NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
5835 |
1i17   |
4938 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# 52 VAL HN 52 VAL HB 2.70
&rst
ixpk= 0, nxpk= 0, iat= 28, 32, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 52 VAL QQG 55 ASN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 34, 35, 36, 38, 39, 40,
&end
#
# 53 ALA QB 55 ASN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 48, 49, 50,
&end
#
# 53 ALA QB 56 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 48, 49, 50,
&end
#
# 54 GLU HN 54 GLU QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 61, 62,
&end
#
# 54 GLU HN 56 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 54, 83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 GLU HA 55 ASN HN 3.30 (#9-26. changed from 2.7 )
&rst
ixpk= 0, nxpk= 0, iat= 56, 69, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 54 GLU HA 56 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 56, 83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 GLU QG 55 ASN HN 5.00 (#8-14 changed from 3.3 )
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 61, 62,
&end
#
# 55 ASN HN 59 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 132, 133, 134,
&end
#
# 55 ASN HA 56 ARG HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 71, 83, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 55 ASN HA 56 ARG QG 5.00 (#10-24 )
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 90, 91,
&end
#
# 55 ASN HB2 59 ALA QB 5.00 (#8-11)
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 132, 133, 134,
&end
#
# 55 ASN HB3 59 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 132, 133, 134,
&end
#
# 55 ASN QD2 61 ILE QD1 5.00 (#8-11)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 78, 79,
igr2= 171, 172, 173,
&end
#
# 56 ARG HN 56 ARG HE 5.00 (#10-24 )
&rst
ixpk= 0, nxpk= 0, iat= 83, 96, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ARG HA 56 ARG QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 90, 91,
&end
#
# 56 ARG HA 57 PRO QD 2.70 (#9-14)
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 108, 109,
&end
#
# 56 ARG QB 57 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 87, 88,
&end
#
# 56 ARG QB 57 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 87, 88,
&end
#
# 56 ARG QG 57 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 90, 91,
&end
#
# 56 ARG QG 57 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 90, 91,
&end
#
# 56 ARG QD 116 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 93, 94,
&end
#
# 56 ARG QD 116 ALA QB 3.30 (#10-24 changed from 5.0)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 93, 94,
igr2=1001,1002,1003,
&end
#
# 56 ARG HE 116 ALA QB 5.00 (#10-24)
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
&end
#
# 57 PRO HA 58 GLY HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 57 PRO HA 59 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 PRO HA 91 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 646, 655,
&end
#
# 57 PRO HA 91 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 648, 653,
&end
#
# 57 PRO HA 92 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 PRO HB2 112 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 950, 951, 952,
&end
#
# 57 PRO HB3 112 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 950, 951, 952,
&end
#
# 58 GLY HN 59 ALA HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 121, 128, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 58 GLY HN 59 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 132, 133, 134,
&end
#
# 58 GLY HN 90 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 625, 626, 627,
&end
#
# 58 GLY HN 91 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 646, 655,
&end
#
# 58 GLY HN 91 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 648, 653,
&end
#
# 58 GLY HN 92 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLY HN 92 TYR HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLY HN 92 TYR HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 664, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLY HN 92 TYR QD 5.00 (#9-6 changed from 3.3)
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 667, 676,
&end
#
# 58 GLY HN 93 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLY HN 112 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 950, 951, 952,
&end
#
# 58 GLY HN 113 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 GLY HA2 90 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 625, 626, 627,
&end
#
# 58 GLY HA2 113 THR HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 123, 958, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 58 GLY HA2 116 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
&end
#
# 58 GLY HA3 90 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 625, 626, 627,
&end
#
# 58 GLY HA3 113 THR HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 124, 958, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 58 GLY HA3 116 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
&end
#
# 59 ALA HN 90 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 625, 626, 627,
&end
#
# 59 ALA HN 91 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ALA HN 91 TYR HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ALA HN 91 TYR HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ALA HN 91 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 646, 655,
&end
#
# 59 ALA HN 91 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 648, 653,
&end
#
# 59 ALA HN 116 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
&end
#
# 59 ALA HA 60 PHE HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 130, 138, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 59 ALA HA 116 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
&end
#
# 59 ALA HA 117 ASN QD2 3.30 (#8-8 )
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1016,1017,
&end
#
# 59 ALA QB 91 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 132, 133, 134,
&end
#
# 59 ALA QB 91 TYR HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 132, 133, 134,
&end
#
# 59 ALA QB 91 TYR HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 132, 133, 134,
&end
#
# 59 ALA QB 91 TYR QD 5.00 (#9-6 changed from 3.3 )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 132, 133, 134,
igr2= 646, 655,
&end
#
# 59 ALA QB 91 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 132, 133, 134,
igr2= 648, 653,
&end
#
# 60 PHE HN 116 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
&end
#
# 60 PHE HN 117 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 138,1016, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HN 117 ASN HD22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 138,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HA 60 PHE QD 2.70
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 146, 154,
&end
#
# 60 PHE HA 61 ILE HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 140, 158, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 60 PHE HA 87 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 140, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HA 87 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 140, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HA 90 ILE HA 3.30 (#9-13changed from 2.7 )
&rst
ixpk= 0, nxpk= 0, iat= 140, 621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 60 PHE HA 90 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 625, 626, 627,
&end
#
# 60 PHE HA 90 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 632, 633, 634,
&end
#
# 60 PHE HA 91 TYR HN 5.00 (#8-16. changed from 3.3)
&rst
ixpk= 0, nxpk= 0, iat= 140, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HB2 87 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 142, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HB2 87 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 142, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HB3 87 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HB3 87 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 143, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE QD 62 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 146, 154,
igr2= 190, 191,
&end
#
# 60 PHE QD 87 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 146, 154,
&end
#
# 60 PHE QD 87 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 146, 154,
&end
#
# 60 PHE QD 87 PRO HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 146, 154,
&end
#
# 60 PHE QD 87 PRO HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 146, 154,
&end
#
# 60 PHE QD 113 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 146, 154,
igr2= 962, 963, 964,
&end
#
# 60 PHE HZ 135 LEU QD1 5.00 (#9-13)
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1320,1321,1322,
&end
#
# 60 PHE HZ 135 LEU QD2 5.00 (#9-13)
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1324,1325,1326,
&end
#
# 61 ILE HN 61 ILE HB 2.70
&rst
ixpk= 0, nxpk= 0, iat= 158, 162, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 61 ILE HN 61 ILE HG12 5.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HN 61 ILE HG13 5.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HN 87 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HN 87 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HN 89 GLY HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 158, 612, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 61 ILE HN 90 ILE HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 158, 621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 61 ILE HN 91 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HA 62 LYS HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 61 ILE HB 89 GLY HN 5.00 (#9-14 changed from 3.3 )
&rst
ixpk= 0, nxpk= 0, iat= 162, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HB 89 GLY QA 3.30 (#9-14)
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 614, 615,
&end
#
# 61 ILE QG2 62 LYS HN 3.30 (#7-28. from 2.7 )
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 164, 165, 166,
&end
#
# 61 ILE QG2 62 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 164, 165, 166,
&end
#
# 61 ILE QG2 63 GLN HN 5.00 (#10-24)
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 164, 165, 166,
&end
#
# 61 ILE QG2 63 GLN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 164, 165, 166,
&end
#
# 61 ILE QG2 63 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 164, 165, 166,
&end
#
# 61 ILE QG2 63 GLN QG 2.70 (#10-24 changed from 3.3)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 164, 165, 166,
igr2= 206, 207,
&end
#
# 61 ILE QG2 63 GLN HE21 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 164, 165, 166,
&end
#
# 61 ILE QG2 63 GLN HE22 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 164, 165, 166,
&end
#
# 61 ILE QG2 89 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 164, 165, 166,
&end
#
# 61 ILE HG12 62 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 168, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HG12 91 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 168, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HG13 62 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 169, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE HG13 91 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 169, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ILE QD1 89 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 61 ILE QD1 89 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 61 ILE QD1 89 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 61 ILE QD1 91 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 61 ILE QD1 91 TYR HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 61 ILE QD1 91 TYR HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 61 ILE QD1 91 TYR QD 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 171, 172, 173,
igr2= 646, 655,
&end
#
# 61 ILE QD1 92 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
&end
#
# 62 LYS HN 62 LYS QB 3.30 (#8-16)
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 181, 182,
&end
#
# 62 LYS HN 88 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 177, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS HA 63 GLN HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 179, 199, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 62 LYS HA 64 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 179, 216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS HA 87 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 179, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS HA 88 ASP HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 179, 600, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 LYS HA 89 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 179, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS HG2 87 PRO HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 184, 596, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 LYS HG2 88 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 184, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS HG3 87 PRO HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 185, 596, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 LYS HG3 88 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 185, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 GLN HN 63 GLN QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 206, 207,
&end
#
# 63 GLN HN 64 GLY HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 199, 216, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 63 GLN HN 64 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 GLN HN 64 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 GLN HN 65 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 223, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 GLN HN 88 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 GLN HN 89 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 GLN HA 63 GLN QG 2.70
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 206, 207,
&end
#
# 63 GLN QB 65 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 203, 204,
&end
#
# 63 GLN QB 65 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 203, 204,
igr2= 230, 231,
&end
#
# 63 GLN QB 89 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 203, 204,
&end
#
# 63 GLN HB2 65 ARG HE 5.00 (#10-24 )
&rst
ixpk= 0, nxpk= 0, iat= 203, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 GLN HB3 65 ARG HE 5.00 (#10-24 )
&rst
