NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
474919 |
2kg0   |
16193 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 40 THR HN 40 THR HB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 585, 589, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 40 THR HB 41 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 589, 599, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 40 THR HB 54 PHE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 589, 783, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 40 THR HB 54 PHE HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 589, 785, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 40 THR HB 53 ALA HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 589, 775, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 40 THR HB 42 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 589, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 THR HB 54 PHE HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 589, 787, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 40 THR HB 54 PHE HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 589, 788, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 39 ILE QG2 40 THR HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 572, 573, 574,
&end
#
# 40 THR HB 89 VAL QG1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1366,1367,1368,
&end
#
# 50 THR HB 52 GLU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 741, 758, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 50 THR HB 51 GLY HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 741, 751, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 50 THR HB 51 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 741, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 THR HB 52 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 741, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 THR HB 52 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 741, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HA 29 PHE HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 373, 424, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 26 VAL HA 29 PHE HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 373, 429, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 26 VAL HA 26 VAL QG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 381, 382, 383,
&end
#
# 26 VAL HA 34 ILE QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 509, 510, 511,
&end
#
# 59 SER HB2 60 GLN HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 870, 877, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 59 SER HB2 62 LEU HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 870, 909, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 58 ALA QB 59 SER HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 860, 861, 862,
&end
#
# 59 SER HB3 61 GLU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 871, 894, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 59 SER HB3 60 GLN HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 871, 877, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 59 SER HB3 62 LEU HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 871, 909, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 58 ALA QB 59 SER HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 860, 861, 862,
&end
#
# 59 SER HB2 61 GLU HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 870, 894, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 59 SER HB2 61 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 870, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 SER HB3 61 GLU HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 871, 898, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 10 PHE HD 85 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 113, 121,
&end
#
# 10 PHE HB3 85 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 SER HB2 86 GLN HN 4.05
&rst
ixpk= 0, nxpk= 0, iat=1306,1313, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 85 SER HB2 87 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1306,1330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 SER HB2 88 GLU HN 5.35
&rst
ixpk= 0, nxpk= 0, iat=1306,1345, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 85 SER HB2 86 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1306,1315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 SER HB2 87 GLU QB 4.71
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1334,1335,
&end
#
# 6 ALA QB 85 SER HB2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 66, 67, 68,
&end
#
# 10 PHE HD 85 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 113, 121,
&end
#
# 85 SER HB3 86 GLN HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=1307,1313, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 85 SER HB3 87 GLU HN 4.54
&rst
ixpk= 0, nxpk= 0, iat=1307,1330, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 85 SER HB3 88 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1307,1345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 SER HB3 86 GLN HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=1307,1315, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 85 SER HB3 87 GLU QB 4.75
&rst
ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1334,1335,
&end
#
# 6 ALA QB 85 SER HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1307, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 66, 67, 68,
&end
#
# 45 PRO HA 47 GLY HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 670, 689, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 44 ASP HB2 45 PRO HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 652, 670, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 44 ASP HB3 45 PRO HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 653, 670, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 43 VAL QG2 45 PRO HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 642, 643, 644,
&end
#
# 10 PHE HB2 84 SER HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 109,1295, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 54 PHE HD 84 SER HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 791, 799,
&end
#
# 11 VAL HA 84 SER HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 127,1295, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 10 PHE HB3 84 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HB2 84 SER HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 145,1295, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 VAL QG2 84 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 135, 136, 137,
&end
#
# 25 ILE HA 27 GLN HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 354, 387, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 25 ILE HA 28 PHE QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 408, 409,
&end
#
# 24 GLU HB3 25 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 342, 354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ILE HA 25 ILE HG12 4.06
&rst
ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 25 ILE HA 25 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 365, 366, 367,
&end
#
# 25 ILE HA 25 ILE HG13 4.00
&rst
ixpk= 0, nxpk= 0, iat= 354, 363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 ILE HA 74 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1124,1125,1126,
&end
#
# 54 PHE HD 84 SER HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 791, 799,
&end
#
# 11 VAL HA 84 SER HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= 127,1296, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 10 PHE HB2 84 SER HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 109,1296, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 10 PHE HB3 84 SER HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 110,1296, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 11 VAL QG2 84 SER HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 135, 136, 137,
&end
#
# 12 ARG HB2 84 SER HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 145,1296, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 88 GLU HB3 89 VAL HA 4.60
&rst
ixpk= 0, nxpk= 0, iat=1350,1362, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 89 VAL HA 90 ARG HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=1362,1378, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 86 GLN HA 89 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1315,1362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PRO HA 37 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 541, 549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PRO HA 37 ASN HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 541, 550, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 35 VAL QG2 36 PRO HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 525, 526, 527,
&end
#
# 40 THR QG2 91 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 591, 592, 593,
&end
#
# 91 SER HA 91 SER HB3 2.93
&rst
ixpk= 0, nxpk= 0, iat=1402,1405, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 91 SER HN 91 SER HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat=1400,1405, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 91 SER HB3 92 TYR HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1405,1411, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 42 PRO HA 43 VAL HN 2.92
&rst
ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 28 PHE HN 30 SER HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 404, 448, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 29 PHE HN 30 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER HB2 31 GLY HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 448, 455, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 30 SER HB3 32 LEU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 449, 462, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 50 THR HA 52 GLU HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 739, 758, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 50 THR HA 51 GLY HA2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 739, 753, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 49 ILE QG2 50 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 724, 725, 726,
&end
#
# 26 VAL QG2 30 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 381, 382, 383,
&end
#
# 28 PHE QB 74 ILE HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 408, 409,
&end
#
# 73 ARG HB3 74 ILE HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=1092,1113, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 74 ILE HA 74 ILE HG12 4.17
&rst
ixpk= 0, nxpk= 0, iat=1113,1121, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 74 ILE HA 74 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1117,1118,1119,
&end
#
# 73 ARG HA 74 ILE HA 5.28
&rst
ixpk= 0, nxpk= 0, iat=1089,1113, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 30 SER HB3 31 GLY HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 449, 455, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 30 SER HN 30 SER HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat= 444, 449, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 27 GLN QB 30 SER HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 391, 392,
&end
#
# 50 THR HA 51 GLY HA3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 739, 754, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 74 ILE HA 79 ILE QD1 5.49
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1212,1213,1214,
&end
#
# 40 THR HA 54 PHE HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 587, 783, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 40 THR HA 54 PHE HD 5.49
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 791, 799,
&end
#
# 22 LYS HE2 40 THR HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 313, 587, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 40 THR HA 89 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1370,1371,1372,
&end
#
# 40 THR HA 41 LEU HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 587, 599, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 40 THR HA 42 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 THR HA 41 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 THR HA 40 THR QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 591, 592, 593,
&end
#
# 43 VAL HA 49 ILE HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= 634, 720, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 17 PRO HA 18 PHE HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 244, 252, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 35 VAL HA 36 PRO HB2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 517, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 35 VAL HA 58 ALA QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 860, 861, 862,
&end
#
# 35 VAL HA 36 PRO HG3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 517, 536, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 35 VAL HA 36 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 VAL HA 35 VAL QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 521, 522, 523,
&end
#
# 35 VAL HA 35 VAL QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 525, 526, 527,
&end
#
# 22 LYS HA 26 VAL HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 302, 371, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 22 LYS HA 24 GLU HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 302, 337, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 22 LYS HA 22 LYS HE2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 302, 313, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 22 LYS HA 22 LYS HG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 302, 307, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 22 LYS HA 22 LYS HG3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 302, 308, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 22 LYS HA 39 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 579, 580, 581,
&end
#
# 22 LYS HA 39 ILE QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 572, 573, 574,
&end
#
# 22 LYS HA 25 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 365, 366, 367,
&end
#
# 22 LYS HA 25 ILE HG13 4.93
&rst
ixpk= 0, nxpk= 0, iat= 302, 363, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 39 ILE HA 39 ILE HG12 4.16
&rst
ixpk= 0, nxpk= 0, iat= 568, 576, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 ILE HA 39 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 579, 580, 581,
&end
#
# 39 ILE HA 39 ILE QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 572, 573, 574,
&end
#
# 39 ILE HA 55 VAL QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 813, 814, 815,
&end
#
# 39 ILE HA 40 THR QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 591, 592, 593,
&end
#
# 20 CYS HA 21 THR HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 277, 286, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 20 CYS HA 25 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 277, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 CYS HA 24 GLU QG 4.15
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 344, 345,
&end
#
# 20 CYS HA 24 GLU HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 277, 341, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 CYS HA 21 THR QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 292, 293, 294,
&end
#
# 28 PHE HA 74 ILE HG12 4.81
&rst
ixpk= 0, nxpk= 0, iat= 406,1121, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 28 PHE HA 74 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 406,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HA 74 ILE QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1124,1125,1126,
&end
#
# 27 GLN HN 28 PHE HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 387, 406, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 30 SER HA 32 LEU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 446, 462, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 29 PHE HA 30 SER HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 426, 446, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 30 SER HA 31 GLY HA3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 446, 458, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 34 ILE HA 35 VAL HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 498, 517, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 34 ILE HA 57 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ILE HA 58 ALA HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 498, 856, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 34 ILE HA 57 PHE HD 4.78
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 844, 852,
&end
#
# 34 ILE HA 57 PHE HE 5.27
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 846, 850,
&end
#
# 34 ILE HA 57 PHE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 498, 838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 ILE HA 57 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ILE HA 58 ALA QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 860, 861, 862,
&end
#
# 34 ILE HA 34 ILE QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 502, 503, 504,
&end
#
# 34 ILE HA 34 ILE HG13 4.21
&rst
ixpk= 0, nxpk= 0, iat= 498, 507, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 23 GLU HA 25 ILE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 324, 352, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 71 LYS HA 78 TYR HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1052,1182, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 71 LYS HA 78 TYR HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat=1052,1183, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 71 LYS HA 71 LYS HD3 5.10
&rst
ixpk= 0, nxpk= 0, iat=1052,1061, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 26 VAL QG2 30 SER HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 381, 382, 383,
&end
#
# 22 LYS HN 23 GLU HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 300, 324, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 23 GLU HA 26 VAL HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 324, 371, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 23 GLU HA 23 GLU HG3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 324, 330, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 71 LYS HA 79 ILE HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=1052,1199, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 71 LYS HA 80 GLU HA 5.45
&rst
ixpk= 0, nxpk= 0, iat=1052,1220, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 71 LYS HA 81 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 10 PHE HA 11 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HA 83 LYS HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 127,1269, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 11 VAL HA 11 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 135, 136, 137,
&end
#
# 92 TYR HA 92 TYR QB 2.95
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1415,1416,
&end
#
# 21 THR HA 23 GLU HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 288, 322, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 21 THR HA 21 THR QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 292, 293, 294,
&end
#
# 61 GLU HA 64 GLU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 896, 938, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 61 GLU HA 63 ALA HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 896, 928, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 24 GLU HA 24 GLU QG 2.96
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 344, 345,
&end
#
# 18 PHE HA 20 CYS HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 250, 275, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 24 GLU HA 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1124,1125,1126,
&end
#
# 10 PHE HA 63 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 10 PHE HA 11 VAL HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= 107, 125, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 10 PHE HA 56 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE HA 11 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 131, 132, 133,
&end
#
# 10 PHE HA 56 GLN HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 107, 824, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 10 PHE HA 89 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1366,1367,1368,
&end
#
# 43 VAL HA 49 ILE HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 634, 718, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 43 VAL HA 49 ILE QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 724, 725, 726,
&end
#
# 43 VAL HA 43 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 638, 639, 640,
&end
#
# 70 HIS HA 81 VAL HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1035,1233, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 70 HIS HA 81 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1243,1244,1245,
&end
#
# 67 LEU QD2 70 HIS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 70 HIS HA 72 GLU HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=1035,1072, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 18 PHE HA 49 ILE HG13 4.37
&rst
ixpk= 0, nxpk= 0, iat= 250, 729, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 65 LYS HA 67 LEU HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 955, 985, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 65 LYS HA 65 LYS QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 966, 967,
&end
#
# 65 LYS HA 65 LYS HG3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 955, 961, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 65 LYS HA 67 LEU QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 994, 995, 996,
&end
#
# 64 GLU HA 67 LEU HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 940, 985, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 64 GLU HA 64 GLU HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 940, 943, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 64 GLU HA 67 LEU HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 940, 990, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 60 GLN HA 64 GLU HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 879, 938, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 60 GLN HA 62 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 879, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLN HA 60 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 879, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASP QB 60 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 90, 91,
&end
#
# 64 GLU HA 83 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1282,1283,
&end
#
# 86 GLN HN 87 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1313,1332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 GLU HA 57 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 844, 852,
&end
#
# 33 GLU HA 34 ILE HN 3.08
&rst
ixpk= 0, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 33 GLU HA 34 ILE HG12 4.55
&rst
ixpk= 0, nxpk= 0, iat= 483, 506, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 33 GLU HA 62 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 918, 919, 920,
&end
#
# 33 GLU HA 34 ILE QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 509, 510, 511,
&end
#
# 9 GLY HN 60 GLN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 98, 879, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 60 GLN HA 63 ALA HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 879, 930, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 60 GLN HA 83 LYS QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1282,1283,
&end
#
# 88 GLU HA 88 GLU QG 3.76
&rst
ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1352,1353,
&end
#
# 82 PHE HN 83 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1249,1271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS HA 84 SER HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat=1271,1296, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 82 PHE HB3 83 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1254,1271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL QG2 83 LYS HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 135, 136, 137,
&end
#
# 67 LEU QD2 83 LYS HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 998, 999,1000,
&end
#
# 33 GLU HA 34 ILE HG13 5.07
&rst
ixpk= 0, nxpk= 0, iat= 483, 507, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 10 PHE HB3 86 GLN HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 110,1315, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 86 GLN HA 86 GLN HNE1 4.75
&rst
ixpk= 0, nxpk= 0, iat=1315,1325, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 10 PHE HD 86 GLN HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 113, 121,
&end
#
# 85 SER HA 86 GLN HA 5.20
&rst
ixpk= 0, nxpk= 0, iat=1304,1315, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 86 GLN HA 86 GLN HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1315,1321, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 86 GLN HA 89 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1366,1367,1368,
&end
#
# 27 GLN HA 29 PHE HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 389, 424, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 27 GLN HA 30 SER HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 389, 444, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 27 GLN HA 27 GLN QB 2.95
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 391, 392,
&end
#
# 26 VAL QG2 27 GLN HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 381, 382, 383,
&end
#
# 14 ARG HN 79 ILE HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 184,1201, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 79 ILE HA 79 ILE QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1205,1206,1207,
&end
#
# 79 ILE HA 79 ILE QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1212,1213,1214,
&end
#
# 61 GLU HN 62 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 894, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 SER HA 86 GLN HN 3.57
&rst
ixpk= 0, nxpk= 0, iat=1304,1313, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 10 PHE HN 85 SER HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 105,1304, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 85 SER HA 88 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1304,1345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ALA QB 85 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 66, 67, 68,
&end
#
# 71 LYS HN 72 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1050,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLU HA 73 ARG HN 3.39
&rst
ixpk= 0, nxpk= 0, iat=1074,1087, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 28 PHE HZ 72 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 416,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLU HA 73 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1074,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLU HA 72 GLU HG3 3.65
&rst
ixpk= 0, nxpk= 0, iat=1074,1080, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 72 GLU HA 73 ARG HG2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1074,1094, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 72 GLU HA 73 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1074,1095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE HA 80 GLU QB 5.01
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1222,1223,
&end
#
# 67 LEU HA 69 LYS HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 987,1011, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 67 LEU HA 81 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1243,1244,1245,
&end
#
# 62 LEU HA 66 ALA HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 911, 975, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 62 LEU HA 65 LYS HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 911, 961, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 62 LEU HA 66 ALA QB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 979, 980, 981,
&end
#
# 53 ALA HA 54 PHE HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 775, 785, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 54 PHE HA 55 VAL HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 785, 803, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 53 ALA QB 54 PHE HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 777, 778, 779,
&end
#
# 11 VAL QG1 54 PHE HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 131, 132, 133,
&end
#
# 72 GLU QB 73 ARG HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1076,1077,
&end
#
# 73 ARG HA 73 ARG HG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 73 ARG HA 74 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1117,1118,1119,
&end
#
# 73 ARG HA 79 ILE HN 4.48
&rst
ixpk= 0, nxpk= 0, iat=1089,1199, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 73 ARG HA 78 TYR HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1089,1182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ARG HA 78 TYR HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat=1089,1183, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 73 ARG HA 79 ILE HG12 4.86
&rst
ixpk= 0, nxpk= 0, iat=1089,1209, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 85 SER HA 86 GLN HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat=1304,1318, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 71 LYS HB2 72 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1054,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PHE HA 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 813, 814, 815,
&end
#
# 11 VAL HN 54 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ARG HA 73 ARG HD3 4.93
&rst
ixpk= 0, nxpk= 0, iat=1089,1098, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 29 PHE HA 57 PHE HE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 846, 850,
&end
#
# 29 PHE HA 69 LYS HG3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 426,1019, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 29 PHE HA 66 ALA QB 5.09
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 979, 980, 981,
&end
#
# 90 ARG HA 92 TYR HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1378,1411, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 89 VAL QG2 90 ARG HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1370,1371,1372,
&end
#
# 46 GLU HA 47 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 676, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE HB3 84 SER HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 110,1293, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 48 LYS HA 49 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 698, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS HD3 84 SER HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=1280,1293, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 47 GLY HA3 48 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LYS HA 49 ILE HN 3.02
&rst
ixpk= 0, nxpk= 0, iat= 698, 718, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 48 LYS HA 49 ILE HG13 4.67
&rst
ixpk= 0, nxpk= 0, iat= 698, 729, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 48 LYS HA 48 LYS HG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 698, 703, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 48 LYS HA 48 LYS HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 698, 704, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 VAL QG1 48 LYS HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 638, 639, 640,
&end
#
# 65 LYS HB3 66 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 958, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 PHE HE 66 ALA HA 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 434, 438,
&end
#
# 29 PHE HD 66 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 432, 440,
&end
#
# 57 PHE HE 66 ALA HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 846, 850,
&end
#
# 66 ALA HA 67 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 977, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LYS HB2 66 ALA HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= 957, 977, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 37 ASN HA 38 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 547, 561, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LYS HA 72 GLU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=1013,1072, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 29 PHE HE 69 LYS HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 434, 438,
&end
#
# 69 LYS HA 70 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1013,1037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LYS HA 69 LYS HE2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1013,1024, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 69 LYS HA 72 GLU HG2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1013,1079, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 69 LYS HA 69 LYS HG3 3.54
&rst
