rst
ixpk= 0, nxpk= 0, iat= 342, 347, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 26 CYM HB2 28 LYS+ HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 342, 354, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 26 CYM HB3 27 GLY HA2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 341, 349, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 CYM HB3 27 GLY HA3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 341, 350, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 26 CYM HB3 27 GLY HN 2.92
&rst
ixpk= 0, nxpk= 0, iat= 341, 347, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 26 CYM HB3 28 LYS+ HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 341, 356, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 26 CYM HB3 28 LYS+ HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 341, 362, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 26 CYM HB3 28 LYS+ HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 341, 354, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 26 CYM HN 26 CYM HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 26 CYM HN 26 CYM HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 26 CYM HN 27 GLY HA2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 337, 349, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 26 CYM HN 27 GLY HA3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 337, 350, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 26 CYM HN 27 GLY HN 3.07
&rst
ixpk= 0, nxpk= 0, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 26 CYM HN 28 LYS+ HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 337, 354, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 27 GLY HN 28 LYS+ HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 347, 362, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 27 GLY HN 28 LYS+ HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 347, 354, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 28 LYS+ HA 28 LYS+ HD3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 356, 365, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 28 LYS+ HA 28 LYS+ HG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 356, 361, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 28 LYS+ HA 28 LYS+ HG3 3.28
&rst
ixpk= 0, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 28 LYS+ HA 29 TRP HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 356, 380, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 28 LYS+ HA 29 TRP HD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 356, 384, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 28 LYS+ HA 29 TRP HN 2.84
&rst
ixpk= 0, nxpk= 0, iat= 356, 376, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 28 LYS+ HA 62 GLU- HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 356, 895, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 28 LYS+ HA 62 GLU- HG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 356, 898, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 28 LYS+ HA 62 GLU- HG3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 356, 899, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 28 LYS+ HA 62 GLU- QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 898, 899,
&end
#
# 28 LYS+ HB2 28 LYS+ HD2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 358, 364, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 28 LYS+ HB2 29 TRP HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 358, 378, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 28 LYS+ HB2 58 CYM HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 358, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS+ HB3 28 LYS+ HD3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 359, 365, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 28 LYS+ HB3 28 LYS+ HE2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 359, 367, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 28 LYS+ HB3 28 LYS+ HE3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 359, 368, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 28 LYS+ HB3 29 TRP HD1 5.49
&rst
ixpk= 0, nxpk= 0, iat= 359, 384, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 28 LYS+ HB3 29 TRP HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 359, 376, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 28 LYS+ HB3 30 ARG+ HD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 359, 410, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 28 LYS+ HB3 30 ARG+ HD3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 359, 411, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 28 LYS+ HB3 62 GLU- HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= 359, 893, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 28 LYS+ HB3 62 GLU- HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 359, 895, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 28 LYS+ HB3 62 GLU- HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 359, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 28 LYS+ HB3 62 GLU- HG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 359, 898, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 28 LYS+ HB3 62 GLU- HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 359, 899, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 28 LYS+ HD2 30 ARG+ HH21 5.15
&rst
ixpk= 0, nxpk= 0, iat= 364, 419, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 28 LYS+ HD2 30 ARG+ HH22 5.32
&rst
ixpk= 0, nxpk= 0, iat= 364, 420, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 28 LYS+ HD2 58 CYM HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 364, 838, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 28 LYS+ HD2 60 ILE HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 364, 858, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 28 LYS+ HD3 29 TRP HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 365, 376, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 28 LYS+ HD3 30 ARG+ HH11 4.34
&rst
ixpk= 0, nxpk= 0, iat= 365, 416, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 28 LYS+ HD3 30 ARG+ HH12 4.28
&rst
ixpk= 0, nxpk= 0, iat= 365, 417, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 28 LYS+ HD3 30 ARG+ HH21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS+ HD3 30 ARG+ HH22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS+ HD3 61 PRO HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= 365, 887, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 28 LYS+ HD3 62 GLU- HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 365, 893, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 LYS+ HD3 62 GLU- HB3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 365, 896, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 28 LYS+ HD3 62 GLU- HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 365, 898, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 28 LYS+ HD3 62 GLU- HG3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 365, 899, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 28 LYS+ HD3 62 GLU- HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 365, 891, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 28 LYS+ HD3 62 GLU- QG 3.88
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 898, 899,
&end
#
# 28 LYS+ HE2 30 ARG+ HH11 5.50
&rst
ixpk= 0, nxpk= 0, iat= 367, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS+ HE2 30 ARG+ HH12 5.00
&rst
ixpk= 0, nxpk= 0, iat= 367, 417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LYS+ HE2 60 ILE HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 367, 858, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 28 LYS+ HE2 61 PRO HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 367, 887, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 LYS+ HE2 61 PRO QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 884, 885,
&end
#
# 28 LYS+ HE2 62 GLU- HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 367, 891, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 28 LYS+ HE3 30 ARG+ HH11 5.50
&rst
ixpk= 0, nxpk= 0, iat= 368, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS+ HE3 30 ARG+ HH12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 368, 417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS+ HE3 61 PRO HA 3.38
&rst
ixpk= 0, nxpk= 0, iat= 368, 887, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 28 LYS+ HE3 62 GLU- HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 368, 895, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 28 LYS+ HE3 62 GLU- HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 368, 896, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 28 LYS+ HE3 62 GLU- HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 368, 891, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 28 LYS+ HG2 28 LYS+ HE2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 361, 367, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 28 LYS+ HG2 28 LYS+ HE3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 361, 368, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 28 LYS+ HG2 29 TRP HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 361, 376, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 28 LYS+ HG2 62 GLU- HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 361, 893, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 28 LYS+ HG2 62 GLU- HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 361, 895, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 28 LYS+ HG2 62 GLU- HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 361, 896, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 LYS+ HG2 62 GLU- HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 361, 898, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 28 LYS+ HG2 62 GLU- HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 361, 899, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 28 LYS+ HG2 62 GLU- HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 361, 891, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 28 LYS+ HG2 62 GLU- QG 3.81
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 898, 899,
&end
#
# 28 LYS+ HG3 28 LYS+ HE2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 362, 367, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 28 LYS+ HG3 28 LYS+ HE3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 362, 368, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 28 LYS+ HG3 29 TRP HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 362, 376, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 28 LYS+ HG3 62 GLU- QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 898, 899,
&end
#
# 28 LYS+ HN 28 LYS+ HB2 3.03
&rst
ixpk= 0, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 28 LYS+ HN 28 LYS+ HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 354, 359, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 LYS+ HN 28 LYS+ HD2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 354, 364, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 28 LYS+ HN 28 LYS+ HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 28 LYS+ HN 28 LYS+ HG3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 28 LYS+ HN 29 TRP HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 354, 376, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 29 TRP HA 29 TRP HD1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 378, 384, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 29 TRP HA 29 TRP HE3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 378, 395, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 29 TRP HA 30 ARG+ HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 378, 404, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 29 TRP HA 30 ARG+ HN 3.07
&rst
ixpk= 0, nxpk= 0, iat= 378, 400, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 29 TRP HA 45 TRP HH2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TRP HB2 29 TRP HD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= 380, 384, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 29 TRP HB2 29 TRP HE3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 380, 395, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 29 TRP HB2 30 ARG+ HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 380, 400, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 29 TRP HB2 73 M3L QQM 3.81
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 29 TRP HB3 30 ARG+ HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 29 TRP HB3 73 M3L HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 381,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TRP HB3 73 M3L QQM 4.69
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 29 TRP HD1 73 M3L QQM 4.03
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 29 TRP HE1 73 M3L QQM 5.45
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 29 TRP HE3 30 ARG+ HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 29 TRP HE3 72 THR HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 395,1053, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 29 TRP HE3 73 M3L HE2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 395,1078, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 29 TRP HE3 73 M3L HG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 395,1072, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 29 TRP HE3 73 M3L HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 395,1073, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 29 TRP HE3 73 M3L HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 395,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TRP HE3 73 M3L QG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1072,1073,
&end
#
# 29 TRP HE3 73 M3L QQM 4.86
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 29 TRP HN 29 TRP HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 29 TRP HN 29 TRP HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 TRP HN 29 TRP HD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 376, 384, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 29 TRP HN 30 ARG+ HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 376, 400, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 29 TRP HN 62 GLU- HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 376, 895, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 29 TRP HN 62 GLU- HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 376, 898, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 29 TRP HN 62 GLU- HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 376, 899, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 29 TRP HN 62 GLU- QG 3.42
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 898, 899,
&end