ixpk= 0, nxpk= 0, iat= 204, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 GLY HN 65 ARG HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 216, 223, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 64 GLY HN 88 ASP QB 5.0 (#8-7 )
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 604, 605,
&end
#
# 64 GLY HA2 65 ARG HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 218, 223, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 64 GLY HA2 84 TRP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 GLY HA3 84 TRP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 GLY QA 84 TRP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 218, 219,
&end
#
# 64 GLY QA 84 TRP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 218, 219,
&end
#
# 65 ARG HN 65 ARG QD 5.00 (#10-24)
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 233, 234,
&end
#
# 65 ARG HN 65 ARG HE 5.00 (#10-24)
&rst
ixpk= 0, nxpk= 0, iat= 223, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ARG HN 88 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ARG HN 88 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ARG HA 66 LYS HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 225, 247, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 65 ARG HA 83 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 512, 521,
&end
#
# 65 ARG HA 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 519,
&end
#
# 65 ARG HB2 88 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 227, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ARG HB2 88 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 227, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ARG HB3 88 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 228, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ARG HB3 88 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 228, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ARG QG 66 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 230, 231,
&end
#
# 65 ARG HD2 67 LEU QQD 5.00 (#10-24)
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 65 ARG HD3 67 LEU QQD 5.00 (#10-24)
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 65 ARG HE 67 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 65 ARG HE 88 ASP HB2 5.00 (#10-24)
&rst
ixpk= 0, nxpk= 0, iat= 236, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 ARG HE 88 ASP HB2 5.00 (#10-24 )
&rst
ixpk= 0, nxpk= 0, iat= 236, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 LYS HN 66 LYS HB2 2.70 (#10-24 )
&rst
ixpk= 0, nxpk= 0, iat= 247, 251, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 66 LYS HN 66 LYS HB3 2.70 (#10-24 )
&rst
ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 66 LYS HN 66 LYS QD 5.00 (#10-24 )
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 257, 258,
&end
#
# 66 LYS HN 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 519,
&end
#
# 66 LYS HA 67 LEU HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 249, 269, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 66 LYS HA 79 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 459, 464,
&end
#
# 66 LYS HA 79 TYR HH 5.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 LYS HB2 83 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 512, 521,
&end
#
# 66 LYS HB2 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 519,
&end
#
# 66 LYS HB3 83 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 512, 521,
&end
#
# 66 LYS HB3 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 519,
&end
#
# 66 LYS HG2 79 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 459, 464,
&end
#
# 66 LYS HG2 83 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 512, 521,
&end
#
# 66 LYS HG2 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 519,
&end
#
# 66 LYS HG3 79 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 459, 464,
&end
#
# 66 LYS HG3 83 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 512, 521,
&end
#
# 66 LYS HG3 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 519,
&end
#
# 66 LYS QD 80 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 257, 258,
&end
#
# 66 LYS QD 83 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 257, 258,
igr2= 512, 521,
&end
#
# 66 LYS QD 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 257, 258,
igr2= 514, 519,
&end
#
# 66 LYS HE2 80 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 474, 475, 476,
&end
#
# 66 LYS HE2 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 519,
&end
#
# 66 LYS HE3 80 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 474, 475, 476,
&end
#
# 66 LYS HE3 83 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 519,
&end
#
# 66 LYS QE 80 ALA HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 260, 261,
&end
#
# 67 LEU HN 67 LEU HG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 67 LEU HN 67 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 278, 279, 280,
&end
#
# 67 LEU HN 67 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 282, 283, 284,
&end
#
# 67 LEU HN 79 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 457, 466,
&end
#
# 67 LEU HN 79 TYR QE 3.30
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 459, 464,
&end
#
# 67 LEU HN 79 TYR HH 3.30
&rst
ixpk= 0, nxpk= 0, iat= 269, 462, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 67 LEU HA 68 ASP HN 2.70
&rst
ixpk= 0, nxpk= 0, iat= 271, 288, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 67 LEU HA 68 ASP HB2 6.00 (#9-6)
&rst
ixpk= 0, nxpk= 0, iat= 271, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 LEU HA 68 ASP HB3 6.00 (#9-6)
&rst
ixpk= 0, nxpk= 0, iat= 271, 293, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 LEU QB 68 ASP HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 273, 274,
&end
#
# 67 LEU QB 69 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 273, 274,
igr2= 313, 314, 315,
&end
#
# 67 LEU QB 79 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 273, 274,
igr2= 459, 464,
&end
#
# 67 LEU HG 69 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 313, 314, 315,
&end
#
# 67 LEU HG 79 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 459, 464,
&end
#
# 67 LEU HG 79 TYR HH 3.30
&rst
ixpk= 0, nxpk= 0, iat= 276, 462, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 67 LEU QD1 68 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 278, 279, 280,
&end
#
# 67 LEU QD1 88 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 278, 279, 280,
&end
#
# 67 LEU QD1 88 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 278, 279, 280,
&end
#
# 67 LEU QD2 68 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 282, 283, 284,
&end
#
# 67 LEU QD2 88 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 282, 283, 284,
&end
#
# 67 LEU QD2 88 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 282, 283, 284,
&end
#
# 67 LEU QD1 69 ILE QG2 5.0 (#7-28. 3.3. #8-2 5.0)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 278, 279, 280,
igr2= 306, 307, 308,
&end
#
# 67 LEU QQD 79 TYR QD 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 457, 466,
&end
#
# 67 LEU QQD 79 TYR QE 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 459, 464,
&end
#
# 68 ASP HN 68 ASP HB2 3.30
&rst
ixpk= 3, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 68 ASP HN 68 ASP HB3 3.30
&rst
ixpk= 3, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 68 ASP HA 69 ILE HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= 290, 300, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 68 ASP HA 69 ILE HB 6.00 (#9-6)
&rst
ixpk= 3, nxpk= 0, iat= 290, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 ASP HA 69 ILE QG1 5.00 (#8-17)
&rst
ixpk= 3, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 310, 311,
&end
#
# 69 ILE HN 69 ILE HB 3.30
&rst
ixpk= 3, nxpk= 0, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 69 ILE HN 69 ILE QG2 5.0 (#7-28. from 3.3)
&rst
ixpk= 3, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 306, 307, 308,
&end
#
# 69 ILE HN 69 ILE QG1 3.30
&rst
ixpk= 3, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 310, 311,
&end
#
# 69 ILE HA 69 ILE QG2 2.70
&rst
ixpk= 3, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 306, 307, 308,
&end
#
# 69 ILE HA 70 ASP HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= 302, 319, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 69 ILE HA 70 ASP HB2 6.00 (#9-6)
&rst
ixpk= 3, nxpk= 0, iat= 302, 323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ILE HA 70 ASP HB3 6.00 (#9-6)
&rst
ixpk= 3, nxpk= 0, iat= 302, 324, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 ILE HB 71 PHE QE 5.00
&rst
ixpk= 3, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 341, 345,
&end
#
# 69 ILE HB 71 PHE HZ 5.00
&rst
ixpk= 3, nxpk= 0, iat= 304, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 ILE QG2 70 ASP HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 71 PHE HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 71 PHE HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 71 PHE QD 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 306, 307, 308,
igr2= 339, 347,
&end
#
# 69 ILE QG2 71 PHE QE 3.30 (#8-21 changed from 5.0 )
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 306, 307, 308,
igr2= 341, 345,
&end
#
# 69 ILE QG2 71 PHE HZ 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 72 GLY HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 137 ARG HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 137 ARG HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 137 ARG HE 3.30 (#10-24. changed from 5.0)
&rst
ixpk= 3, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 138 LEU QD2 5.00 (#8-3)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 306, 307, 308,
igr2=1391,1392,1393,
&end
#
# 69 ILE QG2 141 GLU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 141 GLU HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QG2 141 GLU HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 306, 307, 308,
&end
#
# 69 ILE QD1 71 PHE QD 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 313, 314, 315,
igr2= 339, 347,
&end
#
# 69 ILE QD1 71 PHE QE 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 313, 314, 315,
igr2= 341, 345,
&end
#
# 69 ILE QD1 71 PHE HZ 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 69 ILE QD1 137 ARG HE 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 69 ILE QD1 138 LEU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 69 ILE QD1 138 LEU HA 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 313, 314, 315,
&end
#
# 69 ILE QD1 141 GLU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 69 ILE QD1 141 GLU HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 69 ILE QD1 141 GLU HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 69 ILE QD1 141 GLU HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 69 ILE QD1 141 GLU HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 70 ASP HN 70 ASP HB2 3.30
&rst
ixpk= 3, nxpk= 0, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 70 ASP HN 70 ASP HB3 3.30
&rst
ixpk= 3, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 70 ASP HA 71 PHE HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 70 ASP HA 72 GLY HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= 321, 351, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 71 PHE HN 71 PHE QD 3.30
&rst
ixpk= 3, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 339, 347,
&end
#
# 71 PHE HN 72 GLY HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= 331, 351, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 71 PHE HN 76 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 331, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HN 76 ASN QB 5.00 (#8-7)
&rst
ixpk= 3, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 394, 395,
&end
#
# 71 PHE HN 76 ASN QD2 5.00 (#8-7)
&rst
ixpk= 3, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 399, 400,
&end
#
# 71 PHE HB2 75 GLY HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 335, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB2 75 GLY HA2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB2 75 GLY HA3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 335, 386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB2 76 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 335, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB2 76 ASN HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= 335, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB3 75 GLY HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 336, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB3 75 GLY HA2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 336, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB3 75 GLY HA3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 336, 386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB3 76 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 336, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HB3 76 ASN HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= 336, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE QD 76 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 347,
&end
#
# 71 PHE QD 76 ASN HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 347,
&end
#
# 71 PHE QD 134 VAL HA 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 339, 347,
&end
#
# 71 PHE QD 134 VAL HB 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 347,
&end
#
# 71 PHE QD 134 VAL QG1 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 339, 347,
igr2=1301,1302,1303,
&end
#
# 71 PHE QD 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 339, 347,
igr2=1305,1306,1307,
&end
#
# 71 PHE QD 137 ARG HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 347,
&end
#
# 71 PHE QD 137 ARG HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 347,
&end
#
# 71 PHE QD 137 ARG HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 347,
&end
#
# 71 PHE QD 137 ARG HG2 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 339, 347,
&end
#
# 71 PHE QD 137 ARG HG3 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 339, 347,
&end
#
# 71 PHE QD 138 LEU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 339, 347,
&end
#
# 71 PHE QE 134 VAL HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 345,
&end
#
# 71 PHE QE 134 VAL QG1 3.30 (#8-21. changed from 5.0)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 341, 345,
igr2=1301,1302,1303,
&end
#
# 71 PHE QE 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 341, 345,
igr2=1305,1306,1307,
&end
#
# 71 PHE QE 137 ARG HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 345,
&end
#
# 71 PHE QE 137 ARG HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 345,
&end