ixpk= 0, nxpk= 0, iat=1013,1019, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 29 PHE HA 66 ALA HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 426, 977, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 82 PHE HA 83 LYS HN 3.18
&rst
ixpk= 0, nxpk= 0, iat=1251,1269, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 82 PHE HA 83 LYS HA 4.97
&rst
ixpk= 0, nxpk= 0, iat=1251,1271, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 82 PHE HA 83 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1251,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 VAL QG2 82 PHE HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1243,1244,1245,
&end
#
# 37 ASN HA 38 GLY HA3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 28 PHE HE 69 LYS HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 414, 418,
&end
#
# 57 PHE HN 63 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ALA HA 65 LYS HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 930, 953, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 57 PHE HD 63 ALA HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 844, 852,
&end
#
# 57 PHE HE 63 ALA HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 846, 850,
&end
#
# 63 ALA HA 64 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 930, 940, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 PHE HB3 63 ALA HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 841, 930, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 62 LEU QD1 63 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 918, 919, 920,
&end
#
# 11 VAL QG1 63 ALA HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 131, 132, 133,
&end
#
# 63 ALA HA 66 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 979, 980, 981,
&end
#
# 14 ARG HN 52 GLU HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= 184, 760, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 16 LEU HN 52 GLU HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 215, 760, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 52 GLU HA 52 GLU HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 760, 766, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 52 GLU HA 53 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 777, 778, 779,
&end
#
# 16 LEU QD1 52 GLU HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 224, 225, 226,
&end
#
# 36 PRO HA 37 ASN HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 541, 547, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 35 VAL HA 58 ALA HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 517, 858, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 8 ASP HA 9 GLY HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 88, 98, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 57 PHE HN 58 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 VAL HN 58 ALA HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 515, 858, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 57 PHE HB2 58 ALA HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 840, 858, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 57 PHE HB3 58 ALA HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 841, 858, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 35 VAL HB 58 ALA HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 519, 858, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 58 ALA HA 62 LEU HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 858, 913, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 58 ALA HA 62 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 858, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 12 ARG HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 125, 143, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 12 ARG HA 13 LEU HN 3.35
&rst
ixpk= 0, nxpk= 0, iat= 143, 165, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 12 ARG HA 54 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 785, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 VAL HA 12 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 127, 143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HA 84 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 143,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HA 12 ARG HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 143, 151, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 11 VAL HB 12 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 129, 143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HA 12 ARG HD3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 143, 152, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 32 LEU HA 62 LEU QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 918, 919, 920,
&end
#
# 10 PHE HB3 56 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLN HA 56 GLN HNE2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 821, 832, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 9 GLY HA2 56 GLN HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 100, 821, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 56 GLN HA 56 GLN HG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 821, 826, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 56 GLN HA 56 GLN HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 821, 827, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 16 LEU HA 74 ILE QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1117,1118,1119,
&end
#
# 16 LEU HA 74 ILE QD1 5.44
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1124,1125,1126,
&end
#
# 16 LEU HA 17 PRO HD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 217, 235, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 16 LEU HA 17 PRO HD3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 217, 236, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 16 LEU HA 20 CYS HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 217, 279, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 16 LEU HA 17 PRO HG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 217, 238, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 16 LEU HA 17 PRO HG3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 217, 239, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 16 LEU HA 79 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1212,1213,1214,
&end
#
# 7 ASN HA 7 ASN HND2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 74, 82, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 7 ASN HA 60 GLN HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 74, 882, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 7 ASN HA 8 ASP HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 74, 86, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 7 ASN HA 7 ASN HND1 5.20
&rst
ixpk= 0, nxpk= 0, iat= 74, 81, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 7 ASN HA 60 GLN HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 74, 881, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 6 ALA HA 7 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ALA QB 7 ASN HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 66, 67, 68,
&end
#
# 6 ALA HA 7 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 64, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ALA HA 85 SER HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 64,1304, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 6 ALA HA 85 SER HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 64,1306, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 6 ALA HA 7 ASN HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 64, 77, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 77 ARG HA 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 77 ARG HA 78 TYR HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1186,1195,
&end
#
# 77 ARG HA 78 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1188,1193,
&end
#
# 77 ARG HA 78 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1156,1183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ARG HA 77 ARG HD2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1156,1164, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 77 ARG HA 77 ARG HD3 4.81
&rst
ixpk= 0, nxpk= 0, iat=1156,1165, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 13 LEU HA 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 167, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU HA 81 VAL HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= 167,1235, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 LEU HA 14 ARG HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 167, 188, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 13 LEU HA 81 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1239,1240,1241,
&end
#
# 12 ARG HA 13 LEU HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 143, 167, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 13 LEU HA 13 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 174, 175, 176,
&end
#
# 41 LEU HA 54 PHE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 601, 783, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 41 LEU HA 54 PHE HD 5.26
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 791, 799,
&end
#
# 41 LEU HA 53 ALA HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 601, 775, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 40 THR HA 41 LEU HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 41 LEU HA 42 PRO HD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 601, 619, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 41 LEU HA 42 PRO HD3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 601, 620, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 41 LEU HA 42 PRO HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 601, 625, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 41 LEU HA 42 PRO HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 601, 622, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 41 LEU HA 53 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 777, 778, 779,
&end
#
# 41 LEU HA 41 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 612, 613, 614,
&end
#
# 44 ASP HN 45 PRO HD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 648, 661, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 44 ASP HA 45 PRO HD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 650, 661, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 44 ASP HB2 45 PRO HD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 652, 661, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 44 ASP HA 45 PRO HD3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 650, 662, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 44 ASP HB2 45 PRO HD3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 652, 662, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 13 LEU HN 53 ALA HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 165, 775, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 53 ALA HA 54 PHE HD 4.53
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 791, 799,
&end
#
# 42 PRO HD2 53 ALA HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= 619, 775, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 42 PRO HD3 53 ALA HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 620, 775, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 53 ALA HA 54 PHE HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 775, 788, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 42 PRO HG2 53 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 622, 775, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU QD2 53 ALA HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 612, 613, 614,
&end
#
# 41 LEU HN 42 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 599, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PRO HD2 54 PHE HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 619, 783, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 42 PRO HD2 43 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 619, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PRO HD2 54 PHE HD 5.32
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 791, 799,
&end
#
# 40 THR QG2 42 PRO HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 591, 592, 593,
&end
#
# 41 LEU QD2 42 PRO HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 612, 613, 614,
&end
#
# 41 LEU HN 42 PRO HD3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 599, 620, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 42 PRO HD3 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 620, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PRO HD3 54 PHE HD 4.85
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 791, 799,
&end
#
# 41 LEU HG 42 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 606, 620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 THR QG2 42 PRO HD3 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 591, 592, 593,
&end
#
# 41 LEU QD2 42 PRO HD3 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 612, 613, 614,
&end
#
# 35 VAL HN 36 PRO HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 515, 532, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 35 VAL HA 36 PRO HD2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 517, 532, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 35 VAL HA 36 PRO HD3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 517, 533, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 35 VAL QG2 36 PRO HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 525, 526, 527,
&end
#
# 17 PRO HD2 79 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1212,1213,1214,
&end
#
# 17 PRO HD2 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1124,1125,1126,
&end
#
# 17 PRO HD2 74 ILE QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1117,1118,1119,
&end
#
# 17 PRO HD3 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1124,1125,1126,
&end
#
# 17 PRO HD3 20 CYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HD3 20 CYS HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 236, 279, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 16 LEU HG 17 PRO HD3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 16 LEU HB3 17 PRO HD3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 220, 236, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 17 PRO HD3 74 ILE QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1117,1118,1119,
&end
#
# 16 LEU QD2 17 PRO HD3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 228, 229, 230,
&end
#
# 17 PRO HD3 79 ILE QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1212,1213,1214,
&end
#
# 75 GLY HA3 77 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1133,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE QG2 75 GLY HA3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1117,1118,1119,
&end
#
# 35 VAL HB 38 GLY HA2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 519, 561, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 38 GLY HA2 56 GLN HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 561, 819, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 38 GLY HA2 56 GLN HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 561, 823, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 35 VAL HB 38 GLY HA3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 519, 562, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 38 GLY HA3 56 GLN HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 562, 823, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 38 GLY HA3 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 813, 814, 815,
&end
#
# 68 GLY HA2 70 HIS HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=1006,1033, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 67 LEU HN 68 GLY HA2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 985,1006, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 67 LEU HB2 68 GLY HA2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 989,1006, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 67 LEU HB2 68 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 GLY HA3 70 HIS HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=1007,1033, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 67 LEU HN 68 GLY HA3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 985,1007, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 67 LEU HB3 68 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 990,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASP QB 9 GLY HA2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 90, 91,
&end
#
# 9 GLY HA2 56 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 100, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLY HA3 57 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 844, 852,
&end
#
# 8 ASP HA 9 GLY HA3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 88, 101, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 9 GLY HA3 60 GLN HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 101, 879, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 9 GLY HA3 63 ALA QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 932, 933, 934,
&end
#
# 9 GLY HA3 56 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLU QG 47 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 681, 682,
&end
#
# 46 GLU HB3 47 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 679, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLY HA3 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 46 GLU HB3 47 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 679, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 VAL QG2 47 GLY HA3 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 642, 643, 644,
&end
#
# 16 LEU QD1 51 GLY HA2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 224, 225, 226,
&end
#
# 19 GLY HA3 49 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 731, 732, 733,
&end
#
# 31 GLY HA3 32 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 458, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ILE QD1 51 GLY HA2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 731, 732, 733,
&end
#
# 16 LEU HN 51 GLY HA2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 215, 753, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 19 GLY HA3 20 CYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 271, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HN 51 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 215, 754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 LEU QD1 51 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 224, 225, 226,
&end
#
# 14 ARG HD2 15 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG HA 14 ARG HD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 186, 194, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 14 ARG HA 14 ARG HD3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 186, 195, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 13 LEU HB2 81 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU HB2 16 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 224, 225, 226,
&end
#
# 13 LEU HB2 79 ILE QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1205,1206,1207,
&end
#
# 13 LEU HB3 53 ALA HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 170, 773, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 41 LEU HB2 42 PRO HD2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 603, 619, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 41 LEU HB2 49 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 603, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU HB3 42 PRO HD3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 604, 620, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 12 ARG HN 12 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HD2 13 LEU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 12 ARG HD2 84 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 151,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 THR HA 41 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HE2 41 LEU HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 313, 603, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 22 LYS HE3 41 LEU HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 314, 603, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 41 LEU HB2 49 ILE QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 724, 725, 726,
&end
#
# 41 LEU HB2 42 PRO HD3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 603, 620, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 41 LEU HB3 42 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 604, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU HN 41 LEU HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 599, 604, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 22 LYS HE2 41 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 313, 604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HE3 41 LEU HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 314, 604, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 41 LEU HB3 41 LEU QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 608, 609, 610,
&end
#
# 90 ARG HB2 90 ARG QD 3.45
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1386,1387,
&end
#
# 73 ARG HN 73 ARG HD3 5.11
&rst
ixpk= 0, nxpk= 0, iat=1087,1098, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 73 ARG HD3 74 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1098,1111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HB2 33 GLU HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 29 PHE HD 32 LEU HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 432, 440,
&end
#
# 32 LEU HB2 57 PHE HD 5.31
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 844, 852,
&end
#
# 32 LEU HB2 57 PHE HE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 846, 850,
&end
#
# 29 PHE HA 32 LEU HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 426, 466, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 29 PHE HB2 32 LEU HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 428, 466, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 32 LEU HB2 62 LEU QD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 922, 923, 924,
&end
#
# 32 LEU HB2 66 ALA QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 979, 980, 981,
&end
#
# 12 ARG HN 82 PHE HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 141,1253, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 82 PHE HB2 83 LYS HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat=1253,1273, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 12 ARG HB2 82 PHE HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 145,1253, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 12 ARG HG2 82 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148,1253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU QD2 82 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 12 ARG HB2 82 PHE HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 145,1254, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 12 ARG HG2 82 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148,1254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PHE HB3 32 LEU HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 429, 466, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 32 LEU HB3 57 PHE HD 4.78
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 844, 852,
&end
#
# 32 LEU HB3 33 GLU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 467, 481, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 32 LEU HB3 57 PHE HE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 846, 850,
&end
#
# 29 PHE HB2 32 LEU HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 428, 467, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 32 LEU HB3 32 LEU QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 471, 472, 473,
&end
#
# 22 LYS HG3 22 LYS HE2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 32 LEU QD2 62 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 475, 476, 477,
&end
#
# 57 PHE HD 62 LEU HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 844, 852,
&end
#
# 57 PHE HB2 62 LEU HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 840, 913, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 62 LEU HB2 63 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 58 ALA HN 62 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 856, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LEU HB3 63 ALA HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 914, 928, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 57 PHE HA 62 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 PHE HB3 62 LEU HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 841, 914, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 58 ALA QB 62 LEU HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 860, 861, 862,
&end
#
# 83 LYS QE 84 SER HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1282,1283,
&end
#
# 7 ASN HA 83 LYS QE 4.97
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1282,1283,
&end
#
# 83 LYS HB2 83 LYS QE 4.11
&rst
ixpk= 0, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1282,1283,
&end
#
# 67 LEU QD1 83 LYS QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 994, 995, 996,
igr2=1282,1283,
&end
#
# 22 LYS HN 22 LYS HE2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 22 LYS HE2 39 ILE QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 579, 580, 581,
&end
#
# 22 LYS HE3 25 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 365, 366, 367,
&end
#
# 22 LYS HN 22 LYS HE3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 300, 314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 22 LYS HE3 39 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HE3 40 THR HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 314, 587, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 22 LYS HE3 41 LEU HG 5.46
&rst
ixpk= 0, nxpk= 0, iat= 314, 606, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 22 LYS HG3 22 LYS HE3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 308, 314, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 22 LYS HE3 39 ILE QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 579, 580, 581,
&end
#
# 34 ILE HA 57 PHE HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 498, 840, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 63 ALA QB 83 LYS QE 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 932, 933, 934,
igr2=1282,1283,
&end
#
# 34 ILE QG2 57 PHE HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 502, 503, 504,
&end
#
# 65 LYS HN 65 LYS QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 966, 967,
&end
#
# 61 GLU QG 65 LYS QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 901, 902,
igr2= 966, 967,
&end
#
# 65 LYS HB2 65 LYS QE 4.34
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 966, 967,
&end
#
# 65 LYS HB3 65 LYS QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 966, 967,
&end
#
# 65 LYS HG2 65 LYS QE 3.10
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 966, 967,
&end
#
# 65 LYS HG3 65 LYS QE 3.65
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 966, 967,
&end
#
# 62 LEU QD2 65 LYS QE 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 922, 923, 924,
igr2= 966, 967,
&end
#
# 32 LEU QD2 65 LYS QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 475, 476, 477,
igr2= 966, 967,
&end
#
# 8 ASP QB 60 GLN HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 90, 91,
&end
#
# 10 PHE HB2 11 VAL HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 109, 125, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 57 PHE HB2 59 SER HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 840, 866, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 57 PHE HB2 62 LEU HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 840, 914, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 8 ASP QB 10 PHE HE 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 90, 91,
igr2= 115, 119,
&end
#
# 10 PHE HB2 11 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 109, 127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLN HA 57 PHE HB3 5.43
&rst
ixpk= 0, nxpk= 0, iat= 821, 841, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 9 GLY HA3 57 PHE HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 101, 841, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 57 PHE HB3 62 LEU HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 841, 913, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 57 PHE HB3 62 LEU QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 918, 919, 920,
&end
#
# 10 PHE HB3 89 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1366,1367,1368,
&end
#
# 29 PHE HE 69 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 434, 438,
&end
#
# 29 PHE HD 69 LYS HE2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 432, 440,
&end
#
# 28 PHE HE 69 LYS HE2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 414, 418,
&end
#
# 29 PHE HA 69 LYS HE2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 426,1024, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 69 LYS HB3 69 LYS HE2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1016,1024, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 32 LEU QD1 69 LYS HE2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 471, 472, 473,
&end
#
# 70 HIS HD2 71 LYS QE 4.94
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1063,1064,
&end
#
# 71 LYS QE 78 TYR HE 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1063,1064,
igr2=1188,1193,
&end
#
# 71 LYS HA 71 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 71 LYS HB3 71 LYS QE 4.90
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1063,1064,
&end
#
# 71 LYS HG2 71 LYS QE 4.22
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1063,1064,
&end
#
# 69 LYS HN 69 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1011,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PHE HE 69 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 434, 438,
&end
#
# 29 PHE HD 69 LYS HE3 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 432, 440,
&end
#
# 28 PHE HE 69 LYS HE3 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 414, 418,
&end
#
# 28 PHE HD 69 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 412, 420,
&end
#
# 29 PHE HA 69 LYS HE3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 426,1025, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 28 PHE HA 69 LYS HE3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 406,1025, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 66 ALA HA 69 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 977,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LYS HB2 69 LYS HE3 5.41
&rst
ixpk= 0, nxpk= 0, iat=1015,1025, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 69 LYS HB3 69 LYS HE3 4.84
&rst
ixpk= 0, nxpk= 0, iat=1016,1025, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 69 LYS HG3 69 LYS HE3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1019,1025, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 32 LEU QD1 69 LYS HE3 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 471, 472, 473,
&end
#
# 69 LYS HB2 69 LYS HE2 5.25
&rst
ixpk= 0, nxpk= 0, iat=1015,1024, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 48 LYS HA 48 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 698, 710, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ARG HD2 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 77 ARG HD2 78 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1164,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HA 77 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 244,1164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE QG2 77 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1117,1118,1119,
&end
#
# 16 LEU HB2 17 PRO HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 219, 244, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 16 LEU HB2 17 PRO HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 219, 235, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 16 LEU HB2 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 16 LEU HB2 20 CYS HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 219, 279, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 16 LEU HB3 17 PRO HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 220, 235, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 16 LEU HB3 20 CYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 220, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU HB2 69 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 989,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU HB3 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 990,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HB3 20 CYS HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 220, 280, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 28 PHE HD 74 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 412, 420,
&end
#
# 73 ARG HA 74 ILE HB 5.36
&rst