#
# 29 TRP HZ2 71 ARG HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 389,1031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TRP HZ2 71 ARG+ HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= 389,1032, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 29 TRP HZ2 71 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TRP HZ2 71 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TRP HZ2 71 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TRP HZ2 71 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TRP HZ2 73 M3L HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389,1069, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TRP HZ2 73 M3L QQM 4.50
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 29 TRP HZ3 72 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 393,1053, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 TRP HZ3 72 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 393,1055, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TRP HZ3 73 M3L HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 393,1065, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 29 TRP HZ3 73 M3L QG 5.08
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1072,1073,
&end
#
# 30 ARG+ HA 30 ARG+ HD2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 402, 410, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 30 ARG+ HA 30 ARG+ HD3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 402, 411, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 30 ARG+ HB2 30 ARG+ HD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 404, 410, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 30 ARG+ HB2 32 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 461, 462, 463,
&end
#
# 30 ARG+ HB2 45 TRP HH2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 404, 645, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 30 ARG+ HB2 45 TRP HZ2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 404, 643, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 30 ARG+ HB2 45 TRP HZ3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 404, 647, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 30 ARG+ HB2 50 ASN HD21 5.12
&rst
ixpk= 0, nxpk= 0, iat= 404, 713, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 30 ARG+ HB2 50 ASN HD22 5.12
&rst
ixpk= 0, nxpk= 0, iat= 404, 714, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 30 ARG+ HB2 50 ASN QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 713, 714,
&end
#
# 30 ARG+ HB3 30 ARG+ HD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 405, 410, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 30 ARG+ HB3 30 ARG+ HD3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 405, 411, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 30 ARG+ HB3 32 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 461, 462, 463,
&end
#
# 30 ARG+ HB3 45 TRP HH2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 405, 645, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 30 ARG+ HB3 45 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 405, 647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG+ HB3 50 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 405, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG+ HB3 50 ASN HD21 4.92
&rst
ixpk= 0, nxpk= 0, iat= 405, 713, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 30 ARG+ HB3 50 ASN HD22 4.92
&rst
ixpk= 0, nxpk= 0, iat= 405, 714, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 30 ARG+ HB3 55 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 405, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG+ HD2 30 ARG+ HH22 4.98
&rst
ixpk= 0, nxpk= 0, iat= 410, 420, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 30 ARG+ HD2 45 TRP HH2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 410, 645, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 30 ARG+ HD2 50 ASN QD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 713, 714,
&end
#
# 30 ARG+ HD2 55 TYR HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 410, 781, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 30 ARG+ HD2 55 TYR HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat= 410, 782, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 30 ARG+ HD2 55 TYR QD 4.22
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 785, 794,
&end
#
# 30 ARG+ HD2 55 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 787, 792,
&end
#
# 30 ARG+ HD2 60 ILE QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 864, 865, 866,
&end
#
# 30 ARG+ HD2 62 GLU- HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 410, 893, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 30 ARG+ HD3 30 ARG+ HH12 4.76
&rst
ixpk= 0, nxpk= 0, iat= 411, 417, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 30 ARG+ HD3 30 ARG+ HH21 4.45
&rst
ixpk= 0, nxpk= 0, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 30 ARG+ HD3 30 ARG+ HH22 4.85
&rst
ixpk= 0, nxpk= 0, iat= 411, 420, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 30 ARG+ HD3 45 TRP HH2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 411, 645, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 30 ARG+ HD3 55 TYR HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 411, 781, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 30 ARG+ HD3 55 TYR HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 411, 782, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 30 ARG+ HD3 55 TYR QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 785, 794,
&end
#
# 30 ARG+ HD3 62 GLU- HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 411, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ARG+ HE 45 TRP HH2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 413, 645, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 30 ARG+ HE 45 TRP HZ3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 413, 647, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 30 ARG+ HG2 30 ARG+ HE 4.10
&rst
ixpk= 0, nxpk= 0, iat= 407, 413, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 ARG+ HG2 45 TRP HH2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 407, 645, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 30 ARG+ HG2 45 TRP HZ3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 407, 647, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 30 ARG+ HG2 50 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG+ HG3 30 ARG+ HE 4.10
&rst
ixpk= 0, nxpk= 0, iat= 408, 413, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 ARG+ HG3 45 TRP HH2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 408, 645, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 30 ARG+ HG3 45 TRP HZ3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 408, 647, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 30 ARG+ HG3 50 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 408, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG+ HH12 55 TYR HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 417, 782, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 30 ARG+ HH12 55 TYR QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 785, 794,
&end
#
# 30 ARG+ HH12 60 ILE HB 4.20
&rst
ixpk= 0, nxpk= 0, iat= 417, 862, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 ARG+ HH12 60 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 864, 865, 866,
&end
#
# 30 ARG+ HH22 55 TYR HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 420, 782, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 30 ARG+ HH22 55 TYR QD 4.11
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 785, 794,
&end
#
# 30 ARG+ HH22 60 ILE HB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 420, 862, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 30 ARG+ HH22 60 ILE HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 420, 858, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 30 ARG+ HH22 60 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 864, 865, 866,
&end
#
# 30 ARG+ HH22 62 GLU- HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 420, 893, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 ARG+ HN 30 ARG+ HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 30 ARG+ HN 30 ARG+ HD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 400, 410, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 30 ARG+ HN 30 ARG+ HD3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 30 ARG+ HN 30 ARG+ HG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 30 ARG+ HN 30 ARG+ HG3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 400, 408, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 30 ARG+ HN 30 ARG+ QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 407, 408,
&end
#
# 30 ARG+ HN 32 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 461, 462, 463,
&end
#
# 30 ARG+ HN 45 TRP HH2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 400, 645, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 30 ARG+ QG 30 ARG+ HE 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 407, 408,
&end
#
# 30 ARG+ QG 45 TRP HH2 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 407, 408,
&end
#
# 30 ARG+ QG 45 TRP HZ2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 407, 408,
&end
#
# 30 ARG+ QG 45 TRP HZ3 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 407, 408,
&end
#
# 30 ARG+ QG 47 CYM HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 407, 408,
&end
#
# 30 ARG+ QG 50 ASN HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 407, 408,
&end
#
# 30 ARG+ QG 50 ASN QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 407, 408,
igr2= 713, 714,
&end
#
# 31 ARG+ HA 32 LEU HG 4.55
&rst
ixpk= 0, nxpk= 0, iat= 426, 455, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 31 ARG+ HA 32 LEU HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= 426, 448, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 31 ARG+ HG2 32 LEU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 431, 448, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 ARG+ HG3 32 LEU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 ARG+ HN 31 ARG+ HG2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 424, 431, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 31 ARG+ HN 31 ARG+ HG3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 424, 432, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 31 ARG+ HN 31 ARG+ QG 4.64
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 431, 432,
&end
#
# 31 ARG+ QB 31 ARG+ HE 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 428, 429,
&end
#
# 31 ARG+ QG 32 LEU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 431, 432,
&end
#
# 32 LEU HA 32 LEU HG 4.18
&rst
ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 32 LEU HA 32 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 457, 458, 459,
&end
#
# 32 LEU HA 32 LEU QD2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 461, 462, 463,
&end
#
# 32 LEU HA 33 CYS HN 2.95
&rst
ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 32 LEU HB2 32 LEU QD1 3.25
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 457, 458, 459,
&end
#
# 32 LEU HB2 33 CYS HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 452, 467, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 32 LEU HB3 32 LEU QD1 3.15
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 457, 458, 459,
&end
#
# 32 LEU HB3 32 LEU QD2 3.03
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 461, 462, 463,
&end
#
# 32 LEU HB3 33 CYS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 453, 467, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 32 LEU HB3 33 CYS QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 471, 472,
&end
#
# 32 LEU HB3 36 ILE QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 512, 513, 514,
&end
#
# 32 LEU HG 45 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 455, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HN 32 LEU HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 32 LEU HN 32 LEU HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 32 LEU HN 32 LEU HG 3.90
&rst
ixpk= 0, nxpk= 0, iat= 448, 455, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 32 LEU HN 32 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 457, 458, 459,
&end
#
# 32 LEU HN 32 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 461, 462, 463,
&end
#
# 32 LEU QD1 33 CYS HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 457, 458, 459,
&end
#
# 32 LEU QD1 36 ILE HB 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 457, 458, 459,
&end
#
# 32 LEU QD1 36 ILE QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 457, 458, 459,
igr2= 509, 510,
&end
#
# 32 LEU QD1 36 ILE QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 457, 458, 459,
igr2= 505, 506, 507,
&end
#
# 32 LEU QD1 38 PRO HD3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 457, 458, 459,
&end
#
# 32 LEU QD1 45 TRP HE1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 457, 458, 459,
&end
#
# 32 LEU QD1 45 TRP HZ2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 457, 458, 459,
&end
#
# 32 LEU QD2 33 CYS HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 461, 462, 463,
&end
#
# 32 LEU QD2 45 TRP HD1 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 461, 462, 463,
&end
#
# 32 LEU QD2 45 TRP HE1 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 461, 462, 463,
&end
#
# 32 LEU QD2 45 TRP HH2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 461, 462, 463,
&end
#
# 32 LEU QD2 45 TRP HZ2 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 461, 462, 463,
&end
#
# 32 LEU QD2 50 ASN HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 461, 462, 463,
&end
#
# 32 LEU QD2 51 THR HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 461, 462, 463,
&end
#
# 33 CYS HA 34 GLY HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 469, 478, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 33 CYS HB2 36 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 471, 503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYS HB2 36 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 471, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYS HB2 36 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 471, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYS HB2 36 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 512, 513, 514,
&end
#
# 33 CYS HB3 36 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 472, 503, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYS HB3 36 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 472, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYS HB3 36 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 472, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 CYS HB3 36 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 512, 513, 514,
&end
#
# 33 CYS HN 33 CYS QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 471, 472,
&end
#
# 33 CYS HN 36 ILE QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 512, 513, 514,
&end
#
# 33 CYS HN 51 THR QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 724, 725, 726,
&end
#
# 33 CYS QB 34 GLY HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 471, 472,
&end