#
# 71 PHE QE 137 ARG HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 345,
&end
#
# 71 PHE QE 137 ARG HG2 5.00 (#9-14 changed from 3.3)
&rst
ixpk= 3, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 345,
&end
#
# 71 PHE QE 137 ARG HG3 5.00 (#9-14 changed from 3.3)
&rst
ixpk= 3, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 345,
&end
#
# 71 PHE QE 138 LEU HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 341, 345,
&end
#
# 71 PHE QE 138 LEU HG 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 341, 345,
&end
#
# 71 PHE QE 138 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 341, 345,
igr2=1387,1388,1389,1391,1392,1393,
&end
#
# 71 PHE HZ 134 VAL QG1 3.30 (#7-26 )
&rst
ixpk= 3, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1301,1302,1303,
&end
#
# 71 PHE HZ 138 LEU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 343,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 PHE HZ 138 LEU QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1382,1383,
&end
#
# 71 PHE HZ 138 LEU QD1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1387,1388,1389,
&end
#
# 71 PHE HZ 138 LEU QD2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1391,1392,1393,
&end
#
# 72 GLY HN 72 GLY HA2 3.0 (#8-10)
&rst
ixpk= 3, nxpk= 0, iat= 351, 353, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 GLY HN 72 GLY HA3 3.0 (#8-10)
&rst
ixpk= 3, nxpk= 0, iat= 351, 354, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 GLY HN 76 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 351, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 GLY HN 76 ASN QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 394, 395,
&end
#
# 72 GLY HN 76 ASN HD21 5.00
&rst
ixpk= 3, nxpk= 0, iat= 351, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 GLY HN 76 ASN HD22 5.00
&rst
ixpk= 3, nxpk= 0, iat= 351, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 GLY HA2 73 ALA HN 3.0 (#8-10)
&rst
ixpk= 3, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 GLY HA2 73 ALA QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 362, 363, 364,
&end
#
# 72 GLY HA2 74 GLU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 GLY HA3 73 ALA HN 3.0 (#8-10)
&rst
ixpk= 3, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 GLY HA3 73 ALA QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 362, 363, 364,
&end
#
# 72 GLY HA3 74 GLU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 354, 368, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ALA HN 73 ALA HN 2.70
#This appears to be self-referential: ignoring
#
# 73 ALA HN 74 GLU HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= 358, 368, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 73 ALA HN 75 GLY HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 358, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ALA HA 76 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 360, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ALA HA 76 ASN QB 3.30 (#8-8)
&rst
ixpk= 3, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 394, 395,
&end
#
# 73 ALA HA 76 ASN HD21 5.00
&rst
ixpk= 3, nxpk= 0, iat= 360, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ALA HA 76 ASN HD22 5.00
&rst
ixpk= 3, nxpk= 0, iat= 360, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ALA HA 77 ARG HN 5.00 (#8-21)
&rst
ixpk= 3, nxpk= 0, iat= 360, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ALA QB 74 GLU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 362, 363, 364,
&end
#
# 73 ALA QB 74 GLU QB 5.00 (#10-24 )
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 362, 363, 364,
igr2= 372, 373,
&end
#
# 73 ALA QB 75 GLY HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 362, 363, 364,
&end
#
# 73 ALA QB 76 ASN QB 5.00 (#8-21)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 362, 363, 364,
igr2= 394, 395,
&end
#
# 73 ALA QB 76 ASN QD2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 362, 363, 364,
igr2= 399, 400,
&end
#
# 73 ALA QB 77 ARG HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 362, 363, 364,
&end
#
# 74 GLU HN 74 GLU HN 2.70
#This appears to be self-referential: ignoring
#
# 74 GLU HN 74 GLU QB 2.70
&rst
ixpk= 3, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 372, 373,
&end
#
# 74 GLU HN 74 GLU HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 368, 375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HN 74 GLU HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 368, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HN 75 GLY HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 74 GLU HN 75 GLY QA 5.00
&rst
ixpk= 3, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 385, 386,
&end
#
# 74 GLU HN 76 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 368, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HN 77 ARG HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 368, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HN 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 74 GLU HA 76 ASN HN 5.00 (#10-24)
&rst
ixpk= 3, nxpk= 0, iat= 370, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HA 77 ARG HN 5.00 (#9-14 changed from 3.3 )
&rst
ixpk= 3, nxpk= 0, iat= 370, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HA 77 ARG QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 408, 409,
&end
#
# 74 GLU HA 77 ARG QD 5.00 (#10-24)
&rst
ixpk= 3, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 414, 415,
&end
#
# 74 GLU HA 78 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 370, 428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HA 130 LEU QQD 5.00 (#10-24)
&rst
ixpk= 3, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 74 GLU QB 75 GLY HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 372, 373,
&end
#
# 74 GLU QB 76 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 372, 373,
&end
#
# 74 GLU QB 130 LEU QD1 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 372, 373,
igr2=1226,1227,1228,
&end
#
# 74 GLU QB 130 LEU QD2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 372, 373,
igr2=1230,1231,1232,
&end
#
# 74 GLU HG2 75 GLY HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 375, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HG2 130 LEU QD1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1226,1227,1228,
&end
#
# 74 GLU HG2 130 LEU QD2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1230,1231,1232,
&end
#
# 74 GLU HG3 75 GLY HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 376, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 GLU HG3 130 LEU QD1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1226,1227,1228,
&end
#
# 74 GLU HG3 130 LEU QD2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1230,1231,1232,
&end
#
# 75 GLY HN 76 ASN HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 75 GLY HN 77 ARG HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 383, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 GLY HN 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 75 GLY HN 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 75 GLY HA2 78 TYR HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 385, 432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 GLY HA2 78 TYR HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 385, 433, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 GLY HA2 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 75 GLY HA2 134 VAL QQG 5.00
&rst
ixpk= 3, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 75 GLY HA3 78 TYR HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 386, 432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 GLY HA3 78 TYR HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 386, 433, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 GLY HA3 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 75 GLY HA3 134 VAL QQG 5.00
&rst
ixpk= 3, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 75 GLY QA 78 TYR HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 385, 386,
&end
#
# 76 ASN HN 76 ASN HA 3.30
&rst
ixpk= 3, nxpk= 0, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 76 ASN HN 76 ASN HD21 5.00
&rst
ixpk= 3, nxpk= 0, iat= 390, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ASN HN 76 ASN HD22 5.00
&rst
ixpk= 3, nxpk= 0, iat= 390, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ASN HN 77 ARG HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= 390, 404, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 76 ASN HN 77 ARG QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 408, 409,
&end
#
# 76 ASN HN 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 76 ASN HN 134 VAL QG1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1301,1302,1303,
&end
#
# 76 ASN HN 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 76 ASN HA 78 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 392, 428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ASN HA 79 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 392, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ASN HA 79 TYR HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 392, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ASN HA 79 TYR HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 392, 454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ASN HA 80 ALA HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 392, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 ASN QB 77 ARG HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 394, 395,
&end
#
# 77 ARG HN 77 ARG QB 2.70
&rst
ixpk= 3, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 408, 409,
&end
#
# 77 ARG HN 77 ARG QG 3.30
&rst
ixpk= 3, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 411, 412,
&end
#
# 77 ARG HN 77 ARG HD2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 404, 414, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ARG HN 77 ARG HD3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 404, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ARG HN 78 TYR HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= 404, 428, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 77 ARG HN 79 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 404, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ARG HN 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 77 ARG HA 79 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 406, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ARG HA 80 ALA HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 406, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ARG HA 80 ALA QB 3.30
&rst
ixpk= 3, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 474, 475, 476,
&end
#
# 77 ARG QB 79 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 408, 409,
&end
#
# 78 TYR HN 78 TYR HB2 2.70
&rst
ixpk= 3, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 78 TYR HN 78 TYR HB3 2.70
&rst
ixpk= 3, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 78 TYR HN 79 TYR HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= 428, 449, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 78 TYR HN 79 TYR QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 453, 454,
&end
#
# 78 TYR HN 80 ALA HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 428, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HN 81 ALA QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 484, 485, 486,
&end
#
# 78 TYR HN 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 78 TYR HN 134 VAL QG1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1301,1302,1303,
&end
#
# 78 TYR HN 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 78 TYR HA 81 ALA HN 5.0 (#9-13 changed from 3.30 )
&rst
ixpk= 3, nxpk= 0, iat= 430, 480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HA 81 ALA QB 3.30
&rst
ixpk= 3, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 484, 485, 486,
&end
#
# 78 TYR HA 82 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 430, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HA 82 ASN HD21 5.00
&rst
ixpk= 3, nxpk= 0, iat= 430, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HA 82 ASN HD22 5.00
&rst
ixpk= 3, nxpk= 0, iat= 430, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HB2 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 78 TYR HB3 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 78 TYR QD 79 TYR HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 436, 445,
&end
#
# 78 TYR QD 79 TYR HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 436, 445,
&end
#
# 78 TYR QD 130 LEU HG 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 436, 445,
&end
#
# 78 TYR QD 130 LEU QD1 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 436, 445,
igr2=1226,1227,1228,
&end
#
# 78 TYR QD 130 LEU QD2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 436, 445,
igr2=1230,1231,1232,
&end
#
# 78 TYR QD 131 HIP HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 436, 445,
&end
#
# 78 TYR QD 134 VAL HB 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 436, 445,
&end
#
# 78 TYR QD 134 VAL QG1 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 436, 445,
igr2=1301,1302,1303,
&end
#
# 78 TYR QD 134 VAL QG2 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 436, 445,
igr2=1305,1306,1307,
&end
#
# 78 TYR QE 82 ASN HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 438, 443,
&end
#
# 78 TYR QE 82 ASN HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 438, 443,
&end
#
# 78 TYR QE 130 LEU HG 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 438, 443,
&end
#
# 78 TYR QE 130 LEU QQD 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 438, 443,
igr2=1226,1227,1228,1230,1231,1232,
&end
#
# 78 TYR QE 131 HIP HA 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 438, 443,
&end
#
# 78 TYR QE 131 HIP HE1 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 438, 443,
&end
#
# 78 TYR QE 134 VAL HB 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 438, 443,
&end
#
# 78 TYR QE 134 VAL QG1 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 438, 443,
igr2=1301,1302,1303,
&end
#
# 78 TYR QE 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 438, 443,
igr2=1305,1306,1307,
&end
#
# 78 TYR QE 135 LEU HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 438, 443,
&end
#
# 78 TYR HH 82 ASN HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 441, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HH 82 ASN HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 441, 495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 TYR HH 131 HIP HA 3.30
&rst