ixpk= 0, nxpk= 0, iat=1089,1115, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 16 LEU HA 74 ILE HB 5.22
&rst
ixpk= 0, nxpk= 0, iat= 217,1115, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 17 PRO HD2 74 ILE HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= 235,1115, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 74 ILE HB 79 ILE HG12 5.02
&rst
ixpk= 0, nxpk= 0, iat=1115,1209, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 74 ILE HB 79 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1212,1213,1214,
&end
#
# 74 ILE HB 74 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1124,1125,1126,
&end
#
# 74 ILE HB 75 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HD3 74 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE QB 74 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 409,
&end
#
# 17 PRO HG2 74 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASP HB2 45 PRO HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 652, 667, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 44 ASP HB2 45 PRO HG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 652, 664, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 44 ASP HB3 45 PRO HD2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 653, 661, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 44 ASP HB3 45 PRO HD3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 653, 662, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 44 ASP HB3 47 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 653, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASP HB3 48 LYS HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= 653, 696, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 44 ASP HB3 46 GLU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 653, 674, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 43 VAL HB 44 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 636, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU HB2 68 GLY HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 989,1004, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 67 LEU HB2 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 989,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU HN 67 LEU HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 67 LEU HB2 81 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 67 LEU HB3 69 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 990,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU HB3 68 GLY HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 990,1004, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 67 LEU HB3 68 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 990,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU HB3 67 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 998, 999,1000,
&end
#
# 39 ILE HB 55 VAL HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= 570, 805, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 22 LYS HA 39 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HE2 39 ILE HB 5.48
&rst
ixpk= 0, nxpk= 0, iat= 313, 570, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 22 LYS HE3 39 ILE HB 4.93
&rst
ixpk= 0, nxpk= 0, iat= 314, 570, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 22 LYS HG3 39 ILE HB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 308, 570, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 39 ILE HB 39 ILE QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 579, 580, 581,
&end
#
# 39 ILE HB 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 813, 814, 815,
&end
#
# 25 ILE HB 39 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, 570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ILE HN 34 ILE HB 3.53
&rst
ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 34 ILE HB 35 VAL HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 34 ILE HB 57 PHE HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 500, 838, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 27 GLN QB 28 PHE QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 391, 392,
igr2= 408, 409,
&end
#
# 25 ILE QG2 28 PHE QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 358, 359, 360,
igr2= 408, 409,
&end
#
# 7 ASN HB2 8 ASP HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 76, 86, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 78 TYR HB2 79 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1182,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ARG HG2 78 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1094,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ARG HG3 78 TYR HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1095,1182, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 73 ARG HG3 78 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1095,1183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ALA QB 7 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 66, 67, 68,
&end
#
# 7 ASN HB3 8 ASP HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 77, 86, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 6 ALA QB 7 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 66, 67, 68,
&end
#
# 71 LYS HG2 78 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1057,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 GLU HN 78 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1072,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ARG HG2 78 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1094,1183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 TYR HB3 79 ILE HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=1183,1199, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 29 PHE HB3 30 SER HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 429, 446, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 79 ILE HA 80 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1201,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 TYR HD 80 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1186,1195,
&end
#
# 29 PHE HB3 57 PHE HE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 846, 850,
&end
#
# 29 PHE HB3 32 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 429, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ILE QG2 29 PHE HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 358, 359, 360,
&end
#
# 29 PHE HB3 34 ILE QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 509, 510, 511,
&end
#
# 78 TYR HD 80 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1186,1195,
&end
#
# 21 THR HN 24 GLU QG 4.55
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 344, 345,
&end
#
# 80 GLU HN 80 GLU HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat=1218,1226, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 24 GLU QG 25 ILE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 344, 345,
&end
#
# 24 GLU QG 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 344, 345,
&end
#
# 37 ASN HB2 39 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 549, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HZ 72 GLU HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 416,1079, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 28 PHE HE 72 GLU HG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 414, 418,
&end
#
# 24 GLU HN 25 ILE HB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 337, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 25 ILE HB 26 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 377, 378, 379,
&end
#
# 18 PHE HB2 19 GLY HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 252, 268, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 37 ASN HB2 38 GLY HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 549, 559, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 37 ASN HB3 38 GLY HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 36 PRO HB3 37 ASN HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 539, 550, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 18 PHE HB3 19 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 253, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 VAL HA 49 ILE HB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 634, 722, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 49 ILE HB 50 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 743, 744, 745,
&end
#
# 23 GLU HG2 26 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 377, 378, 379,
&end
#
# 23 GLU HG2 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 329, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HG2 24 GLU HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 329, 337, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 23 GLU HA 23 GLU HG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 87 GLU HN 88 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1352,1353,
&end
#
# 88 GLU HN 88 GLU QG 4.36
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1352,1353,
&end
#
# 54 PHE HD 88 GLU QG 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 791, 799,
igr2=1352,1353,
&end
#
# 88 GLU QG 89 VAL HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1352,1353,
&end
#
# 88 GLU QG 89 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1352,1353,
igr2=1366,1367,1368,
&end
#
# 72 GLU HG2 73 ARG HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=1079,1087, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 72 GLU HN 72 GLU HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1072,1079, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 72 GLU HA 72 GLU HG2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1074,1079, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 LYS HG3 72 GLU HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat=1019,1079, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 23 GLU HN 23 GLU HG3 4.26
&rst
ixpk= 0, nxpk= 0, iat= 322, 330, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 25 ILE HB 39 ILE QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 572, 573, 574,
&end
#
# 28 PHE HZ 72 GLU HG3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 416,1080, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 72 GLU HG3 73 ARG HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1080,1087, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 28 PHE HE 72 GLU HG3 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 414, 418,
&end
#
# 69 LYS HA 72 GLU HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat=1013,1080, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 23 GLU HB3 23 GLU HG3 2.93
&rst
ixpk= 0, nxpk= 0, iat= 327, 330, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 61 GLU QG 62 LEU HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 901, 902,
&end
#
# 61 GLU HA 61 GLU QG 3.83
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 901, 902,
&end
#
# 61 GLU QG 65 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 901, 902,
&end
#
# 46 GLU QG 48 LYS HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 681, 682,
&end
#
# 46 GLU HB3 46 GLU QG 2.59
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 681, 682,
&end
#
# 64 GLU HN 64 GLU HG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 938, 945, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 60 GLN HNE1 64 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 889, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 GLU HG2 65 LYS HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 945, 953, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 63 ALA HN 64 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 928, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLN HNE2 64 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 890, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 GLU HA 64 GLU HG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 940, 945, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 64 GLU HG2 83 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1282,1283,
&end
#
# 63 ALA QB 64 GLU HG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 932, 933, 934,
&end
#
# 64 GLU HG2 67 LEU QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 994, 995, 996,
&end
#
# 64 GLU HN 64 GLU HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 938, 946, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 64 GLU HG3 83 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1282,1283,
&end
#
# 60 GLN HNE2 64 GLU HG3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 890, 946, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 33 GLU HG2 34 ILE HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 488, 496, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 33 GLU HN 33 GLU HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 481, 488, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 GLU HG2 58 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 860, 861, 862,
&end
#
# 33 GLU HN 33 GLU HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 481, 489, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 33 GLU HG3 58 ALA HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 489, 858, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 11 VAL HB 57 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 844, 852,
&end
#
# 33 GLU HG2 34 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 502, 503, 504,
&end
#
# 33 GLU HG3 34 ILE HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 489, 496, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 33 GLU HG3 58 ALA HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 489, 856, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 33 GLU HA 33 GLU HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 483, 489, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 33 GLU HG3 34 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 502, 503, 504,
&end
#
# 43 VAL HB 49 ILE HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 636, 720, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 43 VAL HB 48 LYS HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 636, 698, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 43 VAL HB 48 LYS HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 636, 696, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 43 VAL HN 43 VAL HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 632, 636, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 43 VAL HB 47 GLY HA3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 636, 692, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 43 VAL HB 50 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 743, 744, 745,
&end
#
# 43 VAL HB 49 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 11 VAL HB 55 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 129, 803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HB 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 813, 814, 815,
&end
#
# 11 VAL HB 57 PHE HE 4.65
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 846, 850,
&end
#
# 10 PHE HA 11 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HB 83 LYS HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 129,1271, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 73 ARG HA 79 ILE HB 5.41
&rst
ixpk= 0, nxpk= 0, iat=1089,1203, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 79 ILE HB 81 VAL QG1 5.11
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1239,1240,1241,
&end
#
# 13 LEU QD1 79 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 176,
&end
#
# 74 ILE QD1 79 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1124,1125,1126,
&end
#
# 14 ARG HB2 80 GLU HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 188,1218, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 14 ARG HB2 82 PHE HE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1259,1263,
&end
#
# 14 ARG HB3 15 GLY HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 189, 208, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 14 ARG HB3 82 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1259,1263,
&end
#
# 12 ARG HB2 13 LEU HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 145, 165, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 12 ARG HB2 82 PHE HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 145,1249, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 12 ARG HB2 54 PHE HD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 791, 799,
&end
#
# 11 VAL HA 12 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 127, 145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HB3 82 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 146,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HB3 13 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 146, 165, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 12 ARG HB3 54 PHE HD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 791, 799,
&end
#
# 12 ARG HB3 54 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 146, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HB3 84 SER HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 146,1295, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 12 ARG HB3 82 PHE HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 146,1254, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 11 VAL HN 55 VAL HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 125, 807, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 55 VAL HN 55 VAL HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 803, 807, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 55 VAL HB 56 GLN HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 807, 819, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 29 PHE HE 55 VAL HB 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 434, 438,
&end
#
# 29 PHE HD 55 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 432, 440,
&end
#
# 55 VAL HB 57 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 844, 852,
&end
#
# 55 VAL HB 57 PHE HE 4.63
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 846, 850,
&end
#
# 54 PHE HA 55 VAL HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 785, 807, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 39 ILE HA 55 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 568, 807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HB 55 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 129, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 69 LYS HG3 81 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1019,1237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 LEU QD2 81 VAL HB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 998, 999,1000,
&end
#
# 67 LEU HA 81 VAL HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 987,1237, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 70 HIS HB2 81 VAL HB 4.25
&rst
ixpk= 0, nxpk= 0, iat=1037,1237, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 86 GLN HN 86 GLN HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1313,1320, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 86 GLN HG2 87 GLU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1320,1330, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 86 GLN HG2 92 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1419,1428,
&end
#
# 86 GLN HG2 87 GLU HA 5.06
&rst
ixpk= 0, nxpk= 0, iat=1320,1332, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 86 GLN HG2 90 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1386,1387,
&end
#
# 86 GLN HA 86 GLN HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1315,1320, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 GLN HG2 89 VAL QG1 5.42
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1366,1367,1368,
&end
#
# 86 GLN HN 86 GLN HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat=1313,1321, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 86 GLN HG3 87 GLU HN 4.83
&rst
ixpk= 0, nxpk= 0, iat=1321,1330, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 86 GLN HG3 87 GLU HA 5.04
&rst
ixpk= 0, nxpk= 0, iat=1321,1332, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 27 GLN QG 28 PHE HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 394, 395,
&end
#
# 27 GLN HN 27 GLN QG 3.28
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 394, 395,
&end
#
# 26 VAL HA 27 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 394, 395,
&end
#
# 7 ASN HB2 60 GLN QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 884, 885,
&end
#
# 7 ASN HB3 60 GLN QG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 884, 885,
&end
#
# 60 GLN QG 64 GLU HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 884, 885,
&end
#
# 27 GLN QB 27 GLN QG 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 391, 392,
igr2= 394, 395,
&end
#
# 26 VAL QG2 27 GLN QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 381, 382, 383,
igr2= 394, 395,
&end
#
# 60 GLN QG 83 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 884, 885,
&end
#
# 86 GLN HG3 92 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1419,1428,
&end
#
# 73 ARG HN 73 ARG HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1087,1091, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 73 ARG HB2 73 ARG HD3 4.21
&rst
ixpk= 0, nxpk= 0, iat=1091,1098, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 72 GLU HA 73 ARG HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat=1074,1092, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 73 ARG HB3 74 ILE HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=1092,1111, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 73 ARG HB3 73 ARG HD3 4.18
&rst
ixpk= 0, nxpk= 0, iat=1092,1098, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 60 GLN HN 60 GLN QG 4.88
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 884, 885,
&end
#
# 60 GLN QG 61 GLU HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 884, 885,
&end
#
# 8 ASP HN 60 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 884, 885,
&end
#
# 60 GLN QG 60 GLN HNE2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 884, 885,
&end
#
# 7 ASN HA 60 GLN QG 4.44
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 884, 885,
&end
#
# 9 GLY HA2 60 GLN QG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 884, 885,
&end
#
# 9 GLY HA3 60 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 884, 885,
&end
#
# 60 GLN QG 83 LYS QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 884, 885,
igr2=1282,1283,
&end
#
# 60 GLN QG 63 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 884, 885,
igr2= 932, 933, 934,
&end
#
# 14 ARG HN 80 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1222,1223,
&end
#
# 80 GLU QB 82 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1222,1223,
igr2=1259,1263,
&end
#
# 14 ARG HA 52 GLU HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 186, 763, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 44 ASP HN 48 LYS HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 648, 700, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 48 LYS HN 48 LYS HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 696, 700, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 48 LYS HB3 49 ILE HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 701, 718, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 46 GLU HN 48 LYS HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 674, 701, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 48 LYS HB3 48 LYS HD3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 701, 707, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 42 PRO HB2 54 PHE HE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 793, 797,
&end
#
# 42 PRO HB2 43 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 642, 643, 644,
&end
#
# 44 ASP HN 48 LYS HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 648, 701, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 56 GLN HN 56 GLN HG3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 819, 827, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 10 PHE HD 56 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 113, 121,
&end
#
# 10 PHE HA 56 GLN HG3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 107, 827, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 56 GLN HG3 57 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 827, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HB2 81 VAL HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=1037,1233, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 67 LEU HA 70 HIS HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 987,1037, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 67 LEU HA 70 HIS HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 987,1038, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 83 LYS HB2 84 SER HN 4.54
&rst
ixpk= 0, nxpk= 0, iat=1273,1291, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 83 LYS HB2 83 LYS HD3 3.37
&rst
ixpk= 0, nxpk= 0, iat=1273,1280, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 67 LEU QD2 83 LYS HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 998, 999,1000,
&end
#
# 83 LYS HB3 83 LYS QE 4.73
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1282,1283,
&end
#
# 22 LYS QB 25 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 304, 305,
&end
#
# 65 LYS HB3 66 ALA HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 958, 975, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 PHE HE 56 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 115, 119,
&end
#
# 32 LEU QD2 65 LYS HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 475, 476, 477,
&end
#
# 35 VAL QG2 56 GLN HG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 525, 526, 527,
&end
#
# 70 HIS HB2 80 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1037,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HB2 81 VAL QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1243,1244,1245,
&end
#
# 67 LEU QD2 70 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 70 HIS HB3 81 VAL HN 5.49
&rst
ixpk= 0, nxpk= 0, iat=1038,1233, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 70 HIS HB3 71 LYS HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=1038,1050, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 70 HIS HB3 81 VAL QG1 5.05
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1239,1240,1241,
&end
#
# 70 HIS HB3 81 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1243,1244,1245,
&end
#
# 67 LEU QD2 70 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 45 PRO HB2 46 GLU HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 667, 674, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 17 PRO HB2 74 ILE QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1117,1118,1119,
&end
#
# 17 PRO HB2 20 CYS HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 241, 279, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 17 PRO HB3 20 CYS HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 242, 279, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 17 PRO HB3 74 ILE QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1117,1118,1119,
&end
#
# 22 LYS QB 23 GLU HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 304, 305,
&end
#
# 22 LYS QB 22 LYS HE2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 304, 305,
&end
#
# 22 LYS QB 22 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 304, 305,
&end
#
# 26 VAL HB 27 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 375, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HN 26 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HB 27 GLN HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 375, 387, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 25 ILE HN 26 VAL HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 352, 375, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 23 GLU HA 26 VAL HB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 324, 375, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 26 VAL HB 34 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 509, 510, 511,
&end
#
# 17 PRO HB2 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 16 LEU HA 17 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HB3 20 CYS HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 242, 275, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 17 PRO HB3 77 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 242,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ARG HB2 79 ILE QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1212,1213,1214,
&end
#
# 77 ARG HB3 78 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1159,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HD2 77 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HD3 77 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE QG2 77 ARG HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1117,1118,1119,
&end
#
# 77 ARG HB3 79 ILE QD1 5.30
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1212,1213,1214,
&end
#
# 17 PRO HA 77 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 244,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HZ 69 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 416,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HE 69 LYS HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 414, 418,
&end
#
# 29 PHE HD 69 LYS HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 432, 440,
&end
#
# 90 ARG HN 90 ARG HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1376,1380, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 89 VAL HB 90 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1364,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PHE HB3 89 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 788,1364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ARG HB3 91 SER HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1381,1400, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 90 ARG HB3 92 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1381,1411, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 ARG HN 90 ARG HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1376,1381, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 87 GLU HA 90 ARG HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat=1332,1381, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 90 ARG HB3 90 ARG QD 3.91
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1386,1387,
&end
#
# 76 HIS HB2 77 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1141,1154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HN 24 GLU HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 322, 341, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 24 GLU HB3 74 ILE QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1124,1125,1126,
&end
#
# 45 PRO HD3 46 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 662, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLU HB2 48 LYS HD3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 678, 707, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 32 LEU HA 33 GLU QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 485, 486,
&end
#
# 33 GLU QB 58 ALA QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 485, 486,
igr2= 860, 861, 862,
&end
#
# 33 GLU QB 62 LEU QD2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 485, 486,
igr2= 922, 923, 924,
&end
#
# 24 GLU HB3 74 ILE QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1117,1118,1119,
&end
#
# 35 VAL HB 36 PRO HD3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 519, 533, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 35 VAL HB 58 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 860, 861, 862,
&end
#
# 88 GLU HN 88 GLU HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1345,1349, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 54 PHE HD 88 GLU HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 791, 799,
&end
#
# 88 GLU HB2 89 VAL HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1349,1360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 GLU HB2 89 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1366,1367,1368,
&end
#
# 88 GLU HB3 89 VAL HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1350,1360, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 22 LYS HN 22 LYS QD 4.43
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 310, 311,
&end
#
# 22 LYS QD 23 GLU HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 310, 311,
&end
#
# 22 LYS QD 39 ILE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 310, 311,
&end
#
# 22 LYS HA 22 LYS QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 310, 311,
&end
#
# 87 GLU HN 88 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1330,1349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 GLN HA 88 GLU HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1315,1349, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 22 LYS QD 39 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 310, 311,
igr2= 579, 580, 581,
&end
#
# 69 LYS HE2 72 GLU QB 5.46
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1076,1077,