#
# 33 CYS QB 36 ILE QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 471, 472,
igr2= 512, 513, 514,
&end
#
# 33 CYS QB 36 ILE QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 471, 472,
igr2= 509, 510,
&end
#
# 33 CYS QB 51 THR QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 471, 472,
igr2= 724, 725, 726,
&end
#
# 35 ASN HB2 36 ILE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 489, 499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 35 ASN HB3 36 ILE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 490, 499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 35 ASN HN 36 ILE HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 485, 499, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 35 ASN QB 35 ASN QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 489, 490,
igr2= 494, 495,
&end
#
# 36 ILE HA 36 ILE HG12 3.75
&rst
ixpk= 0, nxpk= 0, iat= 501, 509, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 36 ILE HA 36 ILE HG13 3.75
&rst
ixpk= 0, nxpk= 0, iat= 501, 510, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 36 ILE HA 36 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 512, 513, 514,
&end
#
# 36 ILE HA 36 ILE QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 509, 510,
&end
#
# 36 ILE HA 36 ILE QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 505, 506, 507,
&end
#
# 36 ILE HA 37 ASP- HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 501, 522, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 36 ILE HA 37 ASP- HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 501, 523, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 36 ILE HA 37 ASP- HN 2.71
&rst
ixpk= 0, nxpk= 0, iat= 501, 518, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 36 ILE HA 40 VAL QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 565, 566, 567,
&end
#
# 36 ILE HB 36 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 512, 513, 514,
&end
#
# 36 ILE HB 37 ASP- HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 503, 518, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 36 ILE HG12 37 ASP- HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 509, 518, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 36 ILE HG13 37 ASP- HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 36 ILE HN 36 ILE HB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 499, 503, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 36 ILE HN 36 ILE HG12 4.05
&rst
ixpk= 0, nxpk= 0, iat= 499, 509, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 36 ILE HN 36 ILE HG13 4.05
&rst
ixpk= 0, nxpk= 0, iat= 499, 510, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 36 ILE HN 36 ILE QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 512, 513, 514,
&end
#
# 36 ILE HN 36 ILE QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 509, 510,
&end
#
# 36 ILE HN 36 ILE QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 505, 506, 507,
&end
#
# 36 ILE HN 37 ASP- HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 499, 518, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 36 ILE QD1 37 ASP- HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 512, 513, 514,
&end
#
# 36 ILE QD1 51 THR QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 512, 513, 514,
igr2= 724, 725, 726,
&end
#
# 36 ILE QG1 37 ASP- HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 509, 510,
&end
#
# 36 ILE QG2 36 ILE HG12 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 505, 506, 507,
&end
#
# 36 ILE QG2 36 ILE HG13 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 505, 506, 507,
&end
#
# 36 ILE QG2 37 ASP- HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 505, 506, 507,
&end
#
# 36 ILE QG2 37 ASP- HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 505, 506, 507,
&end
#
# 36 ILE QG2 37 ASP- HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 505, 506, 507,
&end
#
# 36 ILE QG2 38 PRO HD2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 505, 506, 507,
&end
#
# 36 ILE QG2 40 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 505, 506, 507,
&end
#
# 37 ASP- HA 38 PRO HD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 520, 531, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 37 ASP- HA 38 PRO HD3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 520, 532, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 37 ASP- HA 38 PRO HG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 520, 534, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 ASP- HA 38 PRO HG3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 520, 535, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 37 ASP- HB2 38 PRO HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 522, 531, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 37 ASP- HB2 38 PRO HD3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 522, 532, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 37 ASP- HB2 40 VAL HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 522, 555, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 37 ASP- HB2 40 VAL QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 565, 566, 567,
&end
#
# 37 ASP- HB3 38 PRO HD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 523, 531, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 37 ASP- HB3 38 PRO HD3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 523, 532, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 37 ASP- HB3 39 SER HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 523, 544, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 ASP- HB3 39 SER QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 548, 549,
&end
#
# 37 ASP- HB3 40 VAL HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 523, 555, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 37 ASP- HB3 40 VAL QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 561, 562, 563,
&end
#
# 37 ASP- HB3 40 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 565, 566, 567,
&end
#
# 37 ASP- HN 37 ASP- HB2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 37 ASP- HN 37 ASP- HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 518, 523, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 37 ASP- HN 38 PRO HD2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 518, 531, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 37 ASP- HN 38 PRO HD3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 518, 532, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 37 ASP- HN 40 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 565, 566, 567,
&end
#
# 38 PRO HA 40 VAL HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 540, 555, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 38 PRO HA 41 LEU HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 540, 575, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 38 PRO HA 41 LEU HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 540, 576, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 38 PRO HA 41 LEU HG 3.23
&rst
ixpk= 0, nxpk= 0, iat= 540, 578, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 38 PRO HA 41 LEU HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 540, 571, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 38 PRO HA 41 LEU QD1 3.24
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 580, 581, 582,
&end
#
# 38 PRO HA 41 LEU QD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 584, 585, 586,
&end
#
# 38 PRO HA 72 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1057,1058,1059,
&end
#
# 38 PRO HB2 39 SER HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 537, 546, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 38 PRO HB2 41 LEU HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 537, 575, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 38 PRO HB2 41 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 580, 581, 582,
&end
#
# 38 PRO HB2 72 THR QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1057,1058,1059,
&end
#
# 38 PRO HB3 41 LEU HG 5.41
&rst
ixpk= 0, nxpk= 0, iat= 538, 578, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 38 PRO HB3 41 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 580, 581, 582,
&end
#
# 38 PRO HB3 72 THR QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1057,1058,1059,
&end
#
# 38 PRO HD2 39 SER HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= 531, 544, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 38 PRO HD2 41 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 580, 581, 582,
&end
#
# 38 PRO HD3 39 SER HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 532, 544, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 38 PRO HD3 41 LEU QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 580, 581, 582,
&end
#
# 38 PRO HG2 39 SER HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 534, 546, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 38 PRO HG2 39 SER HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 534, 544, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 38 PRO HG2 41 LEU QD1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 580, 581, 582,
&end
#
# 38 PRO HG2 72 THR QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1057,1058,1059,
&end
#
# 38 PRO HG3 39 SER HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 535, 544, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 38 PRO HG3 41 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 580, 581, 582,
&end
#
# 39 SER HA 40 VAL QG1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 561, 562, 563,
&end
#
# 39 SER HA 41 LEU HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 546, 571, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 SER HB2 40 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 561, 562, 563,
&end
#
# 39 SER HB3 40 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 561, 562, 563,
&end
#
# 39 SER HN 39 SER HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 39 SER HN 39 SER HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 544, 549, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 39 SER HN 39 SER QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 548, 549,
&end
#
# 39 SER HN 40 VAL HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 544, 555, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 39 SER HN 40 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 561, 562, 563,
&end
#
# 39 SER HN 40 VAL QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 565, 566, 567,
&end
#
# 39 SER HN 41 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 580, 581, 582,
&end
#
# 39 SER QB 40 VAL HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 548, 549,
&end
#
# 39 SER QB 40 VAL QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 548, 549,
igr2= 561, 562, 563,
&end
#
# 40 VAL HA 40 VAL HB 2.94
&rst
ixpk= 0, nxpk= 0, iat= 557, 559, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 40 VAL HA 40 VAL QG1 2.90
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 561, 562, 563,
&end
#
# 40 VAL HA 40 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 565, 566, 567,
&end
#
# 40 VAL HB 41 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 VAL HN 40 VAL HB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 40 VAL HN 40 VAL QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 561, 562, 563,
&end
#
# 40 VAL HN 40 VAL QG2 3.08
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 565, 566, 567,
&end
#
# 40 VAL HN 41 LEU HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 555, 573, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 40 VAL HN 41 LEU HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 555, 575, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 40 VAL HN 41 LEU HG 4.42
&rst
ixpk= 0, nxpk= 0, iat= 555, 578, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 40 VAL HN 41 LEU HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 555, 571, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 40 VAL HN 41 LEU QD2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 584, 585, 586,
&end
#
# 40 VAL QG1 41 LEU HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 561, 562, 563,
&end
#
# 40 VAL QG2 41 LEU HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 565, 566, 567,
&end
#
# 40 VAL QG2 41 LEU HG 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 565, 566, 567,
&end
#
# 40 VAL QG2 41 LEU HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 565, 566, 567,
&end
#
# 40 VAL QG2 41 LEU QD2 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 565, 566, 567,
igr2= 584, 585, 586,
&end
#
# 41 LEU HA 41 LEU HG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 573, 578, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 41 LEU HA 41 LEU QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 580, 581, 582,
&end
#
# 41 LEU HA 41 LEU QD2 2.85
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 584, 585, 586,
&end
#
# 41 LEU HA 42 PRO HD2 2.88
&rst
ixpk= 0, nxpk= 0, iat= 573, 591, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 41 LEU HA 42 PRO HD3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 573, 592, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 LEU HA 42 PRO HG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 573, 594, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 41 LEU HA 42 PRO HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 41 LEU HA 45 TRP HD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 573, 638, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 41 LEU HA 72 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1057,1058,1059,
&end
#
# 41 LEU HB2 41 LEU QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 580, 581, 582,
&end
#
# 41 LEU HB2 41 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 584, 585, 586,
&end
#
# 41 LEU HB2 42 PRO HD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 575, 591, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 41 LEU HB2 42 PRO HD3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 575, 592, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 41 LEU HB2 45 TRP HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 575, 634, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 41 LEU HB2 45 TRP HD1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 575, 638, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 41 LEU HB2 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 41 LEU HB2 72 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1057,1058,1059,
&end
#
# 41 LEU HB3 41 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 580, 581, 582,
&end
#
# 41 LEU HB3 41 LEU QD2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 584, 585, 586,
&end