ixpk= 3, nxpk= 0, iat= 441,1238, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 78 TYR HH 131 HIP HE1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 441,1246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 TYR HN 79 TYR HB2 2.70
&rst
ixpk= 3, nxpk= 0, iat= 449, 453, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 79 TYR HN 79 TYR HB3 2.70
&rst
ixpk= 3, nxpk= 0, iat= 449, 454, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 79 TYR HN 80 ALA HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= 449, 470, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 79 TYR HN 80 ALA QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 474, 475, 476,
&end
#
# 79 TYR HN 81 ALA HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 449, 480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 TYR HN 134 VAL QG1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1301,1302,1303,
&end
#
# 79 TYR HN 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 79 TYR HA 79 TYR QD 3.30
&rst
ixpk= 3, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 457, 466,
&end
#
# 79 TYR HA 81 ALA HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 451, 480, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 TYR HA 82 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 451, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 TYR HA 82 ASN QB 5.00 (#9-14)
&rst
ixpk= 3, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 494, 495,
&end
#
# 79 TYR HA 83 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 451, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 TYR HA 134 VAL QQG 5.00
&rst
ixpk= 3, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 79 TYR HB2 134 VAL QG1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1301,1302,1303,
&end
#
# 79 TYR HB2 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 79 TYR HB3 134 VAL QG1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1301,1302,1303,
&end
#
# 79 TYR HB3 134 VAL QG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 79 TYR QD 80 ALA HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 457, 466,
&end
#
# 79 TYR QD 83 TYR HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 457, 466,
&end
#
# 79 TYR QD 134 VAL QQG 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 457, 466,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 79 TYR QE 83 TYR HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 459, 464,
&end
#
# 79 TYR QE 83 TYR HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 459, 464,
&end
#
# 79 TYR QE 83 TYR HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 459, 464,
&end
#
# 79 TYR QE 83 TYR HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 459, 464,
&end
#
# 79 TYR QE 86 PHE QB 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 459, 464,
igr2= 570, 571,
&end
#
# 79 TYR QE 134 VAL QQG 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 459, 464,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 79 TYR QE 138 LEU QD1 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 459, 464,
igr2=1387,1388,1389,
&end
#
# 79 TYR QE 138 LEU QD2 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 459, 464,
igr2=1391,1392,1393,
&end
#
# 79 TYR HH 83 TYR HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= 462, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 TYR HH 86 PHE QD 5.00
&rst
ixpk= 3, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 574, 582,
&end
#
# 80 ALA HN 81 ALA HN 3.30 (#9-15 changed from 2.7 )
&rst
ixpk= 3, nxpk= 0, iat= 470, 480, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 80 ALA HN 81 ALA QB 5.00
&rst
ixpk= 3, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 484, 485, 486,
&end
#
# 80 ALA HN 82 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 470, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ALA HN 134 VAL QQG 5.00
&rst
ixpk= 3, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 80 ALA HA 82 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 472, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ALA HA 83 TYR QD 3.30
&rst
ixpk= 3, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 512, 521,
&end
#
# 80 ALA QB 82 ASN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 474, 475, 476,
&end
#
# 80 ALA QB 83 TYR QD 5.00
(#80 ALA QB 83 TYR HN 5.00 #9-13)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 474, 475, 476,
igr2= 512, 521,
&end
#
# 81 ALA HN 82 ASN HN 2.70
&rst
ixpk= 3, nxpk= 0, iat= 480, 490, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 81 ALA HN 82 ASN HD22 5.00
&rst
ixpk= 3, nxpk= 0, iat= 480, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ALA HN 83 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 480, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ALA HA 83 TYR HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 482, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 ALA QB 82 ASN HD21 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 484, 485, 486,
&end
#
# 81 ALA QB 82 ASN HD22 3.30
&rst
ixpk= 3, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 484, 485, 486,
&end
#
# 82 ASN HN 82 ASN HD21 5.00
&rst
ixpk= 3, nxpk= 0, iat= 490, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HN 82 ASN HD21 5.00
&rst
ixpk= 3, nxpk= 0, iat= 490, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HN 83 TYR HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= 490, 504, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 82 ASN HN 83 TYR HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= 490, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HA 84 TRP HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 492, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HA 84 TRP HD1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 492, 533, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HA 84 TRP HE1 3.30
&rst
ixpk= 3, nxpk= 0, iat= 492, 535, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 82 ASN HA 85 GLN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 492, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HA 85 GLN QG 5.00
&rst
ixpk= 3, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 556, 557,
&end
#
# 82 ASN HA 85 GLN QE2 5.00 (#8-2)
&rst
ixpk= 3, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 562,
&end
#
# 82 ASN HB2 84 TRP HE1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 494, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HB2 85 GLN QE2 5.00 (#8-2)
&rst
ixpk= 3, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 562,
&end
#
# 82 ASN HB2 86 PHE QE 5.00
&rst
ixpk= 3, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 576, 580,
&end
#
# 82 ASN HB3 84 TRP HE1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 495, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HB3 85 GLN HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 495, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HB3 85 GLN HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 495, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 ASN HB3 85 GLN QE2 5.00 (#8-2)
&rst
ixpk= 3, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 562,
&end
#
# 82 ASN HB3 86 PHE QE 5.00
&rst
ixpk= 3, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 576, 580,
&end
#
# 82 ASN QB 84 TRP HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 494, 495,
&end
#
# 82 ASN QB 85 GLN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 494, 495,
&end
#
# 83 TYR HN 83 TYR HA 2.70
&rst
ixpk= 3, nxpk= 0, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 83 TYR HN 83 TYR QD 3.30
&rst
ixpk= 3, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 512, 521,
&end
#
# 83 TYR HA 85 GLN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 506, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 TYR HA 86 PHE HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 506, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 TYR HA 86 PHE HB2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 506, 570, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 TYR HA 86 PHE HB3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 506, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 TYR HA 86 PHE QD 3.30
&rst
ixpk= 3, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 574, 582,
&end
#
# 83 TYR HA 86 PHE QE 5.00
&rst
ixpk= 3, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 576, 580,
&end
#
# 83 TYR QD 84 TRP HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 512, 521,
&end
#
# 83 TYR QE 84 TRP HN 5.00 (#8-14)
&rst
ixpk= 3, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 514, 519,
&end
#
# 83 TYR QE 84 TRP HD1 5.00
&rst
ixpk= 3, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 514, 519,
&end
#
# 84 TRP HN 84 TRP HB3 3.30
&rst
ixpk= 3, nxpk= 0, iat= 525, 530, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 TRP HN 84 TRP HD1 2.70
&rst
ixpk= 3, nxpk= 0, iat= 525, 533, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 84 TRP HN 84 TRP HE1 5.00
&rst
ixpk= 3, nxpk= 0, iat= 525, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HN 85 GLN HN 3.30
&rst
ixpk= 3, nxpk= 0, iat= 525, 549, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 TRP HN 85 GLN HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 525, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HN 86 PHE HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 525, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HA 86 PHE HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 527, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HB2 84 TRP HE3 3.30
&rst
ixpk= 3, nxpk= 0, iat= 529, 544, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 TRP HD1 85 GLN QG 5.00 (#9-14)
&rst
ixpk= 3, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 556, 557,
&end
#
# 84 TRP HE3 85 GLN HN 5.00
&rst
ixpk= 3, nxpk= 0, iat= 544, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HE3 85 GLN HA 5.00
&rst
ixpk= 3, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HE3 85 GLN HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 544, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HE3 85 GLN HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 544, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HE1 85 GLN HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 535, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HE1 85 GLN HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 535, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HE1 85 GLN QE2 5.00 (#8-2)
&rst
ixpk= 3, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 562,
&end
#
# 84 TRP HZ3 85 GLN HA 5.00 (#8-21)
&rst
ixpk= 3, nxpk= 0, iat= 542, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ3 85 GLN HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 542, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ3 85 GLN HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 542, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ2 85 GLN HG2 5.00
&rst
ixpk= 3, nxpk= 0, iat= 538, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ2 85 GLN HG3 5.00
&rst
ixpk= 3, nxpk= 0, iat= 538, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ2 85 GLN HE21 5.00 (#8-2. 8-14)
&rst
ixpk= 8, nxpk= 0, iat= 538, 561, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ2 85 GLN HE22 5.00 (#8-2. 8-14)
&rst
ixpk= 8, nxpk= 0, iat= 538, 562, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HH2 85 GLN HG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 540, 556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HH2 85 GLN HG3 5.00
&rst
ixpk= 8, nxpk= 0, iat= 540, 557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 GLN HN 85 GLN HG2 3.30
&rst
ixpk= 8, nxpk= 0, iat= 549, 556, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 85 GLN HN 85 GLN HG3 3.30
&rst
ixpk= 8, nxpk= 0, iat= 549, 557, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 85 GLN HN 86 PHE QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 570, 571,
&end
#
# 85 GLN HN 86 PHE QD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 574, 582,
&end
#
# 85 GLN HB2 131 HIP HE1 3.30
&rst
ixpk= 8, nxpk= 0, iat= 553,1246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 85 GLN HB3 131 HIP HE1 3.30
&rst
ixpk= 8, nxpk= 0, iat= 554,1246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 85 GLN QG 131 HIP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 556, 557,
&end
#
# 85 GLN QE2 131 HIP HE1 3.3 (#8-9)
&rst
ixpk= 8, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 561, 562,
&end
#
# 85 GLN QE2 135 LEU QQD 5.00 (#8-3)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 561, 562,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 86 PHE HN 86 PHE QB 2.70
&rst
ixpk= 8, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 570, 571,
&end
#
# 86 PHE HN 86 PHE QD 3.30
&rst
ixpk= 8, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 574, 582,
&end
#
# 86 PHE HN 87 PRO QD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 587, 588,
&end
#
# 86 PHE HA 87 PRO HD2 2.70
&rst
ixpk= 8, nxpk= 0, iat= 568, 587, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 86 PHE HA 87 PRO HD3 2.70
&rst
ixpk= 8, nxpk= 0, iat= 568, 588, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 86 PHE QD 87 PRO QG 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 574, 582,
igr2= 590, 591,
&end
#
# 86 PHE QD 87 PRO HD2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 574, 582,
&end
#
# 86 PHE QD 87 PRO HD3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 574, 582,
&end
#
# 86 PHE HA 138 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1387,1388,1389,1391,1392,1393,
&end
#
# 86 PHE QB 138 LEU QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 570, 571,
igr2=1387,1388,1389,
&end
#
# 86 PHE QB 138 LEU QD2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 570, 571,
igr2=1391,1392,1393,
&end
#
# 86 PHE QD 134 VAL QG1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 574, 582,
igr2=1301,1302,1303,
&end
#
# 86 PHE QD 135 LEU HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 574, 582,
&end
#
# 86 PHE QD 135 LEU QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 574, 582,
igr2=1320,1321,1322,
&end
#
# 86 PHE QD 135 LEU QD2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 574, 582,
igr2=1324,1325,1326,
&end
#
# 86 PHE QD 135 LEU QQD 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 574, 582,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 86 PHE QD 138 LEU QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 574, 582,
igr2=1382,1383,
&end
#
# 86 PHE QE 131 HIP HA 5.00 (#8-14)
&rst
ixpk= 8, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 576, 580,
&end
#
# 86 PHE QE 134 VAL HB 5.00 (#8-9 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 576, 580,
&end