&end
#
# 69 LYS HD3 72 GLU QB 5.18
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1076,1077,
&end
#
# 61 GLU HB3 62 LEU HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 899, 909, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 83 LYS HN 83 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1269,1279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 GLU QB 88 GLU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1334,1335,
&end
#
# 67 LEU QD1 83 LYS HD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 994, 995, 996,
&end
#
# 83 LYS HN 83 LYS HD3 5.09
&rst
ixpk= 0, nxpk= 0, iat=1269,1280, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 83 LYS HD3 84 SER HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=1280,1291, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 83 LYS HA 83 LYS HD3 4.37
&rst
ixpk= 0, nxpk= 0, iat=1271,1280, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 64 GLU HN 65 LYS HD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 938, 963, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 65 LYS HA 65 LYS HD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 955, 963, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 62 LEU HA 65 LYS HD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 911, 963, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 65 LYS HB2 65 LYS HD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 957, 963, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 65 LYS HD3 66 ALA HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 964, 975, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 65 LYS HN 65 LYS HD3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 953, 964, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 65 LYS HA 65 LYS HD3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 65 LYS HB3 65 LYS HD3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 958, 964, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 62 LEU QD2 65 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 922, 923, 924,
&end
#
# 32 LEU QD2 65 LYS HD3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 475, 476, 477,
&end
#
# 70 HIS HD2 71 LYS HD2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1046,1060, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 71 LYS HA 71 LYS HD2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1052,1060, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 48 LYS HD3 49 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 707, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU HB3 25 ILE HG13 5.27
&rst
ixpk= 0, nxpk= 0, iat= 170, 363, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 25 ILE HG13 26 VAL HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 24 GLU HN 25 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ILE HN 25 ILE HG13 4.44
&rst
ixpk= 0, nxpk= 0, iat= 352, 363, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 25 ILE HG13 28 PHE QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 408, 409,
&end
#
# 25 ILE HG13 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1124,1125,1126,
&end
#
# 64 GLU HN 64 GLU HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 938, 942, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 64 GLU HB2 65 LYS HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 942, 953, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 64 GLU HB2 64 GLU HG3 2.92
&rst
ixpk= 0, nxpk= 0, iat= 942, 946, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 64 GLU HN 64 GLU HB3 3.48
&rst
ixpk= 0, nxpk= 0, iat= 938, 943, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 64 GLU HB3 67 LEU QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 994, 995, 996,
&end
#
# 34 ILE HG12 57 PHE HD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 844, 852,
&end
#
# 25 ILE HG12 26 VAL HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 362, 371, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 48 LYS HD2 49 ILE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 706, 718, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 48 LYS HA 48 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 698, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LYS HB2 48 LYS HD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 700, 706, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 48 LYS HN 48 LYS HD2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 696, 706, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 71 LYS HN 71 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1050,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LYS HD3 78 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1186,1195,
&end
#
# 48 LYS HN 48 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 696, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LYS HA 48 LYS HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 698, 707, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 34 ILE HG13 35 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HA 34 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ALA QB 64 GLU HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 932, 933, 934,
&end
#
# 86 GLN HN 86 GLN HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat=1313,1317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 10 PHE HD 86 GLN HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 113, 121,
&end
#
# 23 GLU HB3 24 GLU HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 23 GLU HB3 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 377, 378, 379,
&end
#
# 86 GLN HN 86 GLN HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=1313,1318, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 34 ILE HN 34 ILE HG12 4.40
&rst
ixpk= 0, nxpk= 0, iat= 496, 506, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 34 ILE HG12 57 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 846, 850,
&end
#
# 56 GLN HB2 57 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 823, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HG12 40 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HA 39 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLN HB3 57 PHE HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 824, 836, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 10 PHE HD 56 GLN HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 113, 121,
&end
#
# 39 ILE HG13 55 VAL HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 577, 805, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 38 GLY HA3 56 GLN HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 562, 824, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 35 VAL QG2 56 GLN HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 525, 526, 527,
&end
#
# 34 ILE HG13 57 PHE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 507, 838, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 27 GLN QB 29 PHE HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 391, 392,
&end
#
# 45 PRO HG3 46 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 665, 674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LYS HB2 71 LYS HD3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1054,1061, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 13 LEU HG 14 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HN 39 ILE HG12 4.36
&rst
ixpk= 0, nxpk= 0, iat= 566, 576, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 39 ILE HG12 55 VAL QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 813, 814, 815,
&end
#
# 24 GLU QG 74 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 344, 345,
&end
#
# 39 ILE HN 39 ILE HG13 4.72
&rst
ixpk= 0, nxpk= 0, iat= 566, 577, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 39 ILE HG13 40 THR HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 577, 585, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 38 GLY HN 39 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLN HB3 56 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 824, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HG13 55 VAL QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 813, 814, 815,
&end
#
# 60 GLN HB2 61 GLU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 881, 894, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 60 GLN HB2 63 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 932, 933, 934,
&end
#
# 60 GLN HB3 60 GLN HNE1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 882, 889, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 73 ARG HN 73 ARG HG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1087,1094, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 73 ARG HG2 74 ILE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=1094,1111, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 73 ARG HG3 74 ILE HN 5.25
&rst
ixpk= 0, nxpk= 0, iat=1095,1111, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 74 ILE HG12 75 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1121,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE HN 74 ILE HG12 5.39
&rst
ixpk= 0, nxpk= 0, iat=1111,1121, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 28 PHE HE 74 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 414, 418,
&end
#
# 28 PHE QB 74 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 409,
&end
#
# 74 ILE HG13 75 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1122,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE HN 74 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1111,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE HG13 79 ILE QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1212,1213,1214,
&end
#
# 28 PHE HE 74 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 414, 418,
&end
#
# 20 CYS HB2 24 GLU QG 4.92
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 344, 345,
&end
#
# 17 PRO HG2 20 CYS HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 238, 279, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 20 CYS HB2 74 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1117,1118,1119,
&end
#
# 16 LEU QD2 20 CYS HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 228, 229, 230,
&end
#
# 20 CYS HB3 21 THR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 280, 286, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 16 LEU HA 20 CYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HD2 20 CYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HD3 20 CYS HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 236, 280, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 20 CYS HB3 24 GLU QG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 344, 345,
&end
#
# 17 PRO HG2 20 CYS HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 238, 280, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 20 CYS HB3 49 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 731, 732, 733,
&end
#
# 20 CYS HB3 41 LEU QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 608, 609, 610,
&end
#
# 16 LEU QD2 20 CYS HB3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 228, 229, 230,
&end
#
# 17 PRO HG2 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1124,1125,1126,
&end
#
# 16 LEU QD2 17 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 228, 229, 230,
&end
#
# 17 PRO HG3 74 ILE HB 5.46
&rst
ixpk= 0, nxpk= 0, iat= 239,1115, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 12 ARG HN 12 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HG2 13 LEU HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 148, 165, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 12 ARG HG2 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HG2 54 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 791, 799,
&end
#
# 12 ARG HG3 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 149, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HN 12 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HG3 13 LEU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 12 ARG HG3 84 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 149,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HG3 54 PHE HD 4.79
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 791, 799,
&end
#
# 12 ARG HG3 82 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 149,1254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE QB 74 ILE HG13 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 408, 409,
&end
#
# 17 PRO HG2 20 CYS HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 238, 277, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 42 PRO HG2 54 PHE HD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 791, 799,
&end
#
# 40 THR QG2 42 PRO HG2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 591, 592, 593,
&end
#
# 42 PRO HG3 43 VAL HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 623, 632, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 42 PRO HG3 54 PHE HD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 791, 799,
&end
#
# 41 LEU HA 42 PRO HG3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 601, 623, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 17 PRO HG3 20 CYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PRO HG3 50 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 743, 744, 745,
&end
#
# 17 PRO HG3 20 CYS HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 239, 279, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 17 PRO HG3 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 22 LYS HN 22 LYS HG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 300, 307, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 62 LEU HG 63 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HG3 23 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 308, 322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 GLY HN 69 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1004,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LYS HN 69 LYS HD3 4.78
&rst
ixpk= 0, nxpk= 0, iat=1011,1022, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 29 PHE HE 69 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 434, 438,
&end
#
# 29 PHE HD 69 LYS HD3 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 432, 440,
&end
#
# 28 PHE HE 69 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 414, 418,
&end
#
# 69 LYS HA 69 LYS HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1013,1022, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 LYS HD3 72 GLU HG2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1022,1079, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 22 LYS HG3 39 ILE QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 572, 573, 574,
&end
#
# 66 ALA HA 69 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 977,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 LYS HG2 23 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 GLU HA 90 ARG HG2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1332,1383, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 14 ARG HN 14 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 191, 192,
&end
#
# 14 ARG QG 15 GLY HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 191, 192,
&end
#
# 90 ARG HN 90 ARG HG3 4.27
&rst
ixpk= 0, nxpk= 0, iat=1376,1384, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 14 ARG HA 14 ARG QG 3.91
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 191, 192,
&end
#
# 90 ARG HA 90 ARG HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat=1378,1384, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 87 GLU HA 90 ARG HG3 4.93
&rst
ixpk= 0, nxpk= 0, iat=1332,1384, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 29 PHE HD 32 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 432, 440,
&end
#
# 31 GLY HA2 32 LEU HG 4.22
&rst
ixpk= 0, nxpk= 0, iat= 457, 469, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 32 LEU HG 33 GLU HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 469, 481, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 15 GLY HN 16 LEU HG 5.43
&rst
ixpk= 0, nxpk= 0, iat= 208, 222, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 16 LEU HG 17 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HG 49 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 731, 732, 733,
&end
#
# 57 PHE HN 62 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 34 ILE HN 62 LEU QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 918, 919, 920,
&end
#
# 58 ALA HN 62 LEU QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 918, 919, 920,
&end
#
# 62 LEU HN 62 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 918, 919, 920,
&end
#
# 29 PHE HE 69 LYS HD2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 434, 438,
&end
#
# 57 PHE HE 62 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 846, 850,
igr2= 918, 919, 920,
&end
#
# 29 PHE HA 69 LYS HD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 426,1021, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 62 LEU QD1 65 LYS HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 918, 919, 920,
&end
#
# 62 LEU HA 62 LEU QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 918, 919, 920,
&end
#
# 66 ALA HA 69 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 977,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 PHE HB2 62 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 918, 919, 920,
&end
#
# 62 LEU HB2 62 LEU QD1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 918, 919, 920,
&end
#
# 62 LEU QD1 63 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 918, 919, 920,
igr2= 932, 933, 934,
&end
#
# 34 ILE QD1 62 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 509, 510, 511,
igr2= 918, 919, 920,
&end
#
# 66 ALA HN 67 LEU HG 4.46
&rst
ixpk= 0, nxpk= 0, iat= 975, 992, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 64 GLU HA 67 LEU HG 3.60
&rst
ixpk= 0, nxpk= 0, iat= 940, 992, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 67 LEU HG 81 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 18 PHE HE 49 ILE HG13 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 258, 262,
&end
#
# 16 LEU HG 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1205,1206,1207,
&end
#
# 16 LEU HG 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 13 LEU HN 16 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 224, 225, 226,
&end
#
# 16 LEU HN 16 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 224, 225, 226,
&end
#
# 16 LEU QD1 53 ALA HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 224, 225, 226,
&end
#
# 16 LEU QD1 53 ALA HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 224, 225, 226,
&end
#
# 14 ARG HA 16 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 224, 225, 226,
&end
#
# 16 LEU HA 16 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 224, 225, 226,
&end
#
# 16 LEU QD1 17 PRO HD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 224, 225, 226,
&end
#
# 16 LEU QD1 17 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 224, 225, 226,
&end
#
# 16 LEU QD1 20 CYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 224, 225, 226,
&end
#
# 16 LEU QD1 20 CYS HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 224, 225, 226,
&end
#
# 13 LEU QD2 16 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 178, 179, 180,
igr2= 224, 225, 226,
&end
#
# 16 LEU QD1 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 224, 225, 226,
igr2=1124,1125,1126,
&end
#
# 49 ILE HG12 51 GLY HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 728, 751, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 18 PHE HD 49 ILE HG12 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 256, 264,
&end
#
# 18 PHE HA 49 ILE HG12 4.38
&rst
ixpk= 0, nxpk= 0, iat= 250, 728, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 49 ILE QG2 49 ILE HG12 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 724, 725, 726,
&end
#
# 18 PHE HD 49 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 264,
&end
#
# 79 ILE HN 79 ILE HG12 5.07
&rst
ixpk= 0, nxpk= 0, iat=1199,1209, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 74 ILE HN 79 ILE HG12 5.35
&rst
ixpk= 0, nxpk= 0, iat=1111,1209, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 79 ILE HN 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1199,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE HN 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1111,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HD 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 412, 420,
&end
#
# 74 ILE QD1 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1124,1125,1126,
&end
#
# 65 LYS HN 65 LYS HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 953, 960, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 32 LEU QD2 65 LYS HG3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 475, 476, 477,
&end
#
# 67 LEU QD1 82 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 994, 995, 996,
&end
#
# 67 LEU QD1 83 LYS HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 994, 995, 996,
&end
#
# 64 GLU HA 67 LEU QD1 3.35
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 994, 995, 996,
&end
#
# 67 LEU HB2 67 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 994, 995, 996,
&end
#
# 67 LEU HB3 67 LEU QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 994, 995, 996,
&end
#
# 13 LEU HN 13 LEU QD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 178, 179, 180,
&end
#
# 13 LEU QD2 53 ALA HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 178, 179, 180,
&end
#
# 13 LEU QD2 29 PHE HE 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 178, 179, 180,
igr2= 434, 438,
&end
#
# 13 LEU QD2 29 PHE HD 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 178, 179, 180,
igr2= 432, 440,
&end
#
# 13 LEU QD2 28 PHE HE 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 178, 179, 180,
igr2= 414, 418,
&end
#
# 13 LEU HA 13 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 178, 179, 180,
&end
#
# 12 ARG HA 13 LEU QD2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 178, 179, 180,
&end
#
# 13 LEU QD2 81 VAL HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 178, 179, 180,
&end
#
# 13 LEU QD2 25 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 178, 179, 180,
&end
#
# 13 LEU HB3 13 LEU QD2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 178, 179, 180,
&end
#
# 13 LEU QD2 25 ILE QD1 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 178, 179, 180,
igr2= 365, 366, 367,
&end
#
# 13 LEU QD2 79 ILE QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 178, 179, 180,
igr2=1205,1206,1207,
&end
#
# 71 LYS HG2 80 GLU HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=1057,1220, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 70 HIS HA 71 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1035,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HD2 71 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1046,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HA 71 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1035,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LEU HA 65 LYS HG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 911, 960, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 32 LEU QD2 65 LYS HG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 475, 476, 477,
&end
#
# 62 LEU QD2 65 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 922, 923, 924,
&end
#
# 13 LEU QD1 81 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 176,
&end
#
# 12 ARG HN 13 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 174, 175, 176,
&end
#
# 13 LEU QD1 82 PHE HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 174, 175, 176,
&end
#
# 13 LEU QD1 28 PHE HE 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 174, 175, 176,
igr2= 414, 418,
&end
#
# 13 LEU QD1 28 PHE HD 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 174, 175, 176,
igr2= 412, 420,
&end
#
# 12 ARG HA 13 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 174, 175, 176,
&end
#
# 13 LEU QD1 81 VAL HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 174, 175, 176,
&end
#
# 13 LEU QD1 16 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 174, 175, 176,
igr2= 224, 225, 226,
&end
#
# 13 LEU QD1 79 ILE QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 174, 175, 176,
igr2=1205,1206,1207,
&end
#
# 13 LEU QD1 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175, 176,
&end
#
# 13 LEU HN 13 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 174, 175, 176,
&end
#
# 13 LEU QD1 81 VAL QG1 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 174, 175, 176,
igr2=1239,1240,1241,
&end
#
# 41 LEU QD2 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 612, 613, 614,
&end
#
# 40 THR HA 41 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 608, 609, 610,
&end
#
# 22 LYS HE3 41 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 608, 609, 610,
&end
#
# 25 ILE QD1 41 LEU QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 365, 366, 367,
igr2= 608, 609, 610,
&end
#
# 22 LYS HN 41 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 608, 609, 610,
&end
#
# 22 LYS HA 41 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 608, 609, 610,
&end
#
# 22 LYS HE2 41 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 608, 609, 610,
&end
#
# 41 LEU HB2 41 LEU QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 608, 609, 610,
&end
#
# 32 LEU QD1 66 ALA HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 471, 472, 473,
&end
#
# 32 LEU QD1 69 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 471, 472, 473,
&end
#
# 29 PHE HD 32 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 432, 440,
igr2= 471, 472, 473,
&end
#
# 32 LEU QD1 57 PHE HE 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 471, 472, 473,
igr2= 846, 850,
&end
#
# 29 PHE HA 32 LEU QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 471, 472, 473,
&end
#
# 32 LEU HA 32 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 471, 472, 473,
&end
#
# 29 PHE HB2 32 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 471, 472, 473,
&end
#
# 32 LEU QD1 66 ALA HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 471, 472, 473,
&end
#
# 29 PHE HB3 32 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 471, 472, 473,
&end
#
# 32 LEU HB2 32 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 471, 472, 473,
&end
#
# 32 LEU QD1 65 LYS HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 471, 472, 473,
&end
#
# 32 LEU QD1 65 LYS HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 471, 472, 473,
&end
#
# 67 LEU QD1 83 LYS HG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 994, 995, 996,
&end
#
# 67 LEU QD2 83 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 83 LYS HN 83 LYS HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1269,1276, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 83 LYS HN 83 LYS HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat=1269,1277, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 83 LYS HG3 84 SER HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=1277,1291, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 82 PHE HA 83 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1251,1277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 LYS HG3 83 LYS QE 4.12
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1282,1283,
&end
#
# 67 LEU QD1 83 LYS HG3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 994, 995, 996,
&end
#
# 29 PHE HE 69 LYS HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 434, 438,
&end
#
# 29 PHE HD 69 LYS HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 432, 440,
&end
#
# 48 LYS HG2 49 ILE HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 703, 718, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 48 LYS HN 48 LYS HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 696, 703, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 68 GLY HN 69 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1004,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PHE HE 69 LYS HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 434, 438,
&end
#
# 28 PHE HE 69 LYS HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 414, 418,
&end
#
# 29 PHE HA 69 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 426,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LYS HA 69 LYS HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1013,1018, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 66 ALA HA 69 LYS HG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 977,1018, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 46 GLU HB3 48 LYS HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 679, 703, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 69 LYS HG2 81 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 69 LYS HN 69 LYS HG2 4.36
&rst
ixpk= 0, nxpk= 0, iat=1011,1018, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 29 PHE HD 69 LYS HG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 432, 440,
&end
#
# 69 LYS HN 69 LYS HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat=1011,1019, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 PHE HE 69 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 414, 418,
&end
#
# 62 LEU HN 62 LEU QD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 922, 923, 924,
&end
#
# 33 GLU HN 62 LEU QD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 922, 923, 924,
&end
#
# 57 PHE HD 62 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 844, 852,
igr2= 922, 923, 924,
&end
#
# 32 LEU HA 62 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 922, 923, 924,
&end
#
# 33 GLU HA 62 LEU QD2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 922, 923, 924,
&end
#
# 62 LEU HA 62 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 922, 923, 924,
&end
#
# 57 PHE HB2 62 LEU QD2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 922, 923, 924,
&end
#
# 33 GLU HG3 62 LEU QD2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 922, 923, 924,
&end
#
# 62 LEU HB3 62 LEU QD2 2.96
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 922, 923, 924,
&end
#
# 32 LEU QD2 62 LEU QD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 475, 476, 477,
igr2= 922, 923, 924,
&end
#
# 32 LEU HN 32 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 475, 476, 477,
&end
#
# 32 LEU QD2 66 ALA HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 475, 476, 477,
&end
#
# 32 LEU QD2 33 GLU HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 475, 476, 477,
&end
#
# 32 LEU HA 32 LEU QD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 475, 476, 477,
&end
#
# 32 LEU QD2 65 LYS HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 475, 476, 477,
&end
#
# 32 LEU QD2 62 LEU HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 475, 476, 477,
&end
#
# 32 LEU HB2 32 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 475, 476, 477,
&end
#
# 32 LEU QD2 65 LYS HB2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 475, 476, 477,
&end
#
# 29 PHE HA 32 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 475, 476, 477,
&end
#
# 31 GLY HA2 32 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 475, 476, 477,
&end
#
# 40 THR HN 53 ALA QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 777, 778, 779,
&end
#
# 13 LEU HN 53 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 777, 778, 779,
&end
#
# 41 LEU HN 53 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 777, 778, 779,
&end
#
# 53 ALA QB 54 PHE HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 777, 778, 779,
&end
#
# 53 ALA QB 54 PHE HD 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 777, 778, 779,
igr2= 791, 799,
&end
#
# 42 PRO HD2 53 ALA QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 777, 778, 779,
&end
#
# 41 LEU QD2 53 ALA QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 612, 613, 614,
igr2= 777, 778, 779,
&end
#
# 16 LEU QD1 53 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 224, 225, 226,
igr2= 777, 778, 779,
&end
#
# 42 PRO HD3 53 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 777, 778, 779,
&end
#
# 32 LEU HN 62 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 922, 923, 924,
&end
#
# 16 LEU HN 16 LEU QD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 228, 229, 230,
&end
#
# 14 ARG HA 16 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 228, 229, 230,
&end
#
# 16 LEU QD2 51 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 228, 229, 230,
&end
#
# 16 LEU QD2 18 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 228, 229, 230,
&end
#
# 16 LEU HA 16 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 228, 229, 230,
&end
#
# 16 LEU QD2 17 PRO HD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 228, 229, 230,
&end
#
# 16 LEU QD2 17 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 228, 229, 230,
&end
#
# 16 LEU QD2 17 PRO HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 228, 229, 230,
&end
#
# 16 LEU HB2 16 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 228, 229, 230,
&end
#
# 67 LEU QD2 81 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 998, 999,1000,
igr2=1239,1240,1241,