#
# 41 LEU HB3 42 PRO HD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 576, 591, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 41 LEU HB3 42 PRO HD3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 576, 592, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 41 LEU HB3 45 TRP HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 576, 634, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 41 LEU HB3 45 TRP HD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 576, 638, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 41 LEU HB3 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 41 LEU HG 42 PRO HD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 578, 591, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 41 LEU HN 41 LEU HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 571, 575, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 41 LEU HN 41 LEU HG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 571, 578, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 41 LEU HN 41 LEU QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 580, 581, 582,
&end
#
# 41 LEU HN 41 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 584, 585, 586,
&end
#
# 41 LEU QD1 42 PRO HD2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 580, 581, 582,
&end
#
# 41 LEU QD1 42 PRO HD3 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 580, 581, 582,
&end
#
# 41 LEU QD1 45 TRP HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 580, 581, 582,
&end
#
# 41 LEU QD1 45 TRP HD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 580, 581, 582,
&end
#
# 41 LEU QD1 45 TRP HE1 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 580, 581, 582,
&end
#
# 41 LEU QD1 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 580, 581, 582,
igr2=1021,1022,1023,
&end
#
# 41 LEU QD1 72 THR QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 580, 581, 582,
igr2=1057,1058,1059,
&end
#
# 41 LEU QD2 42 PRO HD2 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 584, 585, 586,
&end
#
# 41 LEU QD2 42 PRO HD3 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 584, 585, 586,
&end
#
# 41 LEU QD2 42 PRO HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 584, 585, 586,
&end
#
# 41 LEU QD2 42 PRO HG3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 584, 585, 586,
&end
#
# 41 LEU QD2 45 TRP HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 584, 585, 586,
&end
#
# 41 LEU QD2 45 TRP HD1 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 584, 585, 586,
&end
#
# 41 LEU QD2 45 TRP HE1 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 584, 585, 586,
&end
#
# 42 PRO HA 44 ASN HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 600, 616, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 42 PRO HB2 45 TRP HD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 597, 638, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 42 PRO HB3 45 TRP HD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 598, 638, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 42 PRO HD2 45 TRP HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 591, 634, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 42 PRO HD2 45 TRP HD1 3.18
&rst
ixpk= 0, nxpk= 0, iat= 591, 638, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 42 PRO HD2 45 TRP HE1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 591, 640, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 42 PRO HD3 45 TRP HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 592, 634, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 42 PRO HD3 45 TRP HD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 592, 638, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 42 PRO HD3 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 42 PRO HG2 44 ASN HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 594, 616, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 42 PRO HG2 45 TRP HA 3.59
&rst
ixpk= 0, nxpk= 0, iat= 594, 632, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 42 PRO HG2 45 TRP HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 594, 634, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 42 PRO HG2 45 TRP HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 594, 635, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 42 PRO HG2 45 TRP HD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 594, 638, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 42 PRO HG2 45 TRP HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 594, 630, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 42 PRO HG2 49 GLN HE22 5.47
&rst
ixpk= 0, nxpk= 0, iat= 594, 700, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 42 PRO HG3 45 TRP HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 595, 634, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 42 PRO HG3 45 TRP HD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 595, 638, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 42 PRO QB 44 ASN HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 597, 598,
&end
#
# 42 PRO QB 45 TRP HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 597, 598,
&end
#
# 42 PRO QB 45 TRP HD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 597, 598,
&end
#
# 43 ASP HA 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 43 ASP- HB2 45 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 608, 630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP- HB3 45 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 609, 630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP- HN 44 ASN HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 604, 616, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 43 ASP- QB 44 ASN HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 608, 609,
&end
#
# 43 ASP- QB 44 ASN QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 608, 609,
igr2= 625, 626,
&end
#
# 44 ASN HA 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 44 ASN HB2 44 ASN HD21 4.08
&rst
ixpk= 0, nxpk= 0, iat= 620, 625, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 ASN HB2 44 ASN HD22 4.08
&rst
ixpk= 0, nxpk= 0, iat= 620, 626, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 ASN HB3 44 ASN HD21 4.08
&rst
ixpk= 0, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 ASN HB3 44 ASN HD22 4.08
&rst
ixpk= 0, nxpk= 0, iat= 621, 626, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 ASN HN 44 ASN HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 44 ASN HN 44 ASN HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 44 ASN HN 44 ASN QD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 625, 626,
&end
#
# 44 ASN HN 45 TRP HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 616, 635, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 44 ASN HN 45 TRP HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 616, 630, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 44 ASN HN 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 44 ASN QB 44 ASN QD2 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 620, 621,
igr2= 625, 626,
&end
#
# 45 TRP HA 45 TRP HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat= 632, 634, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 45 TRP HA 45 TRP HD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 632, 638, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 45 TRP HA 46 SER HN 2.72
&rst
ixpk= 0, nxpk= 0, iat= 632, 654, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 45 TRP HA 49 GLN HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 632, 691, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 45 TRP HA 49 GLN HE21 3.74
&rst
ixpk= 0, nxpk= 0, iat= 632, 699, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 45 TRP HA 49 GLN HE22 3.71
&rst
ixpk= 0, nxpk= 0, iat= 632, 700, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 45 TRP HA 49 GLN HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 632, 694, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 45 TRP HA 49 GLN HG3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 632, 695, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 45 TRP HA 49 GLN HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 632, 687, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 45 TRP HA 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 45 TRP HB2 45 TRP HD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 45 TRP HB2 45 TRP HE1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 634, 640, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 45 TRP HB2 46 SER HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 634, 654, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 45 TRP HB2 70 ALA QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1021,1022,1023,
&end
#
# 45 TRP HB3 45 TRP HE3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 635, 649, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 45 TRP HB3 70 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1021,1022,1023,
&end
#
# 45 TRP HD1 49 GLN HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 638, 691, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 45 TRP HD1 49 GLN HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 638, 692, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 45 TRP HD1 49 GLN HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 638, 694, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 45 TRP HD1 70 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1021,1022,1023,
&end
#
# 45 TRP HE1 46 SER HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 640, 654, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 45 TRP HE1 49 GLN HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 640, 691, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 45 TRP HE1 49 GLN HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 640, 692, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 45 TRP HE1 49 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 640, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 TRP HE1 49 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 640, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 TRP HE1 50 ASN HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 640, 706, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 45 TRP HE3 46 SER HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= 649, 656, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 45 TRP HE3 46 SER HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 649, 654, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 45 TRP HE3 47 CYM HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 649, 667, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 45 TRP HE3 47 CYM HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 649, 665, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 45 TRP HH2 47 CYM HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 645, 667, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 45 TRP HH2 50 ASN HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 645, 708, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 45 TRP HH2 50 ASN HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 645, 709, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 45 TRP HH2 50 ASN HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 645, 704, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 45 TRP HN 45 TRP HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 45 TRP HN 45 TRP HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 45 TRP HN 70 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1021,1022,1023,
&end
#
# 45 TRP HZ2 49 GLN HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 643, 687, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 45 TRP HZ2 50 ASN HA 3.54
&rst
ixpk= 0, nxpk= 0, iat= 643, 706, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 45 TRP HZ2 50 ASN HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 643, 708, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 45 TRP HZ2 50 ASN HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 643, 709, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 45 TRP HZ2 50 ASN HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 643, 704, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 45 TRP HZ2 51 THR HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 643, 718, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 45 TRP HZ3 46 SER HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 647, 656, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 45 TRP HZ3 47 CYM HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= 647, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 45 TRP HZ3 47 CYM HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 647, 665, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 46 SER HA 47 CYM HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 656, 667, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 SER HA 47 CYM HN 2.92
&rst
ixpk= 0, nxpk= 0, iat= 656, 665, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 46 SER HA 48 ASP- HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 656, 675, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 46 SER HA 49 GLN HE21 5.44
&rst
ixpk= 0, nxpk= 0, iat= 656, 699, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 46 SER HB2 47 CYM HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 658, 665, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 46 SER HB2 48 ASP- HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 658, 675, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 46 SER HB3 47 CYM HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 659, 665, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 46 SER HB3 48 ASP- HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 659, 675, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 46 SER HN 46 SER HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 654, 658, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 SER HN 46 SER HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 654, 659, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 SER HN 46 SER QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 658, 659,
&end
#
# 46 SER HN 47 CYM HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 654, 665, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 46 SER HN 49 GLN HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 654, 691, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 46 SER HN 49 GLN HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat= 654, 692, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 46 SER HN 49 GLN HE21 3.60
&rst
ixpk= 0, nxpk= 0, iat= 654, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 46 SER HN 49 GLN HE22 3.94
&rst
ixpk= 0, nxpk= 0, iat= 654, 700, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 46 SER HN 49 GLN HG3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 654, 695, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 46 SER HN 49 GLN HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 654, 687, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 46 SER QB 47 CYM HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 658, 659,