#
# 86 PHE QE 134 VAL QG1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 576, 580,
igr2=1301,1302,1303,
&end
#
# 86 PHE QE 134 VAL QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 576, 580,
igr2=1305,1306,1307,
&end
#
# 86 PHE QE 135 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 576, 580,
&end
#
# 86 PHE QE 135 LEU HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 576, 580,
&end
#
# 86 PHE QE 135 LEU HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 576, 580,
&end
#
# 86 PHE QE 135 LEU HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 576, 580,
&end
#
# 86 PHE QE 135 LEU QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 576, 580,
igr2=1320,1321,1322,
&end
#
# 86 PHE QE 135 LEU QD2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 576, 580,
igr2=1324,1325,1326,
&end
#
# 86 PHE HZ 134 VAL HB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 578,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 PHE HZ 134 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 86 PHE HZ 135 LEU HN 5.00 (#8-7)
&rst
ixpk= 8, nxpk= 0, iat= 578,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 PHE HZ 131 HIP HA 5.00 (#7-28)
&rst
ixpk= 8, nxpk= 0, iat= 578,1238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PRO HA 88 ASP HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 87 PRO HA 89 GLY HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 596, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PRO HB2 89 GLY HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 593, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PRO HB3 89 GLY HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 594, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PRO QB 138 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 593, 594,
igr2=1387,1388,1389,1391,1392,1393,
&end
#
# 87 PRO QB 139 ILE QD1 5.00 (#9-13)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 593, 594,
igr2=1410,1411,1412,
&end
#
# 87 PRO HG2 135 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 87 PRO HD2 135 LEU QQD 3.30
&rst
ixpk= 8, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 87 PRO HD2 138 LEU QQD 3.30
&rst
ixpk= 8, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1387,1388,1389,1391,1392,1393,
&end
#
# 87 PRO HD3 135 LEU QQD 5.00 (#9-26.changed from 3.3. )
&rst
ixpk= 8, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 87 PRO HD3 138 LEU QQD 5.00 (#9-26.changed from 3.3. )
&rst
ixpk= 8, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1387,1388,1389,1391,1392,1393,
&end
#
# 88 ASP HN 89 GLY HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 88 ASP HN 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 88 ASP HA 138 LEU QQD 3.30
&rst
ixpk= 8, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1387,1388,1389,1391,1392,1393,
&end
#
# 88 ASP HA 142 ILE QD1 3.30
&rst
ixpk= 8, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1466,1467,1468,
&end
#
# 89 GLY HN 142 ILE QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1459,1460,1461,
&end
#
# 89 GLY HN 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 89 GLY HA2 142 ILE QG2 3.30
&rst
ixpk= 8, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1459,1460,1461,
&end
#
# 89 GLY HA2 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 89 GLY HA3 142 ILE QG2 5.00 (#8-14 changed from 3.3 )
&rst
ixpk= 8, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1459,1460,1461,
&end
#
# 89 GLY HA3 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 89 GLY QA 90 ILE HN 2.70 (#9-14)
&rst
ixpk= 8, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 614, 615,
&end
#
# 90 ILE HN 142 ILE QG2 3.30
&rst
ixpk= 8, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1459,1460,1461,
&end
#
# 90 ILE HN 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 90 ILE HA 91 TYR HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 621, 638, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 90 ILE HA 91 TYR HB2 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 621, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 ILE HA 91 TYR HB3 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 621, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 ILE QG2 91 TYR HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 91 TYR HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 91 TYR HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 91 TYR HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 92 TYR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 92 TYR HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 92 TYR HB3 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 92 TYR QD 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 625, 626, 627,
igr2= 667, 676,
&end
#
# 90 ILE QG2 113 THR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 113 THR HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 113 THR HB 5.0 (#9-7)
&rst
ixpk= 8, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 113 THR HG1 3.3 (#9-7)
&rst
ixpk= 8, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 625, 626, 627,
&end
#
# 90 ILE QG2 113 THR QG2 5.0 (#9-7)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 625, 626, 627,
igr2= 962, 963, 964,
&end
#
# 90 ILE HG12 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 90 ILE HG13 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 90 ILE QD1 113 THR HA 5.0 (#9-7)
&rst
ixpk= 8, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 632, 633, 634,
&end
#
# 90 ILE QD1 113 THR HB 5.0 (#9-7)
&rst
ixpk= 8, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 632, 633, 634,
&end
#
# 90 ILE QD1 113 THR HG1 5.0 (#9-7)
&rst
ixpk= 8, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 632, 633, 634,
&end
#
# 90 ILE QD1 113 THR QG2 5.0 (#9-7)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 632, 633, 634,
igr2= 962, 963, 964,
&end
#
# 90 ILE QD1 139 ILE HA 2.70
&rst
ixpk= 8, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 632, 633, 634,
&end
#
# 90 ILE QD1 139 ILE HB 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 632, 633, 634,
&end
#
# 90 ILE QD1 142 ILE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 632, 633, 634,
&end
#
# 90 ILE QD1 142 ILE HB 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 632, 633, 634,
&end
#
# 90 ILE QD1 142 ILE QG2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 632, 633, 634,
igr2=1459,1460,1461,
&end
#
# 90 ILE QD1 142 ILE QD1 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 632, 633, 634,
igr2=1466,1467,1468,
&end
#
# 91 TYR HN 91 TYR HB2 2.70
&rst
ixpk= 8, nxpk= 0, iat= 638, 642, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 91 TYR HN 91 TYR HB3 2.70
&rst
ixpk= 8, nxpk= 0, iat= 638, 643, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 91 TYR HA 91 TYR QD 3.30
&rst
ixpk= 8, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 646, 655,
&end
#
# 91 TYR HA 92 TYR HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 91 TYR HB2 91 TYR QD 3.30
&rst
ixpk= 8, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 646, 655,
&end
#
# 91 TYR HB3 91 TYR QD 3.30
&rst
ixpk= 8, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 646, 655,
&end
#
# 91 TYR QE 93 GLU HG2 5.00 (#8-21 )
&rst
ixpk= 8, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 648, 653,
&end
#
# 91 TYR QE 93 GLU HG3 5.00 (#8-21 )
&rst
ixpk= 8, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 648, 653,
&end
#
# 92 TYR HN 93 GLU HG2 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 659, 687, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 TYR HN 93 GLU HG3 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 659, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 TYR HN 94 GLY HN 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 659, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 TYR HA 93 GLU HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 661, 680, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 92 TYR HA 93 GLU HA 6.00 (#9-6 )
&rst
ixpk= 8, nxpk= 0, iat= 661, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 TYR HA 93 GLU QB 6.00 (#9-6 )
&rst
ixpk= 8, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 684, 685,
&end
#
# 92 TYR HA 93 GLU HG2 5.00 (#8-21 )
&rst
ixpk= 8, nxpk= 0, iat= 661, 687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 TYR HA 93 GLU HG3 5.00 (#8-21 )
&rst
ixpk= 8, nxpk= 0, iat= 661, 688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 TYR QB 146 LYS HE2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 663, 664,
&end
#
# 92 TYR QB 146 LYS HE3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 663, 664,
&end
#
# 92 TYR QD 93 GLU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 667, 676,
&end
#
# 92 TYR QD 93 GLU HA 5.00 (#10-25 )
&rst
ixpk= 8, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 94 GLY HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 94 GLY QA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 667, 676,
igr2= 697, 698,
&end
#
# 92 TYR QD 105 LEU HG 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 105 LEU QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 667, 676,
igr2= 855, 856, 857,
&end
#
# 92 TYR QD 105 LEU QD2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 667, 676,
igr2= 859, 860, 861,
&end
#
# 92 TYR QD 109 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 109 CYX HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 109 CYX HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 109 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 109 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 109 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 109 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 667, 676,
&end
#
# 92 TYR QD 112 ALA QB 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 667, 676,
igr2= 950, 951, 952,
&end
#
# 92 TYR QE 94 GLY HN 5.00 (#10-24)
&rst
ixpk= 8, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 94 GLY HA2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 669, 674,
&end
#
# 92 TYR QE 94 GLY HA3 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 669, 674,
&end
#
# 92 TYR QE 105 LEU HG 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 669, 674,
&end
#
# 92 TYR QE 105 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 669, 674,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 92 TYR QE 109 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 109 CYX HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 109 CYX HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 109 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 109 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 109 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 109 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 112 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 112 ALA HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 669, 674,
&end
#
# 92 TYR QE 112 ALA QB 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 669, 674,
igr2= 950, 951, 952,
&end
#
# 93 GLU HN 93 GLU QB 2.70
&rst
ixpk= 8, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 684, 685,
&end
#
# 93 GLU HN 93 GLU HG2 5.00 (#9-8)
&rst
ixpk= 8, nxpk= 0, iat= 680, 687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 GLU HN 93 GLU HG3 5.00 (#9-8)
&rst
ixpk= 8, nxpk= 0, iat= 680, 688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 GLU HA 94 GLY HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 682, 695, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 93 GLU HA 94 GLY HA2 5.0 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= 682, 697, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 GLU HA 94 GLY HA3 5.0 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= 682, 698, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 GLU HA 95 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 682, 702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 GLU HG2 94 GLY HN 5.00 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= 687, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 GLU HG3 94 GLY HN 5.00 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLY HN 94 GLY HA2 3.0 (#8-24. changed from 2.7)
&rst
ixpk= 8, nxpk= 0, iat= 695, 697, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 94 GLY HN 94 GLY HA3 3.0 (#9-8. changed from 3.3)
&rst
ixpk= 8, nxpk= 0, iat= 695, 698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 94 GLY HN 95 CYX HN 3.30 (#10-25)
&rst
ixpk= 8, nxpk= 0, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 94 GLY HN 105 LEU QQD 5.0 (#8-10)
&rst
ixpk= 8, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 94 GLY HA2 105 LEU HG 5.00 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= 697, 853, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLY HA2 105 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 94 GLY HA3 105 LEU HG 5.00 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= 698, 853, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 GLY HA3 105 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 95 CYX HN 100 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 768, 769, 770, 772, 773, 774,
&end
#
# 95 CYX HN 105 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 95 CYX HN 150 PHE HZ 5.00 (#8-17)
&rst
ixpk= 8, nxpk= 0, iat= 702,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 CYX HA 97 GLU HN 5.00 (#10-25)
&rst
ixpk= 8, nxpk= 0, iat= 704, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 CYX HA 100 VAL HB 5.00 (#8-22)
&rst
ixpk= 8, nxpk= 0, iat= 704, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 CYX HA 100 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 768, 769, 770, 772, 773, 774,
&end
#
# 95 CYX HA 105 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 855, 856, 857, 859, 860, 861,
&end
#
# 95 CYX HA 150 PHE HZ 5.00
&rst
ixpk= 8, nxpk= 0, iat= 704,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 CYX HB2 150 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1575,1579,
&end
#
# 95 CYX HB2 150 PHE HZ 5.00
&rst
ixpk= 8, nxpk= 0, iat= 706,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 CYX HB3 150 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1575,1579,
&end
#
# 95 CYX HB3 150 PHE HZ 5.00
&rst
ixpk= 8, nxpk= 0, iat= 707,1577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 CYX QB 96 SER HA 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 706, 707,
&end
#
# 96 SER HN 96 SER QB 3.30 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 716, 717,
&end
#
# 96 SER HN 97 GLU HN 3.30 (#8-14)
&rst