&end
#
# 16 LEU QD2 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 228, 229, 230,
&end
#
# 23 GLU HN 26 VAL QG1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 377, 378, 379,
&end
#
# 26 VAL HN 26 VAL QG1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 377, 378, 379,
&end
#
# 26 VAL QG1 27 GLN HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 377, 378, 379,
&end
#
# 25 ILE HN 26 VAL QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 377, 378, 379,
&end
#
# 23 GLU HA 26 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 377, 378, 379,
&end
#
# 26 VAL HA 26 VAL QG1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 377, 378, 379,
&end
#
# 26 VAL QG1 27 GLN QG 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 377, 378, 379,
igr2= 394, 395,
&end
#
# 26 VAL QG1 34 ILE QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 377, 378, 379,
igr2= 509, 510, 511,
&end
#
# 25 ILE QD1 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 365, 366, 367,
igr2= 377, 378, 379,
&end
#
# 67 LEU QD2 68 GLY HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 998, 999,1000,
&end
#
# 67 LEU QD2 83 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 998, 999,1000,
igr2=1282,1283,
&end
#
# 67 LEU HB2 67 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 998, 999,1000,
&end
#
# 67 LEU QD2 83 LYS HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 998, 999,1000,
&end
#
# 67 LEU QD2 81 VAL QG2 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 998, 999,1000,
igr2=1243,1244,1245,
&end
#
# 67 LEU QD2 82 PHE HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 998, 999,1000,
&end
#
# 67 LEU QD2 83 LYS HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 998, 999,1000,
&end
#
# 67 LEU HN 67 LEU QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 998, 999,1000,
&end
#
# 67 LEU QD2 82 PHE HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 998, 999,1000,
&end
#
# 55 VAL QG2 56 GLN HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 813, 814, 815,
&end
#
# 39 ILE HN 55 VAL QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 813, 814, 815,
&end
#
# 29 PHE HE 55 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 434, 438,
igr2= 813, 814, 815,
&end
#
# 29 PHE HD 55 VAL QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 432, 440,
igr2= 813, 814, 815,
&end
#
# 55 VAL QG2 57 PHE HE 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 813, 814, 815,
igr2= 846, 850,
&end
#
# 55 VAL HA 55 VAL QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 813, 814, 815,
&end
#
# 55 VAL QG2 56 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 813, 814, 815,
&end
#
# 39 ILE QG2 55 VAL QG2 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 572, 573, 574,
igr2= 813, 814, 815,
&end
#
# 49 ILE HN 50 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 743, 744, 745,
&end
#
# 50 THR QG2 51 GLY HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 743, 744, 745,
&end
#
# 44 ASP HB2 50 THR QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 743, 744, 745,
&end
#
# 21 THR QG2 25 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 292, 293, 294,
igr2= 365, 366, 367,
&end
#
# 50 THR HN 50 THR QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 743, 744, 745,
&end
#
# 43 VAL HA 50 THR QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 743, 744, 745,
&end
#
# 44 ASP HB3 50 THR QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 743, 744, 745,
&end
#
# 42 PRO HB3 50 THR QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 743, 744, 745,
&end
#
# 81 VAL HN 81 VAL QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1243,1244,1245,
&end
#
# 40 THR HN 55 VAL QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 809, 810, 811,
&end
#
# 11 VAL HN 55 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 809, 810, 811,
&end
#
# 54 PHE HN 55 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 809, 810, 811,
&end
#
# 55 VAL QG1 56 GLN HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 809, 810, 811,
&end
#
# 39 ILE HN 55 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 809, 810, 811,
&end
#
# 29 PHE HE 55 VAL QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 434, 438,
igr2= 809, 810, 811,
&end
#
# 29 PHE HD 55 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 432, 440,
igr2= 809, 810, 811,
&end
#
# 55 VAL QG1 57 PHE HE 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 809, 810, 811,
igr2= 846, 850,
&end
#
# 39 ILE HA 55 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 809, 810, 811,
&end
#
# 55 VAL HA 55 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 809, 810, 811,
&end
#
# 39 ILE HG12 55 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 809, 810, 811,
&end
#
# 25 ILE QG2 55 VAL QG1 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 358, 359, 360,
igr2= 809, 810, 811,
&end
#
# 25 ILE QD1 55 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 365, 366, 367,
igr2= 809, 810, 811,
&end
#
# 21 THR QG2 22 LYS HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 292, 293, 294,
&end
#
# 21 THR QG2 23 GLU HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 292, 293, 294,
&end
#
# 21 THR HN 21 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 292, 293, 294,
&end
#
# 21 THR QG2 24 GLU HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 292, 293, 294,
&end
#
# 21 THR QG2 22 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 292, 293, 294,
&end
#
# 21 THR QG2 22 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 292, 293, 294,
&end
#
# 21 THR QG2 23 GLU HG3 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 292, 293, 294,
&end
#
# 21 THR QG2 22 LYS QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 292, 293, 294,
igr2= 304, 305,
&end
#
# 21 THR QG2 22 LYS QD 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 292, 293, 294,
igr2= 310, 311,
&end
#
# 21 THR QG2 26 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 292, 293, 294,
igr2= 377, 378, 379,
&end
#
# 21 THR QG2 41 LEU QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 292, 293, 294,
igr2= 608, 609, 610,
&end
#
# 68 GLY HN 81 VAL QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1243,1244,1245,
&end
#
# 29 PHE HE 81 VAL QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 434, 438,
igr2=1243,1244,1245,
&end
#
# 81 VAL HA 81 VAL QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1243,1244,1245,
&end
#
# 79 ILE QG2 81 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1205,1206,1207,
igr2=1243,1244,1245,
&end
#
# 11 VAL QG1 55 VAL HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 131, 132, 133,
&end
#
# 11 VAL QG2 63 ALA HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 135, 136, 137,
&end
#
# 11 VAL QG2 63 ALA QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 135, 136, 137,
igr2= 932, 933, 934,
&end
#
# 11 VAL QG1 55 VAL QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 131, 132, 133,
igr2= 809, 810, 811,
&end
#
# 43 VAL QG1 49 ILE HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 638, 639, 640,
&end
#
# 86 GLN HNE1 89 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1366,1367,1368,
&end
#
# 89 VAL HN 89 VAL QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1366,1367,1368,
&end
#
# 54 PHE HA 89 VAL QG1 5.32
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1366,1367,1368,
&end
#
# 88 GLU HA 89 VAL QG1 5.25
&rst
ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1366,1367,1368,
&end
#
# 54 PHE HB2 89 VAL QG1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1366,1367,1368,
&end
#
# 89 VAL HA 89 VAL QG1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1366,1367,1368,
&end
#
# 88 GLU HB3 89 VAL QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1366,1367,1368,
&end
#
# 86 GLN HB3 89 VAL QG1 5.37
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1366,1367,1368,
&end
#
# 40 THR QG2 89 VAL QG1 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 591, 592, 593,
igr2=1366,1367,1368,
&end
#
# 11 VAL QG1 55 VAL HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 131, 132, 133,
&end
#
# 11 VAL QG1 55 VAL HB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 131, 132, 133,
&end
#
# 11 VAL QG1 55 VAL QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 131, 132, 133,
igr2= 813, 814, 815,
&end
#
# 43 VAL QG1 49 ILE HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 638, 639, 640,
&end
#
# 43 VAL HN 43 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 638, 639, 640,
&end
#
# 43 VAL QG1 49 ILE HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 638, 639, 640,
&end
#
# 43 VAL QG1 47 GLY HA3 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 638, 639, 640,
&end
#
# 43 VAL QG1 49 ILE HG13 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 638, 639, 640,
&end
#
# 43 VAL QG1 50 THR QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 638, 639, 640,
igr2= 743, 744, 745,
&end
#
# 40 THR QG2 41 LEU HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 591, 592, 593,
&end
#
# 35 VAL QG1 56 GLN HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 521, 522, 523,
&end
#
# 40 THR QG2 91 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 591, 592, 593,
&end
#
# 40 THR QG2 54 PHE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 591, 592, 593,
&end
#
# 40 THR QG2 54 PHE HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 591, 592, 593,
&end
#
# 40 THR QG2 54 PHE HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 591, 592, 593,
&end
#
# 81 VAL HN 81 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1239,1240,1241,
&end
#
# 13 LEU QD2 81 VAL QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 178, 179, 180,
igr2=1239,1240,1241,
&end
#
# 26 VAL HN 26 VAL QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 381, 382, 383,
&end
#
# 34 ILE HN 35 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 521, 522, 523,
&end
#
# 35 VAL HN 35 VAL QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 521, 522, 523,
&end
#
# 35 VAL QG1 56 GLN HNE1 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 521, 522, 523,
&end
#
# 35 VAL QG1 59 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 521, 522, 523,
&end
#
# 35 VAL QG1 57 PHE HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 521, 522, 523,
&end
#
# 35 VAL QG1 56 GLN HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 521, 522, 523,
&end
#
# 35 VAL QG1 58 ALA HA 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 521, 522, 523,
&end
#
# 35 VAL QG1 36 PRO HD3 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 521, 522, 523,
&end
#
# 35 VAL QG1 56 GLN HG2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 521, 522, 523,
&end
#
# 54 PHE HN 89 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1370,1371,1372,
&end
#
# 54 PHE HA 89 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1370,1371,1372,
&end
#
# 40 THR HB 89 VAL QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1370,1371,1372,
&end
#
# 89 VAL QG2 91 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1370,1371,1372,
&end
#
# 54 PHE HB2 89 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1370,1371,1372,
&end
#
# 54 PHE HB3 89 VAL QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1370,1371,1372,
&end
#
# 86 GLN HA 89 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1370,1371,1372,
&end
#
# 89 VAL HA 89 VAL QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1370,1371,1372,
&end
#
# 40 THR QG2 89 VAL QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 591, 592, 593,
igr2=1370,1371,1372,
&end
#
# 72 GLU HN 81 VAL QG1 5.36
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1239,1240,1241,
&end
#
# 69 LYS HN 81 VAL QG1 5.12
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1239,1240,1241,
&end
#
# 29 PHE HE 81 VAL QG1 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 434, 438,
igr2=1239,1240,1241,
&end
#
# 29 PHE HD 81 VAL QG1 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 432, 440,
igr2=1239,1240,1241,
&end
#
# 28 PHE HE 81 VAL QG1 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 414, 418,
igr2=1239,1240,1241,
&end
#
# 81 VAL HA 81 VAL QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1239,1240,1241,
&end
#
# 70 HIS HA 81 VAL QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1239,1240,1241,
&end
#
# 67 LEU HA 81 VAL QG1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1239,1240,1241,
&end
#
# 72 GLU QB 81 VAL QG1 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1076,1077,
igr2=1239,1240,1241,
&end
#
# 13 LEU HG 81 VAL QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1239,1240,1241,
&end
#
# 79 ILE QG2 81 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1205,1206,1207,
igr2=1239,1240,1241,
&end
#
# 66 ALA HN 66 ALA QB 3.28
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 979, 980, 981,
&end
#
# 57 PHE HD 66 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 844, 852,
igr2= 979, 980, 981,
&end
#
# 57 PHE HE 66 ALA QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 846, 850,
igr2= 979, 980, 981,
&end
#
# 29 PHE HB3 66 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 979, 980, 981,
&end
#
# 11 VAL HB 66 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 979, 980, 981,
&end
#
# 66 ALA QB 67 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 979, 980, 981,
&end
#
# 66 ALA QB 81 VAL QG1 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 979, 980, 981,
igr2=1239,1240,1241,
&end
#
# 6 ALA QB 7 ASN HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 66, 67, 68,
&end
#
# 6 ALA QB 83 LYS HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 66, 67, 68,
&end
#
# 6 ALA QB 83 LYS HD2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 66, 67, 68,
&end
#
# 6 ALA QB 83 LYS HD3 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 66, 67, 68,
&end
#
# 43 VAL HA 43 VAL QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 642, 643, 644,
&end
#
# 43 VAL QG2 44 ASP HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 642, 643, 644,
&end
#
# 43 VAL QG2 47 GLY HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 642, 643, 644,
&end
#
# 43 VAL QG2 48 LYS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 642, 643, 644,
&end
#
# 43 VAL HN 43 VAL QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 642, 643, 644,
&end
#
# 43 VAL QG2 49 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 642, 643, 644,
&end
#
# 42 PRO HA 43 VAL QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 642, 643, 644,
&end
#
# 35 VAL QG2 56 GLN HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 58 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 525, 526, 527,
&end
#
# 35 VAL HN 35 VAL QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 525, 526, 527,
&end
#
# 35 VAL QG2 56 GLN HNE1 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 59 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 56 GLN HNE2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 57 PHE HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 38 GLY HA2 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 36 PRO HD2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 38 GLY HA3 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 56 GLN HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 525, 526, 527,
&end
#
# 35 VAL QG2 58 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 525, 526, 527,
igr2= 860, 861, 862,
&end
#
# 35 VAL QG2 56 GLN HG3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 525, 526, 527,
&end
#
# 34 ILE HN 58 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 860, 861, 862,
&end
#
# 35 VAL HN 58 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 860, 861, 862,
&end
#
# 57 PHE HD 58 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 844, 852,
igr2= 860, 861, 862,
&end
#
# 57 PHE HA 58 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 860, 861, 862,
&end
#
# 33 GLU HA 58 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 860, 861, 862,
&end
#
# 57 PHE HB2 58 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 860, 861, 862,
&end
#
# 57 PHE HB3 58 ALA QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 860, 861, 862,
&end
#
# 33 GLU HG3 58 ALA QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 860, 861, 862,
&end
#
# 25 ILE HA 25 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 358, 359, 360,
&end
#
# 25 ILE QG2 27 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 358, 359, 360,
&end
#
# 22 LYS HA 25 ILE QG2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 358, 359, 360,
&end
#
# 25 ILE QG2 25 ILE QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 358, 359, 360,
igr2= 365, 366, 367,
&end
#
# 25 ILE QG2 25 ILE HG13 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 358, 359, 360,
&end
#
# 10 PHE HN 63 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 932, 933, 934,
&end
#
# 63 ALA QB 64 GLU HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 932, 933, 934,
&end
#
# 62 LEU HN 63 ALA QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 932, 933, 934,
&end
#
# 63 ALA HN 63 ALA QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 932, 933, 934,
&end
#
# 57 PHE HD 63 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 844, 852,
igr2= 932, 933, 934,
&end
#
# 57 PHE HE 63 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 846, 850,
igr2= 932, 933, 934,
&end
#
# 60 GLN HA 63 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 932, 933, 934,
&end
#
# 9 GLY HA2 63 ALA QB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 932, 933, 934,
&end
#
# 57 PHE HB3 63 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 932, 933, 934,
&end
#
# 63 ALA QB 64 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 932, 933, 934,
&end
#
# 11 VAL QG1 63 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 131, 132, 133,
igr2= 932, 933, 934,
&end
#
# 63 ALA QB 66 ALA QB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 932, 933, 934,
igr2= 979, 980, 981,
&end
#
# 20 CYS HN 49 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 16 LEU QD1 49 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 224, 225, 226,
igr2= 724, 725, 726,
&end
#
# 44 ASP HN 49 ILE QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 724, 725, 726,
&end
#
# 49 ILE QG2 51 GLY HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 724, 725, 726,
&end
#
# 49 ILE HN 49 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 724, 725, 726,
&end
#
# 48 LYS HN 49 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 724, 725, 726,
&end
#
# 49 ILE QG2 50 THR HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 724, 725, 726,
&end
#
# 18 PHE HD 49 ILE QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 256, 264,
igr2= 724, 725, 726,
&end
#
# 49 ILE HA 49 ILE QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 724, 725, 726,
&end
#
# 48 LYS HA 49 ILE QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 724, 725, 726,
&end
#
# 49 ILE QG2 49 ILE HG13 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 724, 725, 726,
&end
#
# 43 VAL QG1 49 ILE QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 638, 639, 640,
igr2= 724, 725, 726,
&end
#
# 16 LEU QD2 49 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 228, 229, 230,
igr2= 724, 725, 726,
&end
#
# 25 ILE QG2 28 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 358, 359, 360,
igr2= 412, 420,
&end
#
# 39 ILE QG2 41 LEU HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 572, 573, 574,
&end
#
# 38 GLY HN 39 ILE QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 572, 573, 574,
&end
#
# 39 ILE QG2 55 VAL HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 572, 573, 574,
&end
#
# 39 ILE QG2 40 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 572, 573, 574,
&end
#
# 22 LYS HE2 39 ILE QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 572, 573, 574,
&end
#
# 79 ILE HN 79 ILE QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1205,1206,1207,
&end
#
# 14 ARG HN 79 ILE QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1205,1206,1207,
&end
#
# 79 ILE QG2 80 GLU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1205,1206,1207,
&end
#
# 16 LEU HN 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1205,1206,1207,
&end
#
# 74 ILE HN 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1205,1206,1207,
&end
#
# 29 PHE HE 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 434, 438,
igr2=1205,1206,1207,
&end
#
# 29 PHE HD 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 432, 440,
igr2=1205,1206,1207,
&end
#
# 28 PHE HZ 79 ILE QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1205,1206,1207,
&end
#
# 28 PHE HE 79 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 414, 418,
igr2=1205,1206,1207,
&end
#
# 13 LEU HA 79 ILE QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1205,1206,1207,
&end
#
# 14 ARG HA 79 ILE QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1205,1206,1207,
&end
#
# 79 ILE QG2 80 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1205,1206,1207,
&end
#
# 74 ILE QD1 79 ILE QG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1124,1125,1126,
igr2=1205,1206,1207,
&end
#
# 28 PHE QB 74 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 408, 409,
igr2=1117,1118,1119,
&end
#
# 24 GLU HB2 74 ILE QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1117,1118,1119,
&end
#
# 24 GLU QG 74 ILE QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 344, 345,
igr2=1117,1118,1119,
&end
#
# 17 PRO HG2 74 ILE QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1117,1118,1119,
&end
#
# 74 ILE QG2 74 ILE QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1117,1118,1119,
igr2=1124,1125,1126,
&end
#
# 34 ILE HN 34 ILE QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 502, 503, 504,
&end
#
# 34 ILE QG2 58 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 502, 503, 504,
&end
#
# 34 ILE QG2 57 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 502, 503, 504,
igr2= 844, 852,
&end
#
# 34 ILE QG2 57 PHE HE 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 502, 503, 504,
igr2= 846, 850,
&end
#
# 34 ILE QG2 57 PHE HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 502, 503, 504,
&end
#
# 34 ILE QG2 35 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 502, 503, 504,
&end
#
# 34 ILE QG2 34 ILE HG12 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 502, 503, 504,
&end
#
# 34 ILE QG2 39 ILE HG12 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 502, 503, 504,
&end
#
# 34 ILE QG2 35 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 502, 503, 504,
igr2= 525, 526, 527,
&end
#
# 34 ILE QG2 55 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 502, 503, 504,
igr2= 813, 814, 815,
&end
#
# 34 ILE QG2 34 ILE HG13 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 502, 503, 504,
&end
#
# 39 ILE QD1 40 THR HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 579, 580, 581,
&end
#
# 22 LYS HN 39 ILE QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 579, 580, 581,
&end
#
# 23 GLU HN 39 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 579, 580, 581,
&end
#
# 39 ILE QD1 56 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 579, 580, 581,
&end
#
# 38 GLY HN 39 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 579, 580, 581,
&end
#
# 39 ILE HN 39 ILE QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 579, 580, 581,
&end
#
# 25 ILE HN 39 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 579, 580, 581,
&end
#
# 39 ILE QD1 55 VAL HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 579, 580, 581,
&end
#
# 26 VAL HA 39 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 579, 580, 581,
&end
#
# 25 ILE HB 39 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 579, 580, 581,
&end
#
# 26 VAL QG1 39 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 377, 378, 379,
igr2= 579, 580, 581,
&end
#
# 39 ILE QG2 39 ILE QD1 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 572, 573, 574,
igr2= 579, 580, 581,
&end
#
# 25 ILE QD1 39 ILE QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 365, 366, 367,
igr2= 579, 580, 581,
&end
#
# 25 ILE HG13 39 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 579, 580, 581,
&end
#
# 39 ILE QD1 55 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 579, 580, 581,
igr2= 813, 814, 815,
&end
#
# 34 ILE HN 34 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 509, 510, 511,
&end
#
# 26 VAL HN 34 ILE QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 509, 510, 511,
&end
#
# 34 ILE QD1 35 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 509, 510, 511,
&end
#
# 29 PHE HD 34 ILE QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 432, 440,
igr2= 509, 510, 511,
&end
#
# 25 ILE HB 34 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 509, 510, 511,
&end
#
# 34 ILE QD1 39 ILE HG12 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 509, 510, 511,
&end
#
# 25 ILE QG2 34 ILE QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 358, 359, 360,
igr2= 509, 510, 511,
&end
#
# 34 ILE QD1 35 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 509, 510, 511,
igr2= 525, 526, 527,
&end
#
# 34 ILE QD1 55 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 509, 510, 511,
igr2= 813, 814, 815,
&end
#
# 34 ILE QD1 57 PHE HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 509, 510, 511,
&end
#
# 19 GLY HA2 49 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 731, 732, 733,
&end
#
# 49 ILE QD1 51 GLY HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 731, 732, 733,
&end
#
# 20 CYS HN 49 ILE QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 731, 732, 733,
&end
#
# 49 ILE QD1 52 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 731, 732, 733,
&end
#
# 18 PHE HD 49 ILE QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 256, 264,
igr2= 731, 732, 733,
&end
#
# 49 ILE QD1 51 GLY HA3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 731, 732, 733,
&end
#
# 18 PHE HB2 49 ILE QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 731, 732, 733,
&end
#
# 20 CYS HB2 49 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 731, 732, 733,
&end
#
# 49 ILE HB 49 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 731, 732, 733,
&end
#
# 49 ILE QG2 49 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 724, 725, 726,
igr2= 731, 732, 733,
&end
#
# 16 LEU QD1 49 ILE QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 224, 225, 226,
igr2= 731, 732, 733,
&end
#
# 22 LYS HN 25 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 365, 366, 367,
&end
#
# 25 ILE QD1 26 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 365, 366, 367,
&end
#
# 24 GLU HN 25 ILE QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 365, 366, 367,
&end
#
# 25 ILE HN 25 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 365, 366, 367,
&end
#
# 25 ILE QD1 39 ILE HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 365, 366, 367,
&end
#
# 25 ILE QD1 55 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 365, 366, 367,
&end
#
# 20 CYS HB3 25 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 365, 366, 367,
&end
#
# 25 ILE HB 25 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 365, 366, 367,
&end
#
# 28 PHE HN 74 ILE QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1124,1125,1126,
&end
#
# 28 PHE HE 74 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 414, 418,
igr2=1124,1125,1126,
&end
#
# 28 PHE QB 74 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 408, 409,
igr2=1124,1125,1126,
&end
#
# 24 GLU QG 74 ILE QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 344, 345,
igr2=1124,1125,1126,
&end
#
# 74 ILE QD1 79 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1124,1125,1126,
&end
#
# 27 GLN QB 74 ILE QD1 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 391, 392,
igr2=1124,1125,1126,
&end
#
# 16 LEU HN 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 79 ILE HN 79 ILE QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1212,1213,1214,
&end
#
# 17 PRO HG2 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 74 ILE QG2 79 ILE QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1117,1118,1119,
igr2=1212,1213,1214,
&end
#
# 16 LEU QD2 79 ILE QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 228, 229, 230,
igr2=1212,1213,1214,
&end
#
# 79 ILE QG2 79 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1205,1206,1207,
igr2=1212,1213,1214,
&end
#
# 74 ILE QD1 79 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1124,1125,1126,
igr2=1212,1213,1214,
&end
#
# 33 GLU HN 34 ILE HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 481, 496, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 33 GLU QB 34 ILE HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 485, 486,
&end
#
# 34 ILE HN 34 ILE HG13 4.59
&rst
ixpk= 0, nxpk= 0, iat= 496, 507, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 LYS HE3 41 LEU HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 314, 599, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 40 THR HN 41 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 585, 599, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LYS HE2 41 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 313, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU HN 41 LEU HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 41 LEU HN 41 LEU HG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 599, 606, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 41 LEU HN 41 LEU QD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 612, 613, 614,
&end
#
# 79 ILE QD1 80 GLU HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1212,1213,1214,
&end
#
# 13 LEU HA 80 GLU HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 167,1218, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 14 ARG HN 80 GLU HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 184,1218, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 55 VAL HN 56 GLN HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 803, 819, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 56 GLN HN 57 PHE HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 819, 836, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 39 ILE HN 56 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 566, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE HA 56 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HA 56 GLN HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 568, 819, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 55 VAL HA 56 GLN HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 805, 819, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 38 GLY HA3 56 GLN HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 562, 819, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 56 GLN HN 56 GLN HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 819, 823, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 91 SER HN 92 TYR HN 3.60
&rst
ixpk= 0, nxpk= 0, iat=1400,1411, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 91 SER HB2 92 TYR HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=1404,1411, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 92 TYR HN 92 TYR QB 2.91
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1415,1416,
&end
#
# 89 VAL QG2 92 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1370,1371,1372,
&end
#
# 71 LYS HN 81 VAL HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1050,1233, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 40 THR HN 54 PHE HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 585, 787, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 40 THR HN 54 PHE HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 585, 788, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 40 THR HN 56 GLN HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 585, 819, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 40 THR HN 54 PHE HD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 791, 799,
&end
#
# 40 THR HN 54 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HA 40 THR HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 40 THR HN 55 VAL HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= 585, 805, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 39 ILE HB 40 THR HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 570, 585, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 40 THR HN 40 THR QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 591, 592, 593,
&end
#
# 39 ILE QG2 40 THR HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 572, 573, 574,
&end
#
# 40 THR HN 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 813, 814, 815,
&end