&end
#
# 46 SER QB 48 ASP- HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 658, 659,
&end
#
# 46 SER QB 49 GLN HE21 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 658, 659,
&end
#
# 47 CYM HA 49 GLN HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 667, 687, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 47 CYM HA 56 ASN HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 667, 800, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 47 CYM HB2 48 ASP- HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= 670, 675, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 47 CYM HB2 49 GLN HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 670, 687, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 47 CYM HB2 57 ARG+ HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 670, 814, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 47 CYM HB2 57 ARG+ HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 670, 812, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 47 CYM HB2 58 CYM HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 670, 838, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 47 CYM HB2 58 CYM HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 670, 836, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 47 CYM HB3 48 ASP- HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 669, 675, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 47 CYM HB3 50 ASN HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 669, 708, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 47 CYM HB3 56 ASN HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 669, 800, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 47 CYM HB3 57 ARG+ HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 669, 814, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 47 CYM HB3 57 ARG+ HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 669, 812, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 47 CYM HB3 58 CYM HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 669, 838, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 47 CYM HB3 58 CYM HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 669, 836, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 47 CYM HN 47 CYM HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 665, 670, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 47 CYM HN 47 CYM HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 665, 669, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 47 CYM HN 48 ASP- HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 665, 675, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 47 CYM HN 49 GLN HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 665, 687, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 48 ASP- HA 48 ASP- QB 2.61
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2= 679, 680,
&end
#
# 48 ASP- HA 50 ASN HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 677, 704, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 48 ASP- HA 56 ASN HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= 677, 800, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 48 ASP- HA 56 ASN HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 677, 802, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 48 ASP- HN 48 ASP- HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 675, 679, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 48 ASP- HN 48 ASP- HB3 3.12
&rst
ixpk= 0, nxpk= 0, iat= 675, 680, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 48 ASP- HN 49 GLN HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 675, 691, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 48 ASP- HN 49 GLN HE21 4.56
&rst
ixpk= 0, nxpk= 0, iat= 675, 699, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 48 ASP- HN 49 GLN HG3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 675, 695, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 48 ASP- HN 49 GLN HN 2.97
&rst
ixpk= 0, nxpk= 0, iat= 675, 687, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 48 ASP- QB 49 GLN HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 679, 680,
&end
#
# 49 GLN HA 49 GLN HB3 2.89
&rst
ixpk= 0, nxpk= 0, iat= 689, 692, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 49 GLN HA 49 GLN HG2 2.97
&rst
ixpk= 0, nxpk= 0, iat= 689, 694, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 49 GLN HA 49 GLN HG3 3.21
&rst
ixpk= 0, nxpk= 0, iat= 689, 695, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 49 GLN HB2 49 GLN HE21 4.53
&rst
ixpk= 0, nxpk= 0, iat= 691, 699, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 49 GLN HB2 50 ASN HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 691, 704, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 49 GLN HB3 49 GLN HE21 4.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 GLN HB3 49 GLN HG2 2.79
&rst
ixpk= 0, nxpk= 0, iat= 692, 694, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 49 GLN HB3 50 ASN HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 692, 704, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 49 GLN HG3 49 GLN HE21 3.46
&rst
ixpk= 0, nxpk= 0, iat= 695, 699, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 49 GLN HG3 50 ASN HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 695, 704, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 49 GLN HN 49 GLN HB2 3.05
&rst
ixpk= 0, nxpk= 0, iat= 687, 691, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 49 GLN HN 49 GLN HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 687, 692, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 49 GLN HN 49 GLN HE21 4.61
&rst
ixpk= 0, nxpk= 0, iat= 687, 699, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 49 GLN HN 49 GLN HG3 3.17
&rst
ixpk= 0, nxpk= 0, iat= 687, 695, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 49 GLN HN 50 ASN HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 687, 706, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 49 GLN HN 50 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 687, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 GLN HN 50 ASN HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= 687, 704, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 50 ASN HA 51 THR HN 2.97
&rst
ixpk= 0, nxpk= 0, iat= 706, 718, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 50 ASN HA 51 THR QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 724, 725, 726,
&end
#
# 50 ASN HA 52 ASP- HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 706, 732, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 50 ASN HA 56 ASN HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 706, 800, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 50 ASN HB2 50 ASN QD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 713, 714,
&end
#
# 50 ASN HB2 51 THR HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 708, 718, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 50 ASN HB2 52 ASP- HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 708, 732, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 50 ASN HB2 56 ASN HA 3.58
&rst
ixpk= 0, nxpk= 0, iat= 708, 800, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 50 ASN HB2 56 ASN HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 708, 802, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 50 ASN HB2 56 ASN HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 708, 803, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 50 ASN HB3 50 ASN QD2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 713, 714,
&end
#
# 50 ASN HB3 51 THR HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 709, 718, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 50 ASN HB3 52 ASP- HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 709, 732, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 50 ASN HB3 56 ASN HA 3.32
&rst
ixpk= 0, nxpk= 0, iat= 709, 800, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 50 ASN HB3 56 ASN HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 709, 802, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 50 ASN HB3 56 ASN HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 709, 803, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 50 ASN HB3 56 ASN HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 709, 798, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 50 ASN HD21 52 ASP- HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 713, 736, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 50 ASN HD21 52 ASP- HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 713, 737, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 50 ASN HD21 55 TYR HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 713, 781, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 50 ASN HD21 56 ASN HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 713, 800, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 50 ASN HD22 52 ASP- HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 714, 736, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 50 ASN HD22 52 ASP- HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 714, 737, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 50 ASN HD22 55 TYR HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 714, 781, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 50 ASN HD22 56 ASN HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 714, 800, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 50 ASN HN 50 ASN HB2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 704, 708, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 50 ASN HN 50 ASN HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 50 ASN HN 51 THR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 704, 718, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 50 ASN HN 56 ASN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 704, 800, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 ASN HN 56 ASN HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 704, 802, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 50 ASN HN 56 ASN HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 704, 803, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 50 ASN QD2 52 ASP- HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 713, 714,
&end
#
# 50 ASN QD2 52 ASP- HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 713, 714,
&end
#
# 50 ASN QD2 55 TYR HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 713, 714,
&end
#
# 50 ASN QD2 55 TYR HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 713, 714,
&end
#
# 50 ASN QD2 55 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 713, 714,
igr2= 785, 794,
&end
#
# 50 ASN QD2 56 ASN HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 713, 714,
&end
#
# 51 THR HA 51 THR HB 2.66
&rst
ixpk= 0, nxpk= 0, iat= 720, 722, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 51 THR HA 51 THR QG2 2.63
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2= 724, 725, 726,
&end
#
# 51 THR HB 52 ASP- HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 722, 732, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 51 THR HN 51 THR HB 3.98
&rst
ixpk= 0, nxpk= 0, iat= 718, 722, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 51 THR HN 51 THR QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 724, 725, 726,
&end
#
# 51 THR HN 52 ASP- HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 718, 736, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 51 THR HN 52 ASP- HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 718, 737, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 51 THR HN 52 ASP- HN 3.16
&rst
ixpk= 0, nxpk= 0, iat= 718, 732, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 51 THR QG2 52 ASP- HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 724, 725, 726,
&end
#
# 52 ASP- HA 53 VAL HN 2.68
&rst
ixpk= 0, nxpk= 0, iat= 734, 744, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 52 ASP- HA 54 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 734, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASP- HA 54 GLN HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 734, 760, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 52 ASP- HB2 53 VAL HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 736, 744, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 52 ASP- HB2 54 GLN HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 736, 760, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 52 ASP- HB2 55 TYR HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 736, 781, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 52 ASP- HB2 55 TYR HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 736, 777, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 52 ASP- HB3 53 VAL HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 737, 744, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 52 ASP- HB3 54 GLN HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 737, 760, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 52 ASP- HB3 55 TYR HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 737, 781, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 52 ASP- HN 52 ASP- HB2 3.13
&rst
ixpk= 0, nxpk= 0, iat= 732, 736, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 52 ASP- HN 52 ASP- HB3 3.15
&rst
ixpk= 0, nxpk= 0, iat= 732, 737, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 52 ASP- HN 53 VAL HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 732, 744, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 52 ASP- HN 53 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 750, 751, 752,
&end
#
# 53 VAL HA 53 VAL HB 2.68
&rst
ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 53 VAL HA 53 VAL QG1 2.79
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2= 750, 751, 752,
&end
#
# 53 VAL HA 53 VAL QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 754, 755, 756,
&end
#
# 53 VAL HA 55 TYR HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 746, 777, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 53 VAL HA 56 ASN HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 746, 800, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 53 VAL HA 56 ASN HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 746, 802, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 53 VAL HA 56 ASN HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 746, 803, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 53 VAL HA 56 ASN HD21 3.48
&rst
ixpk= 0, nxpk= 0, iat= 746, 807, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 53 VAL HA 56 ASN HD22 3.48
&rst
ixpk= 0, nxpk= 0, iat= 746, 808, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 53 VAL HA 56 ASN HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 746, 798, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 53 VAL HB 54 GLN HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 748, 760, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 53 VAL HB 56 ASN HD21 4.25