ixpk= 8, nxpk= 0, iat= 712, 723, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 96 SER HN 100 VAL QQG 5.00 (#10-25)
&rst
ixpk= 8, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 768, 769, 770, 772, 773, 774,
&end
#
# 97 GLU HN 100 VAL HB 5.00 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= 723, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 GLU HN 100 VAL QQG 3.30 (#10-25 changed from 5.00 )
&rst
ixpk= 8, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 768, 769, 770, 772, 773, 774,
&end
#
# 97 GLU HA 98 ALA HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 725, 738, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 97 GLU HA 98 ALA HA 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 725, 740, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 GLU HA 98 ALA QB 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 742, 743, 744,
&end
#
# 97 GLU HB2 99 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 727, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 GLU HB2 100 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 768, 769, 770, 772, 773, 774,
&end
#
# 97 GLU HB3 99 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 728, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 GLU HB3 100 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 768, 769, 770, 772, 773, 774,
&end
#
# 97 GLU QB 100 VAL HN 5.00 (#9-12)
&rst
ixpk= 8, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 727, 728,
&end
#
# 97 GLU HG2 98 ALA HN 5.00 (#10-25)
&rst
ixpk= 8, nxpk= 0, iat= 730, 738, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 GLU HG2 100 VAL HB 5.00 (#8-22)
&rst
ixpk= 8, nxpk= 0, iat= 730, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 GLU HG2 100 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 768, 769, 770, 772, 773, 774,
&end
#
# 97 GLU HG3 100 VAL HB 5.00 (#8-22)
&rst
ixpk= 8, nxpk= 0, iat= 731, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 GLU HG3 100 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 768, 769, 770, 772, 773, 774,
&end
#
# 97 GLU HG2 98 ALA HN 5.00 (#10-25)
&rst
ixpk= 8, nxpk= 0, iat= 730, 738, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 GLU QG 99 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 730, 731,
&end
#
# 97 GLU QG 100 VAL HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 730, 731,
&end
#
# 98 ALA HN 98 ALA HA 2.70
&rst
ixpk= 8, nxpk= 0, iat= 738, 740, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 98 ALA HN 100 VAL HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 738, 762, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ALA HN 152 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1618,1619,1620,1622,1623,1624,
&end
#
# 98 ALA HA 99 ASN HA 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 740, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 ALA HA 100 VAL HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 740, 762, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 ALA QB 99 ASN HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 742, 743, 744,
&end
#
# 98 ALA QB 99 ASN QB 5.00 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 742, 743, 744,
igr2= 752, 753,
&end
#
# 98 ALA QB 99 ASN HD21 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 742, 743, 744,
&end
#
# 98 ALA QB 99 ASN HD22 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 742, 743, 744,
&end
#
# 98 ALA QB 150 PHE QD 5.00 (#8-21)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 742, 743, 744,
igr2=1573,1581,
&end
#
# 99 ASN HN 99 ASN HD21 5.00
&rst
ixpk= 8, nxpk= 0, iat= 748, 757, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASN HN 99 ASN HD22 5.00 (#8-22)
&rst
ixpk= 8, nxpk= 0, iat= 748, 758, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ASN HN 100 VAL HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 748, 762, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 99 ASN HN 100 VAL HB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 748, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 VAL HA 101 THR HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 764, 778, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 100 VAL HA 104 MET HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 764, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 VAL HA 104 MET HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= 764, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 VAL HA 104 MET QE 3.30
&rst
ixpk= 8, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 840, 841, 842,
&end
#
# 100 VAL HB 151 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 766,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 VAL QQG 104 MET HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 768, 769, 770, 772, 773, 774,
&end
#
# 100 VAL QQG 104 MET QG 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 768, 769, 770, 772, 773, 774,
igr2= 836, 837,
&end
#
# 100 VAL QQG 104 MET QE 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 768, 769, 770, 772, 773, 774,
igr2= 840, 841, 842,
&end
#
# 100 VAL QQG 105 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 768, 769, 770, 772, 773, 774,
&end
#
# 100 VAL QQG 105 LEU HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 768, 769, 770, 772, 773, 774,
&end
#
# 100 VAL QQG 105 LEU HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 768, 769, 770, 772, 773, 774,
&end
#
# 100 VAL QQG 105 LEU HG 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 768, 769, 770, 772, 773, 774,
&end
#
# 100 VAL QQG 105 LEU QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 768, 769, 770, 772, 773, 774,
igr2= 855, 856, 857,
&end
#
# 100 VAL QQG 105 LEU QD2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 768, 769, 770, 772, 773, 774,
igr2= 859, 860, 861,
&end
#
# 100 VAL QQG 150 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 768, 769, 770, 772, 773, 774,
igr2=1575,1579,
&end
#
# 100 VAL QQG 150 PHE HZ 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 768, 769, 770, 772, 773, 774,
&end
#
# 100 VAL QQG 151 TRP HZ2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 768, 769, 770, 772, 773, 774,
&end
#
# 100 VAL QQG 151 TRP HE1 3.30 (#8-9)
&rst
ixpk= 8, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 768, 769, 770, 772, 773, 774,
&end
#
# 101 THR HN 104 MET HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= 778, 831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR HN 104 MET HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 778, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR HN 104 MET HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= 778, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR HN 104 MET QG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 836, 837,
&end
#
# 101 THR HN 104 MET QE 5.00
&rst
ixpk= 8, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 840, 841, 842,
&end
#
# 101 THR HN 105 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 778, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR HA 102 LYS HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 780, 792, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 101 THR HA 102 LYS HA 6.00 (#9-6)
&rst
ixpk= 8, nxpk= 0, iat= 780, 794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 THR HA 102 LYS HB2 6.00 (#9-6 )
&rst
ixpk= 8, nxpk= 0, iat= 780, 796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 THR HA 102 LYS HB3 6.00 (#9-6 )
&rst
ixpk= 8, nxpk= 0, iat= 780, 797, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 THR HA 103 GLU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 780, 814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR HA 104 MET HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 780, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR HA 151 TRP HE1 3.30
&rst
ixpk= 8, nxpk= 0, iat= 780,1595, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 101 THR HA 151 TRP HZ2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 780,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR HB 102 LYS HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 782, 792, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 101 THR HB 102 LYS HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= 782, 794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR HB 103 GLU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 782, 814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 THR QG2 151 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 784, 785, 786,
&end
#
# 102 LYS HN 151 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 792,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LYS HA 104 MET HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 794, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LYS HA 105 LEU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 794, 846, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 102 LYS HA 105 LEU HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 794, 850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LYS HA 105 LEU HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= 794, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LYS HA 105 LEU QB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 850, 851,
&end
#
# 102 LYS HA 151 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 794,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LYS HA 151 TRP HZ2 3.30
&rst
ixpk= 8, nxpk= 0, iat= 794,1598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 102 LYS HA 151 TRP HH2 3.30
&rst
ixpk= 8, nxpk= 0, iat= 794,1600, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 102 LYS HB2 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 796,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LYS HB3 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 797,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 LYS QB 151 TRP HZ3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 796, 797,
&end
#
# 102 LYS QG 103 GLU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 799, 800,
&end
#
# 102 LYS QG 151 TRP HH2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 799, 800,
&end
#
# 102 LYS QD 151 TRP HZ3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 802, 803,
&end
#
# 102 LYS QD 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 802, 803,
&end
#
# 102 LYS HE2 106 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 102 LYS HE3 106 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 871, 872, 873, 875, 876, 877,
&end
#
# 103 GLU HN 103 GLU QG 3.30
&rst
ixpk= 8, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 821, 822,
&end
#
# 103 GLU HN 104 MET HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 814, 829, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 103 GLU HN 105 LEU HN 5.00 (#8-21 )
&rst
ixpk= 8, nxpk= 0, iat= 814, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 GLU HA 106 VAL HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 816, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 GLU HA 106 VAL HB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 816, 869, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 103 GLU HA 106 VAL QG1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 871, 872, 873,
&end
#
# 103 GLU HA 106 VAL QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 875, 876, 877,
&end
#
# 103 GLU HA 107 THR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 816, 881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 GLU HG2 104 MET HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 821, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 GLU HG3 104 MET HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 MET HN 104 MET QG 2.70
&rst
ixpk= 8, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 836, 837,
&end
#
# 104 MET HN 104 MET QE 5.00 (#8-22 )
&rst
ixpk= 8, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 840, 841, 842,
&end
#
# 104 MET HN 105 LEU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 829, 846, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 104 MET HN 106 VAL HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 829, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 MET HA 104 MET QG 2.70
&rst
ixpk= 8, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 836, 837,
&end
#
# 104 MET HA 107 THR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 831, 881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 MET HA 107 THR HB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 831, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 MET HA 107 THR QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 887, 888, 889,
&end
#
# 104 MET QE 105 LEU HN 5.00 (#8-22)
&rst
ixpk= 8, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 840, 841, 842,
&end
#
# 105 LEU HN 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 846,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 LEU HB2 151 TRP HZ2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 850,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 LEU HB2 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 850,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 LEU HB3 151 TRP HZ2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 851,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 LEU HB3 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 851,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 LEU QD1 151 TRP HZ2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 855, 856, 857,
&end
#
# 105 LEU QD1 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 855, 856, 857,
&end
#
# 105 LEU QD2 151 TRP HZ2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 859, 860, 861,
&end
#
# 105 LEU QD2 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 859, 860, 861,
&end
#
# 105 LEU QQD 146 LYS HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 105 LEU QQD 146 LYS HG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 105 LEU QQD 146 LYS HG3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 105 LEU QQD 147 HIP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 105 LEU QQD 147 HIP HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 105 LEU QQD 151 TRP HH2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 855, 856, 857, 859, 860, 861,
&end
#
# 106 VAL HN 106 VAL HB 2.70 (#9-14 from 3.3)
&rst
ixpk= 8, nxpk= 0, iat= 865, 869, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 106 VAL HN 106 VAL QG2 2.70 (#9-14)
&rst
ixpk= 8, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 875, 876, 877,
&end