#
# 80 GLU HN 81 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASP HN 49 ILE HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 648, 718, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 44 ASP HN 50 THR HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 648, 737, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 43 VAL HA 44 ASP HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 44 ASP HN 49 ILE HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= 648, 720, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 44 ASP HN 48 LYS HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 648, 698, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 44 ASP HN 45 PRO HD3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 648, 662, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 44 ASP HN 47 GLY HA3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 648, 692, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 44 ASP HN 44 ASP HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 648, 652, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 44 ASP HN 44 ASP HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 648, 653, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 43 VAL HB 44 ASP HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 636, 648, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 44 ASP HN 50 THR QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 743, 744, 745,
&end
#
# 43 VAL QG1 44 ASP HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 638, 639, 640,
&end
#
# 6 ALA HN 6 ALA QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 66, 67, 68,
&end
#
# 66 ALA HN 67 LEU HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 975, 985, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 63 ALA HA 66 ALA HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 930, 975, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 65 LYS HB2 66 ALA HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 957, 975, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 65 LYS HG3 66 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 961, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 GLN HN 28 PHE HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 387, 404, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 PHE HN 29 PHE HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 404, 424, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 28 PHE HN 28 PHE HD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 412, 420,
&end
#
# 25 ILE HA 28 PHE HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 354, 404, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 PHE HN 28 PHE QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 408, 409,
&end
#
# 27 GLN QB 28 PHE HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 391, 392,
&end
#
# 28 PHE HN 74 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 404,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HN 82 PHE HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 141,1249, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 12 ARG HN 84 SER HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 141,1291, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 11 VAL HA 12 ARG HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 12 ARG HN 81 VAL HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= 141,1235, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 12 ARG HN 83 LYS HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 141,1271, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 12 ARG HN 84 SER HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 141,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 12 ARG HN 84 SER HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 141,1296, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 12 ARG HN 82 PHE HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= 141,1254, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 11 VAL HB 12 ARG HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 129, 141, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 12 ARG HN 12 ARG HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 11 VAL QG2 12 ARG HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 135, 136, 137,
&end
#
# 11 VAL HN 57 PHE HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 125, 836, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 57 PHE HN 57 PHE HD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 844, 852,
&end
#
# 57 PHE HN 57 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 846, 850,
&end
#
# 10 PHE HA 57 PHE HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 107, 836, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 56 GLN HA 57 PHE HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 821, 836, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 9 GLY HA3 57 PHE HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 101, 836, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 57 PHE HN 57 PHE HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 836, 841, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 56 GLN HG2 57 PHE HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 826, 836, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 56 GLN HG3 57 PHE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 827, 836, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 55 VAL QG2 57 PHE HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 813, 814, 815,
&end
#
# 44 ASP HA 48 LYS HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 650, 696, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 32 LEU HN 33 GLU HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 462, 481, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 32 LEU HA 33 GLU HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 464, 481, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 33 GLU HN 33 GLU QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 485, 486,
&end
#
# 33 GLU HN 62 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 918, 919, 920,
&end
#
# 44 ASP HN 48 LYS HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 648, 696, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 47 GLY HN 48 LYS HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 689, 696, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 43 VAL HA 48 LYS HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 634, 696, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 44 ASP HB2 48 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLU HB2 48 LYS HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 678, 696, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 46 GLU HB3 48 LYS HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 679, 696, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 48 LYS HN 48 LYS HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat= 696, 701, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 48 LYS HN 48 LYS HG3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 696, 704, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 43 VAL QG1 48 LYS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 638, 639, 640,
&end
#
# 13 LEU HN 13 LEU HG 4.34
&rst
ixpk= 0, nxpk= 0, iat= 165, 172, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 83 LYS HN 84 SER HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat=1269,1295, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 82 PHE HB2 83 LYS HN 3.85
&rst
ixpk= 0, nxpk= 0, iat=1253,1269, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 82 PHE HB3 83 LYS HN 4.16
&rst
ixpk= 0, nxpk= 0, iat=1254,1269, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 83 LYS HN 83 LYS HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1269,1273, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 83 LYS HN 83 LYS HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat=1269,1274, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 54 PHE HD 55 VAL HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 791, 799,
&end
#
# 54 PHE HB2 55 VAL HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 787, 803, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 55 VAL HN 55 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 809, 810, 811,
&end
#
# 54 PHE HB3 55 VAL HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 788, 803, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 55 VAL HN 55 VAL QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 813, 814, 815,
&end
#
# 34 ILE HN 35 VAL HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 496, 515, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 35 VAL HN 57 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 844, 852,
&end
#
# 35 VAL HN 57 PHE HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 515, 838, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 34 ILE HA 35 VAL HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 VAL HN 36 PRO HD3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 515, 533, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 34 ILE QG2 35 VAL HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 502, 503, 504,
&end
#
# 18 PHE HN 18 PHE HD 4.59
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 256, 264,
&end
#
# 18 PHE HN 18 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 258, 262,
&end
#
# 18 PHE HN 18 PHE HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 18 PHE HN 18 PHE HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 248, 253, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 17 PRO HB2 18 PHE HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 241, 248, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 17 PRO HB3 18 PHE HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 242, 248, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 17 PRO HG3 18 PHE HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 239, 248, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 23 GLU HN 25 ILE HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 322, 352, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 22 LYS HA 25 ILE HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 302, 352, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 25 ILE HN 28 PHE QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 408, 409,
&end
#
# 24 GLU HB2 25 ILE HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 341, 352, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 25 ILE HN 25 ILE HB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 352, 356, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 24 GLU HB3 25 ILE HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 342, 352, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 25 ILE HN 25 ILE HG12 3.98
&rst
ixpk= 0, nxpk= 0, iat= 352, 362, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 ILE HN 25 ILE QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 358, 359, 360,
&end
#
# 82 PHE HN 82 PHE HD 4.26
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1257,1265,
&end
#
# 13 LEU HA 82 PHE HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 167,1249, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 81 VAL HA 82 PHE HN 3.18
&rst
ixpk= 0, nxpk= 0, iat=1235,1249, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 82 PHE HN 82 PHE HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1249,1253, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 82 PHE HN 82 PHE HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat=1249,1254, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 81 VAL QG2 82 PHE HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1243,1244,1245,
&end
#
# 59 SER HA 60 GLN HN 2.92
&rst
ixpk= 0, nxpk= 0, iat= 868, 877, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 25 ILE HN 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1124,1125,1126,
&end
#
# 29 PHE HB3 32 LEU HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 429, 462, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 32 LEU HN 32 LEU HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 462, 466, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 32 LEU HN 32 LEU HG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 462, 469, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 32 LEU HN 32 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 471, 472, 473,
&end
#
# 26 VAL HN 28 PHE QB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 408, 409,
&end
#
# 70 HIS HB2 71 LYS HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=1037,1050, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 71 LYS HN 71 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1050,1060, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LYS HN 81 VAL QG1 4.84
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1239,1240,1241,
&end
#
# 71 LYS HN 71 LYS HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1050,1057, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 71 LYS HN 71 LYS HG3 5.35
&rst
ixpk= 0, nxpk= 0, iat=1050,1058, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 25 ILE HN 26 VAL HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 352, 371, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 26 VAL HN 27 GLN QG 4.88
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 394, 395,
&end
#
# 26 VAL HN 26 VAL HB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 371, 375, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 24 GLU HB3 26 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 342, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 GLN HA 63 ALA HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 879, 928, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 57 PHE HB2 63 ALA HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 840, 928, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 57 PHE HB3 63 ALA HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 841, 928, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 62 LEU HB2 63 ALA HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 913, 928, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 62 LEU QD2 63 ALA HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 922, 923, 924,
&end
#
# 83 LYS HN 84 SER HN 5.29
&rst
ixpk= 0, nxpk= 0, iat=1269,1291, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 11 VAL HA 84 SER HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 127,1291, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 83 LYS HA 84 SER HN 3.26
&rst
ixpk= 0, nxpk= 0, iat=1271,1291, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 11 VAL HB 84 SER HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 129,1291, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 83 LYS HG2 84 SER HN 3.77
&rst
ixpk= 0, nxpk= 0, iat=1276,1291, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 11 VAL QG2 84 SER HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 135, 136, 137,
&end
#
# 19 GLY HN 20 CYS HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 268, 275, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 20 CYS HN 20 CYS HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 275, 279, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 20 CYS HN 20 CYS HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 275, 280, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 20 CYS HN 49 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 PRO HG2 20 CYS HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 238, 275, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 65 LYS HN 66 ALA HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 953, 975, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 65 LYS HN 66 ALA HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 953, 977, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 64 GLU HB3 65 LYS HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 943, 953, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 65 LYS HN 65 LYS HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 65 LYS HN 65 LYS HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 65 LYS HN 65 LYS HD2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 953, 963, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 65 LYS HN 65 LYS HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 953, 961, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 48 LYS HN 49 ILE HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 696, 718, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 49 ILE HN 50 THR HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 718, 737, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 18 PHE HD 49 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 264,
&end
#
# 49 ILE HN 49 ILE HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 718, 722, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 48 LYS HB2 49 ILE HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 700, 718, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 49 ILE HN 49 ILE HG12 3.66
&rst
ixpk= 0, nxpk= 0, iat= 718, 728, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 48 LYS HG3 49 ILE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 704, 718, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 49 ILE HN 49 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 731, 732, 733,
&end
#
# 74 ILE HN 77 ARG HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=1111,1154, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 73 ARG HA 77 ARG HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=1089,1154, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 75 GLY HA2 77 ARG HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1132,1154, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 76 HIS HB3 77 ARG HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1142,1154, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 74 ILE QG2 77 ARG HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1117,1118,1119,
&end
#
# 77 ARG HN 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1212,1213,1214,
&end
#
# 60 GLN HN 61 GLU HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 877, 894, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 61 GLU HN 62 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 894, 909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 GLU HN 63 ALA HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 894, 928, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 61 GLU HN 61 GLU QG 4.08
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 901, 902,
&end
#
# 61 GLU HN 61 GLU HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 61 GLU HN 61 GLU HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 894, 899, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 74 ILE HN 79 ILE HN 4.83
&rst
ixpk= 0, nxpk= 0, iat=1111,1199, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 73 ARG HN 74 ILE HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=1087,1111, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 73 ARG HA 74 ILE HN 3.46
&rst
ixpk= 0, nxpk= 0, iat=1089,1111, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 73 ARG HB2 74 ILE HN 3.71
&rst
ixpk= 0, nxpk= 0, iat=1091,1111, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 74 ILE HN 74 ILE QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1117,1118,1119,
&end
#
# 74 ILE HN 79 ILE QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1212,1213,1214,
&end
#
# 74 ILE HN 74 ILE QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1124,1125,1126,
&end
#
# 62 LEU HN 63 ALA HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= 909, 928, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 62 LEU HN 63 ALA HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 909, 930, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 57 PHE HB2 62 LEU HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 840, 909, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 57 PHE HB3 62 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 841, 909, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 LEU HN 62 LEU HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 909, 913, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 58 ALA QB 62 LEU HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 860, 861, 862,
&end
#
# 62 LEU HN 62 LEU HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 909, 914, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 87 GLU HA 90 ARG HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1332,1376, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 90 ARG HN 90 ARG QD 5.16
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1386,1387,
&end
#
# 90 ARG HN 90 ARG HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1376,1383, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 89 VAL QG2 90 ARG HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1370,1371,1372,
&end
#
# 89 VAL QG1 90 ARG HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1366,1367,1368,
&end
#
# 22 LYS HN 24 GLU HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= 300, 337, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 39 ILE HN 40 THR HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 566, 585, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 39 ILE HN 55 VAL HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 566, 805, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 37 ASN HA 39 ILE HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 547, 566, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 37 ASN HB3 39 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 550, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HN 39 ILE HB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 566, 570, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 39 ILE HN 39 ILE QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 572, 573, 574,
&end
#
# 86 GLN HA 90 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1315,1376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR HN 22 LYS HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 286, 300, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 LYS HN 22 LYS QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 304, 305,
&end
#
# 22 LYS HN 22 LYS HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 300, 308, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 14 ARG HN 15 GLY HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 184, 208, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 8 ASP HN 9 GLY HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 86, 98, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 8 ASP HN 8 ASP QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 90, 91,
&end
#
# 14 ARG HN 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG HN 82 PHE HE 5.20
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1259,1263,
&end
#
# 13 LEU HA 14 ARG HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 167, 184, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 14 ARG HN 14 ARG HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 184, 188, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 13 LEU HB2 14 ARG HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 169, 184, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 13 LEU HB3 14 ARG HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 170, 184, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 13 LEU QD1 14 ARG HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 174, 175, 176,
&end
#
# 8 ASP HN 9 GLY HA2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 86, 100, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 6 ALA QB 8 ASP HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 66, 67, 68,
&end
#
# 51 GLY HN 52 GLU HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 751, 758, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 52 GLU HN 52 GLU HG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 758, 765, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 52 GLU HN 52 GLU HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 758, 766, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 52 GLU HN 52 GLU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 758, 763, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 50 THR QG2 52 GLU HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 743, 744, 745,
&end
#
# 16 LEU QD1 52 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 224, 225, 226,
&end
#
# 10 PHE HN 10 PHE HD 3.81
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 113, 121,
&end
#
# 10 PHE HN 10 PHE HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 10 PHE HN 10 PHE HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 72 GLU HN 80 GLU HA 4.74
&rst
ixpk= 0, nxpk= 0, iat=1072,1220, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 85 SER HN 88 GLU HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1302,1345, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 88 GLU HN 89 VAL HN 3.54
&rst
ixpk= 0, nxpk= 0, iat=1345,1360, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 86 GLN HA 88 GLU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=1315,1345, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 88 GLU HN 88 GLU HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat=1345,1350, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 88 GLU HN 89 VAL HB 4.98
&rst
ixpk= 0, nxpk= 0, iat=1345,1364, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 88 GLU HN 89 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1370,1371,1372,
&end
#
# 88 GLU HN 89 VAL QG1 4.84
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1366,1367,1368,
&end
#
# 10 PHE HN 11 VAL HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 105, 125, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 10 PHE HN 11 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 131, 132, 133,
&end
#
# 71 LYS HN 72 GLU HN 4.04
&rst
ixpk= 0, nxpk= 0, iat=1050,1072, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 28 PHE HZ 72 GLU HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 416,1072, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 72 GLU HN 72 GLU QB 3.24
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1076,1077,
&end
#
# 72 GLU HN 72 GLU HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1072,1080, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 24 GLU HN 24 GLU QG 3.38
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 344, 345,
&end
#
# 24 GLU HN 25 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR HN 24 GLU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 286, 337, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 24 GLU HN 26 VAL HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 337, 371, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 24 GLU HN 25 ILE HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 337, 352, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 24 GLU HN 24 GLU HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 24 GLU HN 24 GLU HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 72 GLU HN 73 ARG HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=1072,1087, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 28 PHE HE 72 GLU HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 414, 418,
&end
#
# 69 LYS HN 70 HIS HA 5.41
&rst
ixpk= 0, nxpk= 0, iat=1011,1035, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 69 LYS HN 70 HIS HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1011,1037, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 69 LYS HN 72 GLU QB 5.05
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1076,1077,
&end
#
# 28 PHE HE 69 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 414, 418,
&end
#
# 69 LYS HN 69 LYS HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1011,1015, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 15 GLY HN 16 LEU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 208, 215, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 16 LEU HN 17 PRO HD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 215, 235, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 16 LEU HN 16 LEU HG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 215, 222, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 66 ALA HA 69 LYS HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 977,1011, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 69 LYS HN 69 LYS HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat=1011,1016, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 69 LYS HN 69 LYS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1011,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 LYS HN 81 VAL QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1243,1244,1245,
&end
#
# 67 LEU QD2 69 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 998, 999,1000,
&end
#
# 70 HIS HN 81 VAL HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=1033,1233, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 70 HIS HN 71 LYS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1033,1050, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 70 HIS HN 72 GLU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat=1033,1072, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 69 LYS HN 70 HIS HN 3.60
&rst
ixpk= 0, nxpk= 0, iat=1011,1033, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 70 HIS HN 70 HIS HD2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1033,1046, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 67 LEU HA 70 HIS HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 987,1033, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 70 HIS HN 70 HIS HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1033,1037, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 70 HIS HN 70 HIS HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat=1033,1038, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 70 HIS HN 81 VAL HB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1033,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 LYS HB3 70 HIS HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=1016,1033, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 69 LYS HD2 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1021,1033, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HN 81 VAL QG1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1239,1240,1241,
&end
#
# 23 GLU HN 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLU HN 24 GLU HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 322, 337, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 23 GLU HN 23 GLU HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 22 LYS HN 23 GLU HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 300, 322, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 23 GLU HN 23 GLU HG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 322, 329, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 23 GLU HN 23 GLU HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 57 PHE HN 58 ALA HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 836, 856, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 35 VAL HN 58 ALA HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 515, 856, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 57 PHE HD 58 ALA HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 844, 852,
&end
#
# 57 PHE HA 58 ALA HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 838, 856, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 57 PHE HB2 58 ALA HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 840, 856, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 57 PHE HB3 58 ALA HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 841, 856, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 58 ALA HN 62 LEU HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 856, 913, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 58 ALA HN 58 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 860, 861, 862,
&end
#
# 58 ALA HN 62 LEU QD2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 922, 923, 924,
&end
#
# 35 VAL QG1 58 ALA HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 521, 522, 523,
&end
#
# 7 ASN HN 8 ASP HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 72, 86, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 7 ASN HN 7 ASN HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 72, 77, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 52 GLU HN 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 758, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU HB2 53 ALA HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 762, 773, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 52 GLU HB3 53 ALA HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 763, 773, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 13 LEU HB2 53 ALA HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 169, 773, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 13 LEU HN 53 ALA HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 165, 773, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 53 ALA HN 54 PHE HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 773, 783, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 53 ALA HN 54 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 791, 799,
&end