&rst
ixpk= 0, nxpk= 0, iat= 748, 807, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 53 VAL HB 56 ASN HD22 4.25
&rst
ixpk= 0, nxpk= 0, iat= 748, 808, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 53 VAL HB 56 ASN QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 807, 808,
&end
#
# 53 VAL HN 53 VAL HB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 53 VAL HN 53 VAL QG1 2.83
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 750, 751, 752,
&end
#
# 53 VAL HN 53 VAL QG2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 754, 755, 756,
&end
#
# 53 VAL HN 54 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 744, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 VAL HN 54 GLN HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= 744, 760, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 53 VAL HN 55 TYR HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 744, 777, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 53 VAL QG1 54 GLN HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 750, 751, 752,
&end
#
# 53 VAL QG1 55 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 750, 751, 752,
&end
#
# 53 VAL QG1 56 ASN HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 750, 751, 752,
&end
#
# 53 VAL QG1 56 ASN HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 750, 751, 752,
&end
#
# 53 VAL QG1 56 ASN HD21 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 750, 751, 752,
&end
#
# 53 VAL QG1 56 ASN HD22 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 750, 751, 752,
&end
#
# 53 VAL QG1 56 ASN HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 750, 751, 752,
&end
#
# 53 VAL QG2 54 GLN HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 754, 755, 756,
&end
#
# 53 VAL QG2 54 GLN HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 754, 755, 756,
&end
#
# 53 VAL QG2 54 GLN HG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 754, 755, 756,
&end
#
# 53 VAL QG2 54 GLN HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 754, 755, 756,
&end
#
# 53 VAL QG2 56 ASN QD2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 754, 755, 756,
igr2= 807, 808,
&end
#
# 54 GLN HA 54 GLN HB2 2.89
&rst
ixpk= 0, nxpk= 0, iat= 762, 764, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 54 GLN HA 54 GLN HB3 2.87
&rst
ixpk= 0, nxpk= 0, iat= 762, 765, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 54 GLN HA 54 GLN HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 762, 767, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 54 GLN HA 54 GLN HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 762, 768, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 54 GLN HA 55 TYR QD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 785, 794,
&end
#
# 54 GLN HA 55 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 787, 792,
&end
#
# 54 GLN HA 60 ILE QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 871, 872, 873,
&end
#
# 54 GLN HB2 55 TYR HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 764, 777, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 54 GLN HB2 55 TYR QD 3.67
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 785, 794,
&end
#
# 54 GLN HB2 55 TYR QE 3.64
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 787, 792,
&end
#
# 54 GLN HB3 54 GLN QE2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 772, 773,
&end
#
# 54 GLN HB3 55 TYR HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 765, 777, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 54 GLN HB3 55 TYR QD 4.26
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 785, 794,
&end
#
# 54 GLN HB3 55 TYR QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 787, 792,
&end
#
# 54 GLN HG2 55 TYR HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 767, 777, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 54 GLN HG2 55 TYR QD 4.93
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 785, 794,
&end
#
# 54 GLN HG2 55 TYR QE 5.28
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 787, 792,
&end
#
# 54 GLN HG3 55 TYR HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 768, 781, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 54 GLN HG3 55 TYR QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 785, 794,
&end
#
# 54 GLN HG3 55 TYR QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 787, 792,
&end
#
# 54 GLN HN 54 GLN HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 760, 764, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 54 GLN HN 54 GLN HB3 3.03
&rst
ixpk= 0, nxpk= 0, iat= 760, 765, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 54 GLN HN 54 GLN HG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 760, 767, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 54 GLN HN 54 GLN HG3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 54 GLN HN 55 TYR HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 760, 777, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 54 GLN HN 55 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 787, 792,
&end
#
# 54 GLN HN 56 ASN HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 760, 798, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 54 GLN QE2 55 TYR QD 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 772, 773,
igr2= 785, 794,
&end
#
# 55 TYR HA 55 TYR QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 785, 794,
&end
#
# 55 TYR HA 56 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 779, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 TYR HA 56 ASN HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 779, 798, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 55 TYR HA 57 ARG+ HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 779, 812, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 55 TYR HA 60 ILE HB 4.03
&rst
ixpk= 0, nxpk= 0, iat= 779, 862, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 55 TYR HA 60 ILE HG13 4.55
&rst
ixpk= 0, nxpk= 0, iat= 779, 869, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 55 TYR HA 60 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 871, 872, 873,
&end
#
# 55 TYR HA 60 ILE QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 864, 865, 866,
&end
#
# 55 TYR HB2 56 ASN HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 781, 798, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 55 TYR HB2 60 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 781, 862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 TYR HB2 60 ILE QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 864, 865, 866,
&end
#
# 55 TYR HB2 63 GLU- QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 910, 911,
&end
#
# 55 TYR HB3 56 ASN HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 782, 798, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 55 TYR HB3 57 ARG+ HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 782, 812, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 55 TYR HB3 60 ILE HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 782, 862, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 55 TYR HB3 60 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 871, 872, 873,
&end
#
# 55 TYR HB3 60 ILE QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 864, 865, 866,
&end
#
# 55 TYR HN 55 TYR HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 777, 781, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 55 TYR HN 55 TYR HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 777, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 55 TYR HN 56 ASN HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 777, 800, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 55 TYR HN 56 ASN HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 777, 803, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 55 TYR HN 56 ASN HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 777, 798, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 55 TYR HN 57 ARG+ HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 777, 812, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 55 TYR HN 60 ILE QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 871, 872, 873,
&end
#
# 55 TYR HN 60 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 864, 865, 866,
&end
#
# 55 TYR QD 60 ILE HB 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 785, 794,
&end
#
# 55 TYR QD 60 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 785, 794,
igr2= 871, 872, 873,
&end
#
# 55 TYR QD 60 ILE QG2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 785, 794,
igr2= 864, 865, 866,
&end
#
# 55 TYR QD 62 GLU- HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 785, 794,
&end
#
# 55 TYR QD 63 GLU- QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 785, 794,
igr2= 910, 911,
&end
#
# 55 TYR QE 60 ILE QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 787, 792,
igr2= 864, 865, 866,
&end
#
# 55 TYR QE 62 GLU- HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 787, 792,
&end
#
# 55 TYR QE 63 GLU- HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 787, 792,
&end
#
# 55 TYR QE 63 GLU- HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 787, 792,
&end
#
# 55 TYR QE 63 GLU- HG3 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 787, 792,
&end
#
# 55 TYR QE 63 GLU- HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 787, 792,
&end
#
# 55 TYR QE 63 GLU- QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 787, 792,
igr2= 910, 911,
&end
#
# 55 TYR QE 63 GLU- QG 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 787, 792,
igr2= 913, 914,
&end
#
# 55 TYR QE 64 THR HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 787, 792,
&end
#
# 56 ASN HA 57 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 820, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ASN HA 57 ARG+ HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 800, 812, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 56 ASN HA 60 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 871, 872, 873,
&end
#
# 56 ASN HB2 56 ASN HD21 3.66
&rst
ixpk= 0, nxpk= 0, iat= 802, 807, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 56 ASN HB2 56 ASN HD22 3.66
&rst
ixpk= 0, nxpk= 0, iat= 802, 808, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 56 ASN HB2 56 ASN QD2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 807, 808,
&end
#
# 56 ASN HB2 57 ARG+ HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 802, 812, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 ASN HB3 56 ASN HD21 3.83
&rst
ixpk= 0, nxpk= 0, iat= 803, 807, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 56 ASN HB3 56 ASN HD22 3.83
&rst
ixpk= 0, nxpk= 0, iat= 803, 808, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 56 ASN HB3 56 ASN QD2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 807, 808,
&end
#
# 56 ASN HB3 57 ARG+ HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 803, 812, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 56 ASN HN 56 ASN HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 56 ASN HN 56 ASN HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 798, 803, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 56 ASN HN 57 ARG+ HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 798, 820, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 56 ASN HN 57 ARG+ HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= 798, 812, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 56 ASN HN 60 ILE HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 798, 862, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 56 ASN HN 60 ILE QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 871, 872, 873,
&end
#
# 56 ASN HN 60 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 864, 865, 866,
&end
#
# 57 ARG+ HA 57 ARG+ HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 814, 819, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 57 ARG+ HA 57 ARG+ HG3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 814, 820, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 57 ARG+ HA 57 ARG+ QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 822, 823,
&end
#
# 57 ARG+ HA 58 CYM HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 814, 841, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 57 ARG+ HA 58 CYM HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 814, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ARG+ HA 58 CYM HN 3.19
&rst
ixpk= 0, nxpk= 0, iat= 814, 836, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 57 ARG+ HA 59 ASP- HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 814, 846, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 ARG+ HA 60 ILE QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 871, 872, 873,
&end
#
# 57 ARG+ HB2 57 ARG+ HD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 816, 822, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 57 ARG+ HB2 57 ARG+ HD3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 816, 823, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 57 ARG+ HB2 57 ARG+ HE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 816, 825, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 57 ARG+ HB2 57 ARG+ QD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 822, 823,
&end
#
# 57 ARG+ HB2 58 CYM HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 816, 836, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 57 ARG+ HB2 59 ASP- HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 816, 846, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 57 ARG+ HB2 60 ILE HG12 4.04
&rst
ixpk= 0, nxpk= 0, iat= 816, 868, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 57 ARG+ HB2 60 ILE HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 816, 858, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 57 ARG+ HB2 60 ILE QD1 2.71
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 871, 872, 873,
&end
#
# 57 ARG+ HB3 57 ARG+ HD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 817, 822, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 57 ARG+ HB3 57 ARG+ HD3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 817, 823, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 57 ARG+ HB3 57 ARG+ HE 4.39
&rst
ixpk= 0, nxpk= 0, iat= 817, 825, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 57 ARG+ HB3 57 ARG+ QD 3.08
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 822, 823,
&end