#
# 106 VAL HN 107 THR HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 865, 881, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 106 VAL HN 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 865,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 VAL HA 108 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 867, 895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 VAL HA 109 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 867, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 VAL HA 109 CYX QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 910, 911,
&end
#
# 106 VAL HA 143 CYX HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= 867,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 VAL HA 143 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 867,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 VAL HA 143 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= 867,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 VAL HA 144 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 867,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 VAL HA 146 LYS QG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1510,1511,
&end
#
# 106 VAL HB 107 THR HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 869, 881, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 106 VAL QG1 143 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 871, 872, 873,
&end
#
# 106 VAL QG1 143 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 871, 872, 873,
&end
#
# 106 VAL QG1 144 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 871, 872, 873,
&end
#
# 106 VAL QG1 144 SER HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 871, 872, 873,
&end
#
# 106 VAL QG1 144 SER HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 871, 872, 873,
&end
#
# 106 VAL QG1 144 SER HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 871, 872, 873,
&end
#
# 106 VAL QG1 145 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 871, 872, 873,
&end
#
# 106 VAL QG2 143 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 875, 876, 877,
&end
#
# 106 VAL QG2 143 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 875, 876, 877,
&end
#
# 106 VAL QG2 144 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 875, 876, 877,
&end
#
# 106 VAL QG2 144 SER HA 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 875, 876, 877,
&end
#
# 106 VAL QG2 144 SER HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 875, 876, 877,
&end
#
# 106 VAL QG2 144 SER HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 875, 876, 877,
&end
#
# 106 VAL QG2 145 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 875, 876, 877,
&end
#
# 106 VAL QQG 140 LYS QD 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 871, 872, 873, 875, 876, 877,
igr2=1426,1427,
&end
#
# 107 THR HN 107 THR HB 2.70 (#9-14. from 3.30 )
&rst
ixpk= 8, nxpk= 0, iat= 881, 885, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 107 THR HN 108 SER HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 881, 895, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 THR HN 109 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 881, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 THR HA 109 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 883, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 THR HA 110 VAL HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 883, 916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 THR HA 110 VAL HB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 883, 920, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 THR HA 110 VAL QQG 3.30
&rst
ixpk= 8, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 922, 923, 924, 926, 927, 928,
&end
#
# 107 THR HA 111 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 883, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 THR HB 108 SER HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 885, 895, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 THR QG2 110 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 887, 888, 889,
igr2= 922, 923, 924, 926, 927, 928,
&end
#
# 107 THR QG2 111 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 887, 888, 889,
&end
#
# 107 THR QG2 111 ASN HD21 3.30 (#8-9)
&rst
ixpk= 8, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 887, 888, 889,
&end
#
# 107 THR QG2 111 ASN HD22 3.30 (#8-9 )
&rst
ixpk= 8, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 887, 888, 889,
&end
#
# 108 SER HN 109 CYX QB 5.00 (#9-13)
&rst
ixpk= 8, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 910, 911,
&end
#
# 108 SER HN 110 VAL HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 895, 916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 SER HA 110 VAL HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 897, 916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 SER HA 111 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 897, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 SER HA 111 ASN QB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 936, 937,
&end
#
# 108 SER HA 111 ASN HD22 5.00
&rst
ixpk= 8, nxpk= 0, iat= 897, 942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 SER HB2 111 ASN QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 936, 937,
&end
#
# 108 SER HB3 111 ASN QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 936, 937,
&end
#
# 109 CYX HN 109 CYX HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 CYX HN 109 CYX HB3 3.30
&rst
ixpk= 8, nxpk= 0, iat= 906, 911, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 CYX HN 110 VAL HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 CYX HN 111 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 906, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 CYX HA 111 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 908, 932, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 CYX HA 112 ALA HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 908, 946, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 CYX HA 112 ALA QB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 950, 951, 952,
&end
#
# 109 CYX HA 113 THR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 908, 956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 CYX HA 113 THR HG1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 908, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 CYX HB2 110 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 922, 923, 924, 926, 927, 928,
&end
#
# 109 CYX HB3 110 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL HN 110 VAL HB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 110 VAL HN 111 ASN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 916, 932, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 110 VAL HN 112 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 916, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL HN 113 THR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 916, 956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL HN 143 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 916,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL HN 143 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= 916,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL HA 112 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 918, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL HA 113 THR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 918, 956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL HA 113 THR HB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 918, 960, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 110 VAL HA 113 THR QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 962, 963, 964,
&end
#
# 110 VAL HA 113 THR HG1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 918, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL HA 114 GLN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 918, 970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL HA 139 ILE QG2 3.30
&rst
ixpk= 8, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1403,1404,1405,
&end
#
# 110 VAL HA 139 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1410,1411,1412,
&end
#
# 110 VAL HB 111 ASN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 920, 932, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 110 VAL HB 136 TRP HZ3 5.00
&rst
ixpk= 8, nxpk= 0, iat= 920,1347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 VAL QG1 114 GLN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 922, 923, 924,
&end
#
# 110 VAL QG1 136 TRP HZ3 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 922, 923, 924,
&end
#
# 110 VAL QG2 136 TRP HZ3 3.30 (#9-13 changed from 2.70 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 926, 927, 928,
&end
#
# 110 VAL QG2 140 LYS HA 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 926, 927, 928,
&end
#
# 110 VAL QG2 143 CYX HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 926, 927, 928,
&end
#
# 110 VAL QG2 143 CYX HB3 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 926, 927, 928,
&end
#
# 110 VAL QQG 111 ASN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL QQG 111 ASN QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 922, 923, 924, 926, 927, 928,
igr2= 936, 937,
&end
#
# 110 VAL QQG 111 ASN HD21 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL QQG 111 ASN HD22 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL QQG 112 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL QQG 113 THR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL QQG 114 GLN HG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL QQG 114 GLN HG3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL QQG 114 GLN HE21 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 110 VAL QQG 114 GLN HE22 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 922, 923, 924, 926, 927, 928,
&end
#
# 111 ASN HN 111 ASN QB 2.70
&rst
ixpk= 8, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 936, 937,
&end
#
# 111 ASN HN 111 ASN HD21 5.00
&rst
ixpk= 8, nxpk= 0, iat= 932, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HN 111 ASN HD22 5.00
&rst
ixpk= 8, nxpk= 0, iat= 932, 942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HN 112 ALA HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 932, 946, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 111 ASN HN 112 ALA QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 950, 951, 952,
&end
#
# 111 ASN HN 113 THR HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 932, 956, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HA 114 GLN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 934, 970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HA 114 GLN QB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 974, 975,
&end
#
# 111 ASN HA 114 GLN HG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 934, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HA 114 GLN HG3 5.00
&rst
ixpk= 8, nxpk= 0, iat= 934, 978, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HA 114 GLN HE21 5.00
&rst
ixpk= 8, nxpk= 0, iat= 934, 982, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HA 114 GLN HE22 5.00
&rst
ixpk= 8, nxpk= 0, iat= 934, 983, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 ASN HA 115 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 934, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 ALA HN 113 THR HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 946, 956, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 112 ALA HN 115 ALA QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 991, 992, 993,
&end
#
# 112 ALA QB 113 THR HG1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 950, 951, 952,
&end
#
# 113 THR HN 113 THR HB 2.70
&rst
ixpk= 8, nxpk= 0, iat= 956, 960, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 113 THR HN 113 THR HG1 3.30
&rst
ixpk= 8, nxpk= 0, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 113 THR HN 114 GLN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 956, 970, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 113 THR HN 115 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 956, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 THR HA 116 ALA QB 3.30
&rst
ixpk= 8, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1001,1002,1003,
&end
#
# 113 THR HA 117 ASN HD21 5.00
&rst
ixpk= 8, nxpk= 0, iat= 958,1016, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 THR HA 117 ASN HD22 5.00
&rst
ixpk= 8, nxpk= 0, iat= 958,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 THR HB 114 GLN HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= 960, 970, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 113 THR HB 139 ILE QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1403,1404,1405,
&end
#
# 113 THR HB 139 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1410,1411,1412,
&end
#
# 113 THR QG2 114 GLN HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 962, 963, 964,
&end
#
# 113 THR QG2 117 ASN HD21 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 962, 963, 964,
&end
#
# 113 THR QG2 117 ASN HD22 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 962, 963, 964,
&end
#
# 113 THR QG2 121 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 962, 963, 964,
igr2=1073,1077,
&end
#
# 113 THR QG2 121 PHE HZ 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 962, 963, 964,
&end
#
# 113 THR QG2 139 ILE HB 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 962, 963, 964,
&end
#
# 113 THR QG2 139 ILE QG2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 962, 963, 964,
igr2=1403,1404,1405,
&end
#
# 113 THR QG2 139 ILE QG1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 962, 963, 964,
igr2=1407,1408,
&end
#
# 113 THR QG2 139 ILE QD1 2.70
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 962, 963, 964,
igr2=1410,1411,1412,
&end
#
# 113 THR HG1 139 ILE QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1403,1404,1405,
&end
#
# 113 THR HG1 139 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1410,1411,1412,
&end
#
# 114 GLN HN 114 GLN HA 2.70
&rst
ixpk= 8, nxpk= 0, iat= 970, 972, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 114 GLN HN 114 GLN QG 3.30
&rst
ixpk= 8, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 977, 978,
&end
#
# 114 GLN HN 115 ALA HN 3.30 (#8-7. from 2.7)
&rst
ixpk= 8, nxpk= 0, iat= 970, 987, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 114 GLN HN 115 ALA QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 991, 992, 993,
&end