#
# 52 GLU HA 53 ALA HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= 760, 773, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 14 ARG HA 53 ALA HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 186, 773, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 52 GLU HG2 53 ALA HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 52 GLU HG3 53 ALA HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 766, 773, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 53 ALA HN 53 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 777, 778, 779,
&end
#
# 85 SER HN 89 VAL HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=1302,1360, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 89 VAL HN 90 ARG HN 3.87
&rst
ixpk= 0, nxpk= 0, iat=1360,1376, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 89 VAL HN 90 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1360,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 GLN HA 89 VAL HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=1315,1360, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 89 VAL HN 89 VAL HB 3.54
&rst
ixpk= 0, nxpk= 0, iat=1360,1364, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 89 VAL HN 89 VAL QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1370,1371,1372,
&end
#
# 28 PHE HE 73 ARG HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1087, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 414, 418,
&end
#
# 73 ARG HN 73 ARG HD2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1087,1097, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 72 GLU QB 73 ARG HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1087, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=1076,1077,
&end
#
# 73 ARG HN 73 ARG HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat=1087,1092, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 73 ARG HN 73 ARG HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat=1087,1095, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 40 THR HN 54 PHE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 585, 783, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 54 PHE HN 54 PHE HD 4.04
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 791, 799,
&end
#
# 53 ALA HA 54 PHE HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 775, 783, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 42 PRO HD3 54 PHE HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 620, 783, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 54 PHE HN 54 PHE HB3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 783, 788, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 77 ARG HN 78 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 GLN HN 87 GLU HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=1313,1330, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 87 GLU HN 88 GLU HN 3.58
&rst
ixpk= 0, nxpk= 0, iat=1330,1345, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 87 GLU HN 89 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1330,1360, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 85 SER HA 87 GLU HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1304,1330, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 87 GLU HN 87 GLU QG 3.81
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1337,1338,
&end
#
# 87 GLU HN 87 GLU QB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1334,1335,
&end
#
# 87 GLU HN 89 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1366,1367,1368,
&end
#
# 78 TYR HN 78 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1188,1193,
&end
#
# 78 TYR HN 78 TYR HD 4.79
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1186,1195,
&end
#
# 77 ARG HB2 78 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 55 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 813, 814, 815,
&end
#
# 11 VAL HN 55 VAL HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 125, 803, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 11 VAL HN 84 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125,1291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE HD 11 VAL HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 113, 121,
&end
#
# 11 VAL HN 57 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 846, 850,
&end
#
# 11 VAL HN 56 GLN HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 125, 821, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 10 PHE HB3 11 VAL HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 110, 125, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 VAL HN 11 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 131, 132, 133,
&end
#
# 20 CYS HN 21 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 275, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 CYS HB2 21 THR HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 279, 286, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 21 THR HN 24 GLU HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 286, 341, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 21 THR HN 41 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 608, 609, 610,
&end
#
# 64 GLU HN 65 LYS HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 938, 953, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 63 ALA HN 64 GLU HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 928, 938, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 57 PHE HB3 64 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 841, 938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 GLU HN 67 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 994, 995, 996,
&end
#
# 26 VAL HN 27 GLN HN 3.35
&rst
ixpk= 0, nxpk= 0, iat= 371, 387, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 25 ILE HN 27 GLN HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 352, 387, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 27 GLN HN 28 PHE QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 408, 409,
&end
#
# 27 GLN HN 27 GLN QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 391, 392,
&end
#
# 26 VAL QG2 27 GLN HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 381, 382, 383,
&end
#
# 10 PHE HD 85 SER HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 113, 121,
&end
#
# 84 SER HB2 85 SER HN 4.14
&rst
ixpk= 0, nxpk= 0, iat=1295,1302, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 10 PHE HB3 85 SER HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 110,1302, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 85 SER HN 89 VAL QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1366,1367,1368,
&end
#
# 84 SER HN 85 SER HN 5.22
&rst
ixpk= 0, nxpk= 0, iat=1291,1302, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 84 SER HB3 85 SER HN 4.26
&rst
ixpk= 0, nxpk= 0, iat=1296,1302, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 10 PHE HB2 85 SER HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 109,1302, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 74 ILE HN 75 GLY HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=1111,1130, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 74 ILE HA 75 GLY HN 3.20
&rst
ixpk= 0, nxpk= 0, iat=1113,1130, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 74 ILE QG2 75 GLY HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1117,1118,1119,
&end
#
# 74 ILE QD1 75 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1124,1125,1126,
&end
#
# 44 ASP HN 46 GLU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 648, 674, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 45 PRO HD2 46 GLU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 661, 674, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 45 PRO HD3 46 GLU HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 662, 674, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 44 ASP HB2 46 GLU HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 652, 674, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 46 GLU HN 46 GLU HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 674, 678, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 46 GLU HN 46 GLU HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 674, 679, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 45 PRO HB3 46 GLU HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 668, 674, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 43 VAL HN 44 ASP HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 632, 648, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 43 VAL HN 50 THR QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 743, 744, 745,
&end
#
# 67 LEU HN 68 GLY HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 985,1004, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 67 LEU HN 67 LEU HG 3.40
&rst
ixpk= 0, nxpk= 0, iat= 985, 992, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 67 LEU HN 67 LEU HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 67 LEU HN 67 LEU QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 994, 995, 996,
&end
#
# 66 ALA QB 67 LEU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 979, 980, 981,
&end
#
# 31 GLY HN 32 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 455, 462, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 27 GLN HN 29 PHE HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 387, 424, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 29 PHE HN 57 PHE HE 5.17
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 846, 850,
&end
#
# 28 PHE HD 29 PHE HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 412, 420,
&end
#
# 29 PHE HN 30 SER HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 424, 446, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 29 PHE HN 29 PHE HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 PHE HN 29 PHE HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 25 ILE QG2 29 PHE HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 358, 359, 360,
&end
#
# 29 PHE HN 34 ILE QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 509, 510, 511,
&end
#
# 29 PHE HN 32 LEU QD1 5.27
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 471, 472, 473,
&end
#
# 29 PHE HN 32 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 SER HN 91 SER HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 90 ARG HN 91 SER HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=1376,1400, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 91 SER HN 92 TYR QB 4.72
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1415,1416,
&end
#
# 89 VAL HA 91 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1362,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 VAL QG2 91 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1370,1371,1372,
&end
#
# 30 SER HN 31 GLY HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 30 SER HN 32 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 444, 462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HN 30 SER HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 404, 444, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 29 PHE HN 30 SER HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 424, 444, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 30 SER HN 30 SER HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat= 444, 448, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 29 PHE HB3 30 SER HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 429, 444, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 27 GLN QB 30 SER HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 391, 392,
&end
#
# 26 VAL QG2 30 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 381, 382, 383,
&end
#
# 30 SER HN 32 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 471, 472, 473,
&end
#
# 37 ASN HND2 39 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ARG HB2 15 GLY HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 188, 208, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 15 GLY HN 52 GLU HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 208, 760, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 50 THR HN 52 GLU HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 737, 758, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 43 VAL HA 50 THR HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 634, 737, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 ILE HA 50 THR HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 720, 737, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 50 THR HN 51 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 737, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ILE HB 50 THR HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 722, 737, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 49 ILE HG12 50 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 728, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ILE QD1 50 THR HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 731, 732, 733,
&end
#
# 7 ASN HB2 7 ASN HND1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 76, 81, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 7 ASN HB3 7 ASN HND1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 77, 81, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 60 GLN HA 60 GLN HNE1 5.33
&rst
ixpk= 0, nxpk= 0, iat= 879, 889, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 60 GLN HNE1 83 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1282,1283,
&end
#
# 60 GLN HNE2 83 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1282,1283,
&end
#
# 60 GLN HNE2 63 ALA QB 5.46
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 932, 933, 934,
&end
#
# 26 VAL QG2 27 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 381, 382, 383,
&end
#
# 60 GLN QG 60 GLN HNE1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 884, 885,
&end
#
# 60 GLN HNE1 63 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 932, 933, 934,
&end
#
# 27 GLN HN 27 GLN HNE1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 387, 399, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 26 VAL QG2 27 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 381, 382, 383,
&end
#
# 10 PHE HD 86 GLN HNE1 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 113, 121,
&end
#
# 86 GLN HB3 86 GLN HNE1 5.10
&rst
ixpk= 0, nxpk= 0, iat=1318,1325, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 86 GLN HNE2 89 VAL HB 5.48
&rst
ixpk= 0, nxpk= 0, iat=1326,1364, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 86 GLN HNE2 89 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1370,1371,1372,
&end
#
# 86 GLN HNE2 89 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1366,1367,1368,
&end
#
# 86 GLN HNE1 89 VAL HB 5.09
&rst
ixpk= 0, nxpk= 0, iat=1325,1364, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 86 GLN HNE1 89 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1370,1371,1372,
&end
#
# 86 GLN HA 86 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1315,1326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASP QB 56 GLN HNE1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 90, 91,
&end
#
# 8 ASP QB 56 GLN HNE2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 90, 91,
&end
#
# 10 PHE HN 56 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLN HA 56 GLN HNE1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 35 VAL QG1 56 GLN HNE2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 832, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 521, 522, 523,
&end
#
# 18 PHE HD 19 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 264,
&end
#
# 19 GLY HN 49 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 268, 728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 GLY HN 49 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 731, 732, 733,
&end
#
# 46 GLU HN 47 GLY HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 674, 689, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 46 GLU HB2 47 GLY HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 678, 689, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 46 GLU HB3 47 GLY HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 679, 689, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 43 VAL HB 47 GLY HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 636, 689, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 50 THR HN 51 GLY HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 737, 751, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 49 ILE HA 51 GLY HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 720, 751, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 49 ILE HB 51 GLY HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 722, 751, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 57 PHE HN 59 SER HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 836, 866, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 58 ALA HN 59 SER HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 856, 866, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 59 SER HN 62 LEU HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 866, 909, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 56 GLN HG2 59 SER HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 826, 866, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 58 ALA QB 59 SER HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 860, 861, 862,
&end
#
# 8 ASP QB 9 GLY HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 90, 91,
&end
#
# 9 GLY HN 63 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 932, 933, 934,
&end
#
# 67 LEU QD1 68 GLY HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 994, 995, 996,
&end
#
# 66 ALA HA 68 GLY HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 977,1004, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 38 GLY HN 56 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 39 ILE HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 559, 566, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 35 VAL HB 38 GLY HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 519, 559, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 38 GLY HN 39 ILE HB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 559, 570, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 34 ILE QG2 38 GLY HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 502, 503, 504,
&end
#
# 35 VAL QG2 38 GLY HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 525, 526, 527,
&end
#
# 17 PRO HA 76 HIS HE1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 244,1147, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 17 PRO HB3 76 HIS HE1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 242,1147, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 17 PRO HG3 76 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE QG2 76 HIS HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1117,1118,1119,
&end
#
# 60 GLN HB2 60 GLN HNE1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 881, 889, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 28 PHE HE 29 PHE HE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 414, 418,
igr2= 434, 438,
&end
#
# 29 PHE HE 69 LYS HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 434, 438,
&end
#
# 13 LEU QD1 29 PHE HE 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 174, 175, 176,
igr2= 434, 438,
&end
#
# 29 PHE HE 66 ALA QB 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 434, 438,
igr2= 979, 980, 981,
&end
#
# 70 HIS HE1 71 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1064,
&end
#
# 8 ASP HA 56 GLN HNE1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 88, 831, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 86 GLN HNE1 90 ARG HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=1325,1378, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 86 GLN HNE1 90 ARG HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat=1325,1381, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 56 GLN HG3 56 GLN HNE1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 25 ILE HA 29 PHE HD 5.47
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 432, 440,
&end
#
# 29 PHE HD 57 PHE HE 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 432, 440,
igr2= 846, 850,
&end
#
# 29 PHE HD 69 LYS HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 432, 440,
&end
#
# 29 PHE HD 69 LYS HD2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 432, 440,
&end
#
# 25 ILE QG2 29 PHE HD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 358, 359, 360,
igr2= 432, 440,
&end
#
# 29 PHE HD 66 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 432, 440,
igr2= 979, 980, 981,
&end
#
# 29 PHE HD 32 LEU QD2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 432, 440,
igr2= 475, 476, 477,
&end
#
# 10 PHE HE 56 GLN HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 115, 119,
&end
#
# 10 PHE HE 86 GLN HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 115, 119,
&end
#
# 80 GLU QB 82 PHE HZ 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1222,1223,
&end
#
# 10 PHE HE 86 GLN HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 115, 119,
&end
#
# 10 PHE HE 56 GLN HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 115, 119,
&end
#
# 10 PHE HE 56 GLN HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 115, 119,
&end
#
# 10 PHE HE 89 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 115, 119,
igr2=1370,1371,1372,
&end
#
# 10 PHE HE 89 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 115, 119,
igr2=1366,1367,1368,
&end
#
# 92 TYR HA 92 TYR HD 3.68
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1419,1428,
&end
#
# 90 ARG HA 92 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1419,1428,
&end
#
# 54 PHE HZ 88 GLU HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 795,1347, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 10 PHE HZ 86 GLN HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 117,1315, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 54 PHE HZ 88 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1352,1353,
&end
#
# 10 PHE HZ 86 GLN HG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 117,1320, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 10 PHE HZ 86 GLN HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 117,1317, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 40 THR QG2 92 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 591, 592, 593,
igr2=1419,1428,
&end
#
# 10 PHE HZ 89 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1366,1367,1368,
&end
#
# 10 PHE HA 10 PHE HD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 113, 121,
&end
#
# 10 PHE HD 56 GLN HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 113, 121,
&end
#
# 8 ASP QB 10 PHE HD 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 90, 91,
igr2= 113, 121,
&end
#
# 10 PHE HD 89 VAL HB 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 113, 121,
&end
#
# 10 PHE HD 89 VAL QG1 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 113, 121,
igr2=1366,1367,1368,
&end
#
# 70 HIS HB2 70 HIS HD2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1037,1046, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 54 PHE HA 54 PHE HD 3.85
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 791, 799,
&end
#
# 40 THR HB 54 PHE HD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 791, 799,
&end
#
# 12 ARG HD2 54 PHE HD 4.17
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 791, 799,
&end
#
# 28 PHE HZ 72 GLU QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1076,1077,
&end
#
# 80 GLU HG3 82 PHE HE 4.48
&rst
ixpk= 0, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1259,1263,
&end
#
# 28 PHE HZ 79 ILE HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 416,1203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 PHE HD 88 GLU HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 791, 799,
&end
#
# 40 THR QG2 54 PHE HD 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 591, 592, 593,
igr2= 791, 799,
&end
#
# 54 PHE HD 89 VAL QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 791, 799,
igr2=1370,1371,1372,
&end
#
# 12 ARG HD3 82 PHE HD 3.83
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1257,1265,
&end
#
# 82 PHE HA 82 PHE HD 3.73
&rst
ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1257,1265,
&end
#
# 14 ARG HB2 82 PHE HD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1257,1265,
&end
#
# 34 ILE QD1 57 PHE HD 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 509, 510, 511,
igr2= 844, 852,
&end
#
# 56 GLN HA 57 PHE HD 4.79
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 844, 852,
&end
#
# 57 PHE HD 62 LEU HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 844, 852,
&end
#
# 11 VAL QG1 57 PHE HD 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 131, 132, 133,
igr2= 844, 852,
&end
#
# 55 VAL QG2 57 PHE HD 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 813, 814, 815,
igr2= 844, 852,
&end
#
# 34 ILE HG13 57 PHE HD 5.10
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 844, 852,
&end
#
# 76 HIS HD2 77 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1150,1156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 HIS HB3 76 HIS HD2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1142,1150, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 18 PHE HA 18 PHE HD 3.85
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 256, 264,
&end
#
# 71 LYS HA 78 TYR HD 4.55
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1186,1195,
&end
#
# 71 LYS QE 78 TYR HD 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1063,1064,
igr2=1186,1195,
&end
#
# 71 LYS HG2 78 TYR HD 5.06
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1186,1195,
&end
#
# 28 PHE HE 79 ILE HB 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 414, 418,
&end
#
# 28 PHE HE 29 PHE HD 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 414, 418,
igr2= 432, 440,
&end
#
# 28 PHE HA 28 PHE HE 4.43
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 414, 418,
&end
#
# 28 PHE HE 72 GLU QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 414, 418,
igr2=1076,1077,
&end
#
# 28 PHE HE 69 LYS HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 414, 418,
&end
#
# 28 PHE HE 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 414, 418,
igr2=1212,1213,1214,
&end
#
# 29 PHE HB2 57 PHE HE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 846, 850,
&end
#
# 11 VAL QG1 57 PHE HE 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 131, 132, 133,
igr2= 846, 850,
&end
#
# 34 ILE QD1 57 PHE HE 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 509, 510, 511,
igr2= 846, 850,
&end
#
# 34 ILE HG13 57 PHE HE 5.35
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 846, 850,
&end
#
# 70 HIS HE1 78 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1188,1193,
&end
#
# 71 LYS HA 78 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1188,1193,
&end
#
# 28 PHE HD 29 PHE HE 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 412, 420,
igr2= 434, 438,
&end
#
# 28 PHE HD 29 PHE HD 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 412, 420,
igr2= 432, 440,
&end
#
# 28 PHE HA 28 PHE HD 3.65
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 412, 420,
&end
#
# 25 ILE HA 28 PHE HD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 412, 420,
&end
#
# 28 PHE HD 72 GLU QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 412, 420,
igr2=1076,1077,
&end
#
# 28 PHE HD 79 ILE HB 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 412, 420,
&end
#
# 28 PHE HD 81 VAL QG1 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 412, 420,
igr2=1239,1240,1241,
&end
#
# 28 PHE HD 74 ILE HG12 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 412, 420,
&end
#
# 28 PHE HD 74 ILE HG13 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 412, 420,
&end
#
# 28 PHE HD 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 412, 420,
igr2=1205,1206,1207,
&end
#
# 28 PHE HD 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 412, 420,
igr2=1212,1213,1214,
&end
#
# 28 PHE HD 74 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 412, 420,
igr2=1124,1125,1126,
&end
#
# 10 PHE HA 10 PHE HE 4.93
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 115, 119,
&end
#
# 12 ARG HA 54 PHE HD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 791, 799,
&end
#
# 73 ARG HA 73 ARG HD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1089,1097, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 73 ARG HA 79 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1212,1213,1214,
&end
#
# 73 ARG HA 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1089,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PHE HE 85 SER HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 115, 119,
&end
#
# 10 PHE HD 85 SER HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 113, 121,
&end
#
# 10 PHE HA 85 SER HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 107,1304, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 10 PHE HB2 85 SER HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= 109,1304, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 PHE HB3 85 SER HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 110,1304, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 42 PRO HA 43 VAL HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 628, 634, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 11 VAL HA 83 LYS HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= 127,1271, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 42 PRO HG3 53 ALA HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 623, 775, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 29 PHE HA 29 PHE HE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 434, 438,
&end
#
# 29 PHE HA 29 PHE HD 3.65
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 432, 440,
&end
#
# 8 ASP HA 10 PHE HD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 113, 121,
&end
#
# 21 THR HA 41 LEU QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 608, 609, 610,
&end
#
# 70 HIS HE1 80 GLU HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1043,1220, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 ARG HA 52 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 186, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HG 51 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, 753, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HE 72 GLU HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 414, 418,
&end
#
# 70 HIS HA 81 VAL HB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1035,1237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 HIS HE1 77 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1147,1156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE HA 18 PHE HE 4.82
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 258, 262,
&end
#
# 50 THR HA 50 THR QG2 3.14
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 743, 744, 745,
&end
#
# 46 GLU HA 46 GLU HB2 2.71
&rst
ixpk= 0, nxpk= 0, iat= 676, 678, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 91 SER HA 91 SER HB2 2.84
&rst
ixpk= 0, nxpk= 0, iat=1402,1404, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 46 GLU HA 46 GLU HB3 2.95
&rst
ixpk= 0, nxpk= 0, iat= 676, 679, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 6 ALA HA 83 LYS QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1282,1283,
&end
#
# 92 TYR HA 92 TYR HE 4.89
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1421,1426,
&end
#
# 83 LYS HA 83 LYS QE 4.04
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1282,1283,
&end
#
# 69 LYS HA 72 GLU QB 3.99
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1076,1077,
&end
#
# 27 GLN QB 28 PHE HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 391, 392,
&end
#
# 90 ARG HA 90 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1386,1387,
&end
#
# 27 GLN QG 30 SER HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 394, 395,
&end
#
# 27 GLN QB 30 SER HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 391, 392,
&end
#
# 33 GLU HA 33 GLU HG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 483, 488, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 33 GLU HA 33 GLU QB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 485, 486,
&end
#
# 27 GLN HA 27 GLN QG 3.24
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 394, 395,
&end
#
# 10 PHE HA 56 GLN HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= 107, 821, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 35 VAL QG2 56 GLN HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 525, 526, 527,
&end
#
# 61 GLU HA 64 GLU HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 896, 945, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 61 GLU HA 61 GLU HB2 2.97
&rst
ixpk= 0, nxpk= 0, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 24 GLU HA 24 GLU HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat= 339, 342, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 65 LYS HA 65 LYS HG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 955, 960, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 34 ILE HA 35 VAL QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 525, 526, 527,