#
# 57 ARG+ HB3 58 CYM HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 817, 838, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 57 ARG+ HB3 58 CYM HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 817, 841, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 57 ARG+ HB3 58 CYM HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 817, 840, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ARG+ HB3 58 CYM HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 817, 836, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 57 ARG+ HB3 59 ASP- HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 817, 848, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 57 ARG+ HB3 59 ASP- HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 817, 851, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 57 ARG+ HB3 59 ASP- HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 817, 846, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 57 ARG+ HB3 60 ILE HG12 4.13
&rst
ixpk= 0, nxpk= 0, iat= 817, 868, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 57 ARG+ HB3 60 ILE HG13 3.49
&rst
ixpk= 0, nxpk= 0, iat= 817, 869, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 57 ARG+ HB3 60 ILE HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 817, 858, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 57 ARG+ HB3 60 ILE QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 871, 872, 873,
&end
#
# 57 ARG+ HD2 59 ASP- HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 822, 846, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 57 ARG+ HD2 60 ILE HG12 5.07
&rst
ixpk= 0, nxpk= 0, iat= 822, 868, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 57 ARG+ HD2 60 ILE QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 871, 872, 873,
&end
#
# 57 ARG+ HD3 59 ASP- HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 823, 846, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 57 ARG+ HD3 60 ILE HG12 5.07
&rst
ixpk= 0, nxpk= 0, iat= 823, 868, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 57 ARG+ HD3 60 ILE QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 871, 872, 873,
&end
#
# 57 ARG+ HG2 57 ARG+ QD 2.56
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2= 822, 823,
&end
#
# 57 ARG+ HG2 58 CYM HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 819, 841, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 57 ARG+ HG2 58 CYM HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= 819, 836, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 57 ARG+ HG2 59 ASP- HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 819, 846, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 57 ARG+ HG3 57 ARG+ QD 2.56
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2= 822, 823,
&end
#
# 57 ARG+ HG3 60 ILE QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 871, 872, 873,
&end
#
# 57 ARG+ HN 57 ARG+ HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 812, 816, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 57 ARG+ HN 57 ARG+ HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 812, 817, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 57 ARG+ HN 57 ARG+ HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 812, 822, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 57 ARG+ HN 57 ARG+ HD3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 812, 823, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 57 ARG+ HN 57 ARG+ HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 812, 820, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 57 ARG+ HN 57 ARG+ QD 4.67
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 822, 823,
&end
#
# 57 ARG+ HN 58 CYM HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 812, 836, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 57 ARG+ HN 59 ASP- HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 812, 846, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 57 ARG+ HN 60 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 862, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 ARG+ HN 60 ILE HG12 4.92
&rst
ixpk= 0, nxpk= 0, iat= 812, 868, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 57 ARG+ HN 60 ILE HG13 4.40
&rst
ixpk= 0, nxpk= 0, iat= 812, 869, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 57 ARG+ HN 60 ILE HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 812, 858, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 57 ARG+ HN 60 ILE QD1 2.93
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 871, 872, 873,
&end
#
# 57 ARG+ HN 60 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 864, 865, 866,
&end
#
# 57 ARG+ QD 59 ASP- HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 822, 823,
&end
#
# 57 ARG+ QD 60 ILE HG12 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 822, 823,
&end
#
# 57 ARG+ QD 60 ILE QD1 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 822, 823,
igr2= 871, 872, 873,
&end
#
# 58 CYM HA 58 CYM HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 838, 841, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 CYM HA 60 ILE HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 838, 858, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 58 CYM HB2 59 ASP- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 841, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 CYM HB2 59 ASP- HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 841, 846, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 58 CYM HB3 59 ASP- HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 840, 850, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 58 CYM HB3 59 ASP- HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 840, 846, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 58 CYM HB3 60 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 840, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 CYM HN 58 CYM HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 836, 841, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 58 CYM HN 58 CYM HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 836, 840, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 58 CYM HN 59 ASP- HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 836, 846, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 58 CYM HN 60 ILE HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 836, 858, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 59 ASP- HA 59 ASP- HB2 2.77
&rst
ixpk= 0, nxpk= 0, iat= 848, 850, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 59 ASP- HA 59 ASP- HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 848, 851, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 59 ASP- HA 60 ILE HG13 5.18
&rst
ixpk= 0, nxpk= 0, iat= 848, 869, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 59 ASP- HA 60 ILE HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 848, 858, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 59 ASP- HB2 60 ILE HG13 5.13
&rst
ixpk= 0, nxpk= 0, iat= 850, 869, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 59 ASP- HB2 60 ILE HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 850, 858, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 59 ASP- HB3 60 ILE HG13 4.98
&rst
ixpk= 0, nxpk= 0, iat= 851, 869, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 59 ASP- HB3 60 ILE HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 851, 858, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 59 ASP- HN 59 ASP- HB2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 846, 850, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 59 ASP- HN 59 ASP- HB3 2.97
&rst
ixpk= 0, nxpk= 0, iat= 846, 851, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 59 ASP- HN 60 ILE HB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 846, 862, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 59 ASP- HN 60 ILE HG12 4.85
&rst
ixpk= 0, nxpk= 0, iat= 846, 868, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 59 ASP- HN 60 ILE HG13 4.54
&rst
ixpk= 0, nxpk= 0, iat= 846, 869, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 59 ASP- HN 60 ILE HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= 846, 858, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 59 ASP- HN 60 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 871, 872, 873,
&end
#
# 59 ASP- HN 60 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 864, 865, 866,
&end
#
# 60 ILE HA 60 ILE HG12 3.17
&rst
ixpk= 0, nxpk= 0, iat= 860, 868, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 60 ILE HA 60 ILE HG13 3.35
&rst
ixpk= 0, nxpk= 0, iat= 860, 869, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 60 ILE HA 60 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 871, 872, 873,
&end
#
# 60 ILE HA 60 ILE QG2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 864, 865, 866,
&end
#
# 60 ILE HA 61 PRO HD2 2.70
&rst
ixpk= 0, nxpk= 0, iat= 860, 878, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 60 ILE HA 61 PRO HD3 2.69
&rst
ixpk= 0, nxpk= 0, iat= 860, 879, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 60 ILE HA 61 PRO QG 4.28
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 881, 882,
&end
#
# 60 ILE HB 60 ILE QD1 2.85
&rst
ixpk= 0, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 871, 872, 873,
&end
#
# 60 ILE HB 61 PRO HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 862, 878, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 60 ILE HB 61 PRO HD3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 862, 879, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 60 ILE HG12 61 PRO HD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 868, 878, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 60 ILE HG12 61 PRO HD3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 60 ILE HG13 61 PRO HD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 869, 878, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 60 ILE HG13 61 PRO HD3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 869, 879, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 60 ILE HN 60 ILE HB 2.72
&rst
ixpk= 0, nxpk= 0, iat= 858, 862, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 60 ILE HN 60 ILE HG12 3.78
&rst
ixpk= 0, nxpk= 0, iat= 858, 868, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 60 ILE HN 60 ILE HG13 2.91
&rst
ixpk= 0, nxpk= 0, iat= 858, 869, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 60 ILE HN 60 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 871, 872, 873,
&end
#
# 60 ILE HN 60 ILE QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 864, 865, 866,
&end
#
# 60 ILE HN 61 PRO HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 858, 878, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 60 ILE HN 61 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 858, 879, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 ILE QD1 61 PRO HD2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 871, 872, 873,
&end
#
# 60 ILE QD1 61 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 871, 872, 873,
&end
#
# 60 ILE QG2 60 ILE HG12 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 864, 865, 866,
&end
#
# 60 ILE QG2 60 ILE HG13 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 864, 865, 866,
&end
#
# 60 ILE QG2 60 ILE QD1 2.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 864, 865, 866,
igr2= 871, 872, 873,
&end
#
# 60 ILE QG2 61 PRO HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 864, 865, 866,
&end
#
# 60 ILE QG2 61 PRO HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 864, 865, 866,
&end
#
# 60 ILE QG2 61 PRO HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 864, 865, 866,
&end
#
# 60 ILE QG2 61 PRO HD2 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 864, 865, 866,
&end
#
# 60 ILE QG2 61 PRO HD3 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 864, 865, 866,
&end
#
# 60 ILE QG2 61 PRO QB 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 864, 865, 866,
igr2= 884, 885,
&end
#
# 60 ILE QG2 61 PRO QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 864, 865, 866,
igr2= 881, 882,
&end
#
# 60 ILE QG2 62 GLU- HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 864, 865, 866,
&end
#
# 61 PRO HA 62 GLU- HN 2.61
&rst
ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 61 PRO HB2 62 GLU- HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 884, 891, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 61 PRO HB3 62 GLU- HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 885, 891, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 61 PRO QB 62 GLU- HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 884, 885,
&end
#
# 61 PRO QG 62 GLU- HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 881, 882,
&end
#
# 62 GLU- HA 62 GLU- HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 893, 898, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 62 GLU- HA 62 GLU- HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 893, 899, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 62 GLU- HA 62 GLU- QG 3.33
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 898, 899,
&end
#
# 62 GLU- HA 63 GLU- HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 893, 906, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 62 GLU- HA 63 GLU- QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 910, 911,
&end
#
# 62 GLU- HB2 63 GLU- HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 895, 906, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 62 GLU- HB3 63 GLU- HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 62 GLU- HG2 63 GLU- HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 62 GLU- HG3 63 GLU- HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 899, 906, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 62 GLU- HN 62 GLU- HB2 3.10
&rst
ixpk= 0, nxpk= 0, iat= 891, 895, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 62 GLU- HN 62 GLU- HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 891, 896, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 62 GLU- HN 62 GLU- HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 891, 898, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 62 GLU- HN 62 GLU- HG3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 891, 899, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 62 GLU- HN 62 GLU- QG 3.72
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 898, 899,
&end
#
# 62 GLU- HN 63 GLU- HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 891, 906, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 62 GLU- QG 63 GLU- HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 898, 899,
&end
#
# 63 GLU- HA 63 GLU- QG 3.21
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 913, 914,
&end
#
# 63 GLU- HA 64 THR HN 2.67
&rst