&end
#
# 28 PHE HE 74 ILE HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 414, 418,
&end
#
# 64 GLU HA 64 GLU HG3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 940, 946, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 35 VAL HB 36 PRO HD2 3.10
&rst
ixpk= 0, nxpk= 0, iat= 519, 532, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 67 LEU HA 67 LEU QD2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 998, 999,1000,
&end
#
# 28 PHE HD 74 ILE HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 412, 420,
&end
#
# 63 ALA QB 64 GLU HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 932, 933, 934,
&end
#
# 74 ILE HA 74 ILE QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1124,1125,1126,
&end
#
# 54 PHE HD 88 GLU HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 791, 799,
&end
#
# 22 LYS HA 25 ILE HB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 302, 356, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 8 ASP HA 9 GLY HA2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 88, 100, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 LYS HA 22 LYS HE3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 302, 314, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 87 GLU HA 90 ARG QD 3.86
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1386,1387,
&end
#
# 87 GLU HA 87 GLU QG 3.33
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1337,1338,
&end
#
# 87 GLU HA 87 GLU QB 2.74
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2=1334,1335,
&end
#
# 62 LEU HA 62 LEU HG 3.49
&rst
ixpk= 0, nxpk= 0, iat= 911, 916, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 16 LEU HA 79 ILE QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1205,1206,1207,
&end
#
# 16 LEU HA 79 ILE HG13 5.48
&rst
ixpk= 0, nxpk= 0, iat= 217,1210, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 16 LEU HB2 17 PRO HD3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 219, 236, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 73 ARG HB3 73 ARG HD2 3.21
&rst
ixpk= 0, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 62 LEU HA 65 LYS QE 3.76
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 966, 967,
&end
#
# 10 PHE HE 86 GLN HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 115, 119,
&end
#
# 86 GLN HA 87 GLU HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1315,1332, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 18 PHE HD 49 ILE HB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 256, 264,
&end
#
# 49 ILE HB 51 GLY HA2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 722, 753, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 18 PHE HA 49 ILE HB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 250, 722, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 69 LYS HG3 69 LYS HE2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1019,1024, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 70 HIS HE1 80 GLU HG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1043,1225, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 78 TYR HE 80 GLU HG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1188,1193,
&end
#
# 46 GLU HA 46 GLU QG 2.83
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 681, 682,
&end
#
# 70 HIS HE1 80 GLU HG3 4.80
&rst
ixpk= 0, nxpk= 0, iat=1043,1226, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 78 TYR HE 80 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1188,1193,
&end
#
# 17 PRO HB2 76 HIS HE1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 241,1147, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 44 ASP HB3 45 PRO HG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 653, 664, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 10 PHE HZ 86 GLN HG3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 117,1321, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 10 PHE HE 86 GLN HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 115, 119,
&end
#
# 44 ASP HB3 46 GLU HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 653, 679, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 60 GLN HB3 83 LYS QE 4.80
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1282,1283,
&end
#
# 70 HIS HE1 80 GLU QB 4.43
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1222,1223,
&end
#
# 10 PHE HE 86 GLN HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 115, 119,
&end
#
# 29 PHE HE 69 LYS HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 434, 438,
&end
#
# 20 CYS HA 24 GLU HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat= 277, 342, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 24 GLU HB3 24 GLU QG 2.93
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 344, 345,
&end
#
# 34 ILE HG12 55 VAL QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 813, 814, 815,
&end
#
# 90 ARG HA 90 ARG HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1378,1383, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 34 ILE HB 57 PHE HE 5.12
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 846, 850,
&end
#
# 86 GLN HA 89 VAL HB 4.30
&rst
ixpk= 0, nxpk= 0, iat=1315,1364, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 10 PHE HE 89 VAL HB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 115, 119,
&end
#
# 57 PHE HD 62 LEU QD1 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 844, 852,
igr2= 918, 919, 920,
&end
#
# 69 LYS HA 69 LYS HD2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1013,1021, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 40 THR QG2 92 TYR HE 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 591, 592, 593,
igr2=1421,1426,
&end
#
# 40 THR QG2 41 LEU HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 591, 592, 593,
&end
#
# 40 THR QG2 53 ALA HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 591, 592, 593,
&end
#
# 69 LYS HG3 81 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1239,1240,1241,
&end
#
# 49 ILE QG2 50 THR QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 724, 725, 726,
igr2= 743, 744, 745,
&end
#
# 28 PHE HZ 81 VAL QG1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1239,1240,1241,
&end
#
# 70 HIS HB2 81 VAL QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1239,1240,1241,
&end
#
# 25 ILE QG2 29 PHE HE 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 358, 359, 360,
igr2= 434, 438,
&end
#
# 22 LYS HG3 39 ILE QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 579, 580, 581,
&end
#
# 18 PHE HA 49 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 731, 732, 733,
&end
#
# 16 LEU QD2 49 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 228, 229, 230,
igr2= 731, 732, 733,
&end
#
# 22 LYS HE3 39 ILE QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 572, 573, 574,
&end
#
# 25 ILE QD1 39 ILE QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 365, 366, 367,
igr2= 572, 573, 574,
&end
#
# 41 LEU HB2 41 LEU QD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 612, 613, 614,
&end
#
# 34 ILE HB 34 ILE QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 509, 510, 511,
&end
#
# 28 PHE HD 74 ILE QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 412, 420,
igr2=1117,1118,1119,
&end
#
# 35 VAL QG1 36 PRO HD2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 521, 522, 523,
&end
#
# 35 VAL QG1 58 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 521, 522, 523,
igr2= 860, 861, 862,
&end
#
# 29 PHE HE 32 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 434, 438,
igr2= 475, 476, 477,
&end
#
# 32 LEU QD2 57 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 475, 476, 477,
igr2= 844, 852,
&end
#
# 32 LEU QD2 57 PHE HE 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 475, 476, 477,
igr2= 846, 850,
&end
#
# 32 LEU QD2 66 ALA HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 475, 476, 477,
&end
#
# 29 PHE HE 32 LEU QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 434, 438,
igr2= 471, 472, 473,
&end
#
# 32 LEU QD1 57 PHE HD 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 471, 472, 473,
igr2= 844, 852,
&end
#
# 35 VAL QG2 58 ALA HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 525, 526, 527,
&end
#
# 13 LEU HB3 16 LEU QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 224, 225, 226,
&end
#
# 71 LYS HG2 78 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1188,1193,
&end
#
# 70 HIS HD2 71 LYS HG2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1046,1057, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 13 LEU HB3 79 ILE QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1205,1206,1207,
&end
#
# 54 PHE HD 89 VAL QG1 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 791, 799,
igr2=1366,1367,1368,
&end
#
# 89 VAL QG1 90 ARG HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1366,1367,1368,
&end
#
# 54 PHE HB3 89 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1366,1367,1368,
&end
#
# 86 GLN HB2 89 VAL QG1 5.38
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1366,1367,1368,
&end
#
# 24 GLU HB2 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1124,1125,1126,
&end
#
# 25 ILE HG12 74 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1124,1125,1126,
&end
#
# 25 ILE QG2 55 VAL QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 358, 359, 360,
igr2= 813, 814, 815,
&end
#
# 14 ARG HE 82 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1257,1265,
&end
#
# 14 ARG HE 82 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1259,1263,
&end
#
# 14 ARG HE 82 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 197,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 VAL HN 55 VAL O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 125, 817, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 11 VAL N 55 VAL O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 124, 817, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 12 ARG HN 82 PHE O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 141,1267, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 12 ARG N 82 PHE O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 140,1267, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 13 LEU HN 53 ALA O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 165, 781, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 13 LEU N 53 ALA O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 164, 781, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 14 ARG HN 80 GLU O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 184,1231, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 14 ARG N 80 GLU O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 183,1231, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 25 ILE HN 21 THR O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 352, 298, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 25 ILE N 21 THR O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 351, 298, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 26 VAL HN 22 LYS O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 371, 320, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 26 VAL N 22 LYS O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 370, 320, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 27 GLN HN 23 GLU O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 387, 335, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 27 GLN N 23 GLU O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 386, 335, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 28 PHE HN 24 GLU O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 404, 350, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 28 PHE N 24 GLU O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 403, 350, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 29 PHE HN 25 ILE O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 424, 369, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 29 PHE N 25 ILE O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 423, 369, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 40 THR HN 54 PHE O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 585, 801, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 40 THR N 54 PHE O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 584, 801, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 53 ALA HN 13 LEU O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 773, 182, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 53 ALA N 13 LEU O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 772, 182, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 54 PHE HN 40 THR O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 783, 597, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 54 PHE N 40 THR O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 782, 597, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 55 VAL HN 11 VAL O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 803, 139, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 55 VAL N 11 VAL O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 802, 139, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 56 GLN HN 38 GLY O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 819, 564, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 56 GLN N 38 GLY O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 818, 564, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 57 PHE HN 9 GLY O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 836, 103, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 57 PHE N 9 GLY O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 835, 103, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 62 LEU HN 58 ALA O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 909, 864, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 62 LEU N 58 ALA O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 908, 864, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 63 ALA HN 59 SER O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 928, 875, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 63 ALA N 59 SER O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 927, 875, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 64 GLU HN 60 GLN O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 938, 892, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 64 GLU N 60 GLN O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 937, 892, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 65 LYS HN 61 GLU O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 953, 907, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 65 LYS N 61 GLU O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 952, 907, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 66 ALA HN 62 LEU O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 975, 926, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 66 ALA N 62 LEU O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 974, 926, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 67 LEU HN 63 ALA O 2.4
&rst
ixpk= 0, nxpk= 0, iat= 985, 936, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 67 LEU N 63 ALA O 3.4
&rst
ixpk= 0, nxpk= 0, iat= 984, 936, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 93 RADE H1' 93 RADE H8 2.50
&rst
ixpk= 0, nxpk= 0, iat=1441,1444, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 93 RADE H2' 93 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1459,1444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RADE H8 93 RADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RADE H8 93 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RADE H8 93 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1435,1436,
&end
#
# 18 PHE HD 93 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 264,
&end
#
# 18 PHE HE 93 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 258, 262,
&end
#
# 48 LYS QE 93 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 709, 710,
&end
#
# 94 RGUA Q5' 93 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1468,1469,
&end
#
# 18 PHE HZ 93 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 260,1444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 PHE HB2 93 RADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE HD 93 RADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 256, 264,
&end
#
# 18 PHE HE 93 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 258, 262,
&end
#
# 48 LYS QG 93 RADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 703, 704,
&end
#
# 93 RADE H1' 93 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1459, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 RADE H1' 93 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 RADE H1' 93 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1435,1436,
&end
#
# 94 RGUA Q5' 93 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1468,1469,
&end
#
# 93 RADE H2' 93 RADE Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1435,1436,
&end
#
# 93 RADE H4' 93 RADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1438,1457, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 RADE Q5' 93 RADE H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1435,1436,
&end
#
# 93 RADE Q5' 93 RADE H4' 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1435,1436,
&end
#
# 18 PHE HE 93 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 258, 262,
&end
#
# 18 PHE HZ 93 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 260,1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 RADE Q5' 94 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1435,1436,
&end
#
# 18 PHE HE 93 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 258, 262,
igr2=1435,1436,
&end
#
# 48 LYS QE 93 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 709, 710,
igr2=1435,1436,
&end
#
# 94 RGUA H1' 94 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1474,1477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 RGUA H2' 94 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 RGUA H3' 94 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1491,1477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 RGUA H4' 94 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 RGUA Q5' 94 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1468,1469,
&end
#
# 18 PHE HZ 94 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 260,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE HD 94 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 264,
&end
#
# 18 PHE HE 94 RGUA H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 258, 262,
&end
#
# 17 PRO HA 94 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 244,1483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 PRO HB3 94 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 242,1483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 PHE HA 94 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 250,1483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 RGUA H1' 94 RGUA H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1474,1493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 RGUA H1' 94 RGUA H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1474,1491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 RGUA H1' 94 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1474,1471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 RGUA H1' 95 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1474,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 RGUA H8 94 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1511,1474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 RGUA H4' 94 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1505,1474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 RGUA Q5' 94 RGUA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1502,1503,
&end
#
# 18 PHE HZ 94 RGUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 260,1474, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 PHE HE 94 RGUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 258, 262,
&end
#
# 94 RGUA H3' 94 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1491,1471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 RGUA H3' 94 RGUA Q5' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1468,1469,
&end
#
# 94 RGUA Q5' 94 RGUA H4' 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1468,1469,
&end
#
# 95 RGUA H1' 95 RGUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1508,1511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 RGUA H2' 95 RGUA H8 3.00
&rst
ixpk= 0, nxpk= 0, iat=1527,1511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 RGUA H4' 95 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1505,1511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 RGUA Q5' 95 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1502,1503,
&end
#
# 78 TYR HE 95 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1188,1193,
&end
#
# 95 RGUA H8 94 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1511,1493, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 RGUA H8 94 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1468,1469,
&end
#
# 95 RGUA H8 96 RGUA H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1511,1561, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLY HA3 95 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 211,1517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 ILE QG2 95 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1205,1206,1207,
&end
#
# 79 ILE QD1 95 RGUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1212,1213,1214,
&end
#
# 77 ARG HA 95 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1156,1517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ARG HG3 95 RGUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1162,1517, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ARG HG2 95 RGUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1161,1517, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ARG HB2 95 RGUA H1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ARG HB3 95 RGUA H1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1159,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 TYR HA 95 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1180,1517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HB2 95 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1182,1517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HB3 95 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HD 95 RGUA H1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1186,1195,
&end
#
# 78 TYR HE 95 RGUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1188,1193,
&end
#
# 80 GLU HG2 95 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 GLU HG3 95 RGUA H1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1226,1517, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HN 95 RGUA H1 3.00
&rst
ixpk= 0, nxpk= 0, iat=1178,1517, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 GLU HN 95 RGUA H1 5.5
&rst
ixpk= 0, nxpk= 0, iat=1218,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 RGUA H1' 95 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1508,1527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 RGUA H4' 95 RGUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1505,1508, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 RGUA Q5' 95 RGUA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1502,1503,
&end
#
# 95 RGUA H1' 97 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1508,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 TYR HE 95 RGUA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1188,1193,
&end
#
# 95 RGUA Q5' 95 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1502,1503,
&end
#
# 95 RGUA H4' 96 RGUA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1505,1542, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 RGUA H4' 96 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1505,1545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 RGUA H4' 96 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1505,1561, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 RGUA Q5' 96 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1502,1503,
&end
#
# 95 RGUA Q5' 96 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1502,1503,
&end
#
# 95 RGUA Q5' 14 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1502,1503,
igr2= 191, 192,
&end
#
# 95 RGUA Q5' 14 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1502,1503,
igr2= 194, 195,
&end
#
# 96 RGUA H1' 96 RGUA H8 2.50
&rst
ixpk= 0, nxpk= 0, iat=1542,1545, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 96 RGUA H2' 96 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 RGUA H8 96 RGUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1539, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 RGUA H8 97 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 RGUA H8 97 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1579, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 URA H1' 96 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 URA H5 96 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1614,1545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 RGUA H1 94 RGUA H1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1551,1483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 RGUA H1' 96 RGUA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1542,1561, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 RGUA H1' 96 RGUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1542,1559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 RGUA H1' 96 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1542,1539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 RGUA H1' 97 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1542,1576, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 RGUA H2' 96 RGUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1559, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 RGUA H2' 96 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 RGUA H2' 96 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1536,1537,
&end
#
# 96 RGUA H3' 96 RGUA H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1559,1539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 RGUA H3' 96 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1536,1537,
&end
#
# 96 RGUA H3' 97 RADE H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1559,1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 RGUA H3' 97 RADE Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1559, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1570,1571,
&end
#
# 97 RADE H8 96 RGUA H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1579,1539, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 RADE H1' 97 RADE H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1579, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 RADE H2' 97 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat=1594,1579, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 RADE H4' 97 RADE H8 4.00
&rst
ixpk= 0, nxpk= 0, iat=1573,1579, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 RADE Q5' 97 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1570,1571,
&end
#
# 97 RADE H8 97 RADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1579,1592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 RADE H8 98 URA H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=1579,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 URA H6 97 RADE H8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1579, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 RADE H1' 97 RADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1576,1588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 RADE H2 98 URA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1588,1609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 RADE H2 98 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1588,1612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HD 97 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1186,1195,
&end
#
# 78 TYR HE 97 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1188,1193,
&end
#
# 82 PHE HD 97 RADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1257,1265,
&end
#
# 82 PHE HE 97 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1259,1263,
&end
#
# 71 LYS QE 97 RADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1063,1064,
&end
#
# 71 LYS QD 97 RADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1060,1061,
&end
#
# 71 LYS QG 97 RADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1057,1058,
&end
#
# 71 LYS QB 97 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1054,1055,
&end
#
# 97 RADE H1' 97 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1594, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 RADE H1' 97 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1573, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 RADE Q5' 97 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1570,1571,
&end
#
# 98 URA H5 97 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1576, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 URA H6 97 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1612,1576, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 LYS QE 97 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1063,1064,
&end
#
# 97 RADE Q5' 97 RADE H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1570,1571,
&end
#
# 97 RADE Q5' 97 RADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1592, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1570,1571,
&end
#
# 97 RADE Q5' 97 RADE H4' 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1570,1571,
&end
#
# 97 RADE H4' 98 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1573,1612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 URA H5 97 RADE H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1573, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 RADE Q5' 98 URA H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1570,1571,
&end
#
# 98 URA H6 98 URA H5 2.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1614, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 98 URA H1' 98 URA H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 URA H6 98 URA H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1612,1624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 URA H3' 98 URA H6 3.50
&rst
ixpk= 0, nxpk= 0, iat=1622,1612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 URA H6 98 URA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1603,1604,
&end
#
# 98 URA H4' 98 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1606,1612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 URA H5 98 URA H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 URA H5 98 URA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1622, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 URA Q5' 98 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1603,1604,
&end
#
# 98 URA H5 82 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1259,1263,
&end
#
# 98 URA H5 82 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1614,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 URA H1' 98 URA H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1609,1624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 URA H1' 98 URA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1622, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 URA H4' 98 URA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1606,1609, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 URA H1' 82 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1257,1265,
&end
#
# 98 URA H1' 82 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1259,1263,
&end
#
# 98 URA H1' 82 PHE QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1253,1254,
&end
#
# 98 URA H2' 82 PHE HD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1257,1265,
&end
#
# 98 URA H2' 82 PHE HE 4.00
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1259,1263,
&end
#
# 98 URA H2' 82 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 URA H3' 98 URA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1603,1604,
&end
#
# 98 URA H3' 82 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1259,1263,
&end
#
# 94 RGUA H1 16 LEU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1483, 232, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 94 RGUA N1 16 LEU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1482, 232, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 95 RGUA H1 78 TYR O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1517,1197, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 95 RGUA N1 78 TYR O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1516,1197, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
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