ixpk= 0, nxpk= 0, iat= 908, 921, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 63 GLU- HB2 64 THR HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 910, 921, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 63 GLU- HB3 64 THR HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 911, 921, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 63 GLU- HG2 64 THR HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 913, 921, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 63 GLU- HG3 64 THR HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 914, 921, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 63 GLU- HN 63 GLU- HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 63 GLU- HN 63 GLU- HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 906, 911, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 63 GLU- HN 63 GLU- HG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 906, 913, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 63 GLU- HN 63 GLU- HG3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 906, 914, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 63 GLU- HN 63 GLU- QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 910, 911,
&end
#
# 63 GLU- HN 63 GLU- QG 4.60
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 913, 914,
&end
#
# 63 GLU- HN 64 THR HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 906, 921, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 63 GLU- QG 64 THR HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 913, 914,
&end
#
# 64 THR HA 64 THR QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 927, 928, 929,
&end
#
# 64 THR HA 65 TRP HD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 923, 943, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 THR HA 65 TRP HD1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 923, 943, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 64 THR HA 65 TRP HN 2.94
&rst
ixpk= 0, nxpk= 0, iat= 923, 935, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 64 THR HA 65 TRP QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 939, 940,
&end
#
# 64 THR HN 64 THR HB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 921, 925, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 64 THR HN 64 THR QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 927, 928, 929,
&end
#
# 64 THR QG2 65 TRP HD1 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 927, 928, 929,
&end
#
# 64 THR QG2 65 TRP HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 927, 928, 929,
&end
#
# 64 THR QG2 66 THR HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 927, 928, 929,
&end
#
# 65 TRP HA 18 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 937, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 TRP HA 66 THR HN 3.06
&rst
ixpk= 0, nxpk= 0, iat= 937, 959, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 65 TRP HB2 18 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 939, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 TRP HB3 18 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 940, 226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 TRP HB3 18 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 940, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 TRP HD1 73 M3L QQM 5.50
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 65 TRP HE1 73 M3L QQM 5.50
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 65 TRP HE3 18 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 954, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 TRP HE3 73 M3L QQM 5.03
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 65 TRP HN 65 TRP HD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 935, 943, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 65 TRP HN 65 TRP QB 3.27
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 939, 940,
&end
#
# 65 TRP HN 66 THR HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 935, 959, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 65 TRP HZ2 73 M3L QQM 5.17
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 65 TRP HZ3 73 M3L QQM 5.50
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 65 TRP QB 65 TRP HD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 939, 940,
&end
#
# 65 TRP QB 65 TRP HE3 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 939, 940,
&end
#
# 66 THR HA 66 THR QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 965, 966, 967,
&end
#
# 66 THR HN 66 THR QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 965, 966, 967,
&end
#
# 68 LEU HA 68 LEU HG 4.17
&rst
ixpk= 0, nxpk= 0, iat= 982, 987, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 68 LEU HA 68 LEU QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 989, 990, 991,
&end
#
# 68 LEU HA 68 LEU QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 993, 994, 995,
&end
#
# 68 LEU HA 68 LEU QQD 3.10
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 68 LEU HA 69 GLU- HN 3.11
&rst
ixpk= 0, nxpk= 0, iat= 982, 999, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 68 LEU HB2 69 GLU- HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 984, 999, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 68 LEU HB3 69 GLU- HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 985, 999, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 68 LEU HG 69 GLU- HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 987, 999, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 68 LEU HN 68 LEU HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 68 LEU HN 68 LEU HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 980, 985, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 68 LEU HN 68 LEU HG 4.98
&rst
ixpk= 0, nxpk= 0, iat= 980, 987, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 68 LEU HN 68 LEU QB 2.96
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 984, 985,
&end
#
# 68 LEU HN 68 LEU QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 989, 990, 991,
&end
#
# 68 LEU HN 68 LEU QD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 993, 994, 995,
&end
#
# 68 LEU HN 68 LEU QQD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 989, 990, 991, 993, 994, 995,
&end
#
# 68 LEU QB 69 GLU- HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 984, 985,
&end
#
# 68 LEU QD1 69 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 989, 990, 991,
&end
#
# 68 LEU QD2 69 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 993, 994, 995,
&end
#
# 68 LEU QQD 69 GLU- HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 989, 990, 991, 993, 994, 995,
&end
#
# 69 GLU- HN 69 GLU- HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 999,1003, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 69 GLU- HN 69 GLU- HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 999,1004, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 69 GLU- HN 69 GLU- HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 999,1006, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 69 GLU- HN 69 GLU- HG3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 999,1007, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 69 GLU- HN 69 GLU- QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1003,1004,
&end
#
# 69 GLU- HN 69 GLU- QG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1006,1007,
&end
#
# 70 ALA QB 71 ARG+ HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1021,1022,1023,
&end
#
# 70 ALA QB 72 THR QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1021,1022,1023,
igr2=1057,1058,1059,
&end
#
# 71 ARG HA 71 ARG HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1029,1032, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 ARG+ HA 71 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1029,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ARG+ HA 71 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1029,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ARG HA 71 ARG HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1029,1035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 ARG+ HA 71 ARG+ QD 4.70
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1037,1038,
&end
#
# 71 ARG+ HA 72 THR HA 4.67
&rst
ixpk= 0, nxpk= 0, iat=1029,1053, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 71 ARG+ HA 72 THR HN 2.52
&rst
ixpk= 0, nxpk= 0, iat=1029,1051, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 71 ARG+ HB2 72 THR HN 4.04
&rst
ixpk= 0, nxpk= 0, iat=1031,1051, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 71 ARG+ HB3 72 THR HN 3.42
&rst
ixpk= 0, nxpk= 0, iat=1032,1051, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 71 ARG+ HB3 73 M3L HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1032,1065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ARG+ HD2 72 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1037,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ARG+ HD3 72 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1038,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ARG+ HG2 72 THR HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1034,1051, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 71 ARG+ HG3 72 THR HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1035,1051, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 71 ARG HN 70 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1021,1022,1023,
&end
#
# 71 ARG+ QG 72 THR HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1034,1035,
&end
#
# 72 THR HA 72 THR QG2 2.94
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1057,1058,1059,
&end
#
# 72 THR HA 73 M3L HN 2.94
&rst
ixpk= 0, nxpk= 0, iat=1053,1065, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 72 THR HB 73 M3L HN 3.26
&rst
ixpk= 0, nxpk= 0, iat=1055,1065, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 72 THR HB 73 M3L HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1055,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 THR HN 72 THR HB 3.92
&rst
ixpk= 0, nxpk= 0, iat=1051,1055, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 72 THR HN 72 THR QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1057,1058,1059,
&end
#
# 72 THR HN 73 M3L HN 4.59
&rst
ixpk= 0, nxpk= 0, iat=1051,1065, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 72 THR QG2 71 ARG+ HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1057,1058,1059,
&end
#
# 72 THR QG2 73 M3L HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1057,1058,1059,
&end
#
# 72 THR QG2 73 M3L HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1057,1058,1059,
&end
#
# 72 THR QG2 73 M3L HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1057,1058,1059,
&end
#
# 73 M3L HB2 74 GLN HN 3.67
&rst
ixpk= 0, nxpk= 0, iat=1069,1096, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 73 M3L HB3 74 GLN HN 2.91
&rst
ixpk= 0, nxpk= 0, iat=1070,1096, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 73 M3L HD2 73 M3L QQM 3.84
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 73 M3L HD3 73 M3L QQM 3.84
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 73 M3L HE2 74 GLN HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1078,1096, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 73 M3L HE2 75 THR HB 4.75
&rst
ixpk= 0, nxpk= 0, iat=1078,1117, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 73 M3L HG2 74 GLN HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1072,1096, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 73 M3L HG3 74 GLN HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1073,1096, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 73 M3L HN 72 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1057,1058,1059,
&end
#
# 73 M3L HN 73 M3L HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1065,1069, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 73 M3L HN 73 M3L HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat=1065,1070, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 73 M3L HN 73 M3L HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 M3L HN 73 M3L HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1065,1072, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 73 M3L HN 73 M3L HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1065,1073, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 73 M3L HN 73 M3L QG 3.53
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1072,1073,
&end
#
# 73 M3L HN 74 GLN HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=1065,1096, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 73 M3L HN 74 GLN QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1103,1104,
&end
#
# 73 M3L QG 74 GLN HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1072,1073,
&end
#
# 73 M3L QQM 75 THR HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1082,1083,1084,1086,1087,1088,1090,1091,1092,
&end
#
# 74 GLN HA 74 GLN QG 3.66
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1103,1104,
&end
#
# 74 GLN HB2 75 THR HN 4.46
&rst
ixpk= 0, nxpk= 0, iat=1100,1113, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 74 GLN HB3 75 THR HN 4.46
&rst
ixpk= 0, nxpk= 0, iat=1101,1113, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 74 GLN HN 73 M3L HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1096,1067, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLN HN 74 GLN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1096,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLN HN 74 GLN QB 3.21
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1100,1101,
&end
#
# 74 GLN HN 74 GLN QG 3.50
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1103,1104,
&end
#
# 74 GLN HN 75 THR HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1096,1113, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 74 GLN QB 75 THR HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1100,1101,
&end
#
# 74 GLN QG 75 THR HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1103,1104,
&end
#
# 75 THR HA 73 M3L HE2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1115,1078, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 THR HA 76 ALA HN 3.20
&rst
ixpk= 0, nxpk= 0, iat=1115,1127, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 75 THR HB 76 ALA HN 3.70
&rst
ixpk= 0, nxpk= 0, iat=1117,1127, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 75 THR HN 75 THR QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1119,1120,1121,
&end
#
# 75 THR HN 76 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1113,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 THR QG2 75 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1119,1120,1121,
&end
#
# 75 THR QG2 75 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1119,1120,1121,
&end
#
# 75 THR QG2 76 ALA HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1119,1120,1121,
&end
#
# 76 ALA HA 77 ARG+ HN 3.46
&rst
ixpk= 0, nxpk= 0, iat=1129,1137, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 76 ALA HN 76 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1131,1132,1133,
&end
#
# 77 ARG+ HA 77 ARG+ QG 2.91
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1144,1145,
&end
#
# 77 ARG+ HA 78 LYS+ HN 3.37
&rst
ixpk= 0, nxpk= 0, iat=1139,1161, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 77 ARG+ HN 77 ARG+ QB 3.25
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1141,1142,
&end
#
# 77 ARG+ HN 77 ARG+ QG 3.26
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1144,1145,
&end
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