#
# 114 GLN HN 116 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 970, 997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HN 117 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 970,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HN 136 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 970,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HA 114 GLN QG 3.30
&rst
ixpk= 8, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 977, 978,
&end
#
# 114 GLN HA 116 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 972, 997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HA 117 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 972,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HA 121 PHE QD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1071,1079,
&end
#
# 114 GLN HA 121 PHE QE 3.30
&rst
ixpk= 8, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1073,1077,
&end
#
# 114 GLN HA 139 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1410,1411,1412,
&end
#
# 114 GLN QB 115 ALA HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 974, 975,
&end
#
# 114 GLN QB 136 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 974, 975,
&end
#
# 114 GLN HG2 115 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 977, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HG2 121 PHE QD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1071,1079,
&end
#
# 114 GLN HG2 121 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1073,1077,
&end
#
# 114 GLN HG2 136 TRP HZ2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 977,1343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HG2 136 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 977,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HG3 115 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 978, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HG3 121 PHE QD 5.00
&rst
ixpk= 8, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1071,1079,
&end
#
# 114 GLN HG3 121 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1073,1077,
&end
#
# 114 GLN HG3 136 TRP HZ2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 978,1343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 GLN HG3 136 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat= 978,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 ALA HN 115 ALA HA 2.70
&rst
ixpk= 8, nxpk= 0, iat= 987, 989, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 115 ALA HN 116 ALA HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 987, 997, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 115 ALA HN 116 ALA QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
&end
#
# 115 ALA HN 117 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 987,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 ALA HA 117 ASN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 989,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 ALA HA 118 GLN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= 989,1021, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 ALA HA 118 GLN QB 5.00
&rst
ixpk= 8, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1025,1026,
&end
#
# 115 ALA HA 118 GLN QG 3.30
&rst
ixpk= 8, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1028,1029,
&end
#
# 115 ALA HA 118 GLN HE21 5.00
&rst
ixpk= 8, nxpk= 0, iat= 989,1033, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 115 ALA QB 118 GLN HG2 5.00 (#10-25)
&rst
ixpk= 8, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 991, 992, 993,
&end
#
# 115 ALA QB 118 GLN HG3 5.00 (#10-25)
&rst
ixpk= 8, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 991, 992, 993,
&end
#
# 115 ALA QB 118 GLN HE21 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 991, 992, 993,
&end
#
# 116 ALA HN 117 ASN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= 997,1007, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 116 ALA QB 117 ASN HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1001,1002,1003,
&end
#
# 116 ALA QB 117 ASN HD21 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1001,1002,1003,
&end
#
# 116 ALA QB 117 ASN HD22 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1001,1002,1003,
&end
#
# 117 ASN HN 117 ASN HD21 5.00
&rst
ixpk= 8, nxpk= 0, iat=1007,1016, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASN HN 117 ASN HD22 5.00
&rst
ixpk= 8, nxpk= 0, iat=1007,1017, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASN HN 118 GLN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1007,1021, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 117 ASN HN 118 GLN QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1025,1026,
&end
#
# 117 ASN HA 118 GLN HN 2.70
&rst
ixpk= 8, nxpk= 0, iat=1009,1021, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 117 ASN HA 118 GLN QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1025,1026,
&end
#
# 117 ASN HA 118 GLN QG 5.00
&rst
ixpk= 8, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1028,1029,
&end
#
# 117 ASN HA 119 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1009,1038, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASN HA 120 GLU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1009,1048, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASN HB2 121 PHE QD 5.00
&rst
ixpk= 8, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1071,1079,
&end
#
# 117 ASN HB2 121 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1073,1077,
&end
#
# 117 ASN HB3 121 PHE QD 5.00
&rst
ixpk= 8, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1071,1079,
&end
#
# 117 ASN HB3 121 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1073,1077,
&end
#
# 118 GLN HN 118 GLN QB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1025,1026,
&end
#
# 118 GLN HN 119 ALA HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1021,1038, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 118 GLN HN 119 ALA QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1042,1043,1044,
&end
#
# 118 GLN HA 121 PHE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1023,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 GLN HA 121 PHE HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1023,1067, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 GLN HA 121 PHE HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1023,1068, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 GLN HA 121 PHE QD 3.30
&rst
ixpk= 8, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1071,1079,
&end
#
# 118 GLN HA 121 PHE QE 5.00 (#10-25)
&rst
ixpk= 8, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1073,1077,
&end
#
# 118 GLN HA 122 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1023,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 GLN QB 119 ALA HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1025,1026,
&end
#
# 119 ALA HN 120 GLU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1038,1048, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 119 ALA HN 121 PHE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1038,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 ALA HA 121 PHE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1040,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 ALA HA 122 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1040,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 ALA HA 122 SER QB 3.30
&rst
ixpk= 8, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1087,1088,
&end
#
# 119 ALA QB 120 GLU HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1042,1043,1044,
&end
#
# 119 ALA QB 121 PHE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1042,1043,1044,
&end
#
# 119 ALA QB 122 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1042,1043,1044,
&end
#
# 119 ALA QB 123 ARG HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1042,1043,1044,
&end
#
# 120 GLU HN 120 GLU HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1048,1052, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 120 GLU HN 120 GLU QG 3.30
&rst
ixpk= 8, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1055,1056,
&end
#
# 120 GLU HN 121 PHE HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1048,1063, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 120 GLU HN 121 PHE QD 5.00
&rst
ixpk= 8, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1071,1079,
&end
#
# 120 GLU HN 122 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1048,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 GLU HA 123 ARG QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1098,1099,
&end
#
# 121 PHE HN 121 PHE HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1063,1067, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 121 PHE HN 121 PHE QB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1067,1068,
&end
#
# 121 PHE HN 121 PHE QD 3.30
&rst
ixpk= 8, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1071,1079,
&end
#
# 121 PHE HA 124 GLU QG 5.00 (#8-22)
&rst
ixpk= 8, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1125,1126,
&end
#
# 121 PHE HA 132 GLN HE21 5.00
&rst
ixpk= 8, nxpk= 0, iat=1065,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 PHE HA 132 GLN HE22 5.00
&rst
ixpk= 8, nxpk= 0, iat=1065,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 PHE QD 135 LEU QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1071,1079,
igr2=1320,1321,1322,
&end
#
# 121 PHE QD 135 LEU QD2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1071,1079,
igr2=1324,1325,1326,
&end
#
# 121 PHE QD 136 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1071,1079,
&end
#
# 121 PHE QE 135 LEU QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1073,1077,
igr2=1320,1321,1322,
&end
#
# 121 PHE QE 135 LEU QD2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1073,1077,
igr2=1324,1325,1326,
&end
#
# 121 PHE QE 136 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1073,1077,
&end
#
# 121 PHE HZ 135 LEU HG 5.00
&rst
ixpk= 8, nxpk= 0, iat=1075,1318, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 PHE HZ 135 LEU QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1320,1321,1322,
&end
#
# 121 PHE HZ 135 LEU QD2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1324,1325,1326,
&end
#
# 122 SER HN 122 SER HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1083,1087, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 122 SER HN 123 ARG HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1083,1094, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 122 SER HN 124 GLU HN 5.00 (#8-22 )
&rst
ixpk= 8, nxpk= 0, iat=1083,1118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 SER HA 124 GLU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1085,1118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ARG HN 123 ARG QB 3.30
&rst
ixpk= 8, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1098,1099,
&end
#
# 123 ARG HN 123 ARG QG 3.30
&rst
ixpk= 8, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1101,1102,
&end
#
# 123 ARG HN 123 ARG QD 5.00
&rst
ixpk= 8, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1104,1105,
&end
#
# 123 ARG HN 124 GLU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1094,1118, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 123 ARG QB 124 GLU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1098,1099,
&end
#
# 123 ARG QD 124 GLU HN 5.00 (#8-22 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1104,1105,
&end
#
# 124 GLU HN 125 LYS HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 124 GLU QG 125 LYS HN 5.00 (#10-26 )
&rst
ixpk= 8, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1125,1126,
&end
#
# 125 LYS HN 125 LYS HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 125 LYS HN 125 LYS HB3 3.30
&rst
ixpk= 8, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 125 LYS HN 126 GLN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1133,1155, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 125 LYS HN 128 SER HB2 5.0
&rst
ixpk= 8, nxpk= 0, iat=1133,1188, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 LYS HN 128 SER HB3 5.0
&rst
ixpk= 8, nxpk= 0, iat=1133,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 LYS HB2 132 GLN HE21 5.00
&rst
ixpk= 8, nxpk= 0, iat=1137,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 LYS HB3 132 GLN HE21 5.00
&rst
ixpk= 8, nxpk= 0, iat=1138,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 LYS HB2 132 GLN HE22 5.00
&rst
ixpk= 8, nxpk= 0, iat=1137,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 LYS HB3 132 GLN HE22 5.00
&rst
ixpk= 8, nxpk= 0, iat=1138,1267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 GLN HN 126 GLN QG 3.30
&rst
ixpk= 8, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1162,1163,
&end
#
# 126 GLN HA 126 GLN HE21 5.00
&rst
ixpk= 8, nxpk= 0, iat=1157,1167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 GLN HA 126 GLN HE22 5.00 (#9-13)
&rst
ixpk= 8, nxpk= 0, iat=1157,1168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 GLN HA 127 ASP HA 6.00 (#9-7)
&rst
ixpk= 8, nxpk= 0, iat=1157,1174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 SER HA 130 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1186,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 SER HA 131 HIP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1186,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 SER HA 131 HIP HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1186,1240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 SER HA 131 HIP HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1186,1241, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 LYS HN 129 LYS QB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1199,1200,
&end
#
# 129 LYS HN 130 LEU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1195,1217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 129 LYS HN 130 LEU QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1221,1222,
&end
#
# 129 LYS HN 131 HIP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1195,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 LYS HA 131 HIP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1197,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 LYS HA 132 GLN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1197,1254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 LYS HG2 130 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1202,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 LYS HG3 130 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1203,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 LEU HA 132 GLN HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1219,1254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 LEU HA 133 ARG HN 5.00 (#9-12. fro m3.3)
&rst
ixpk= 8, nxpk= 0, iat=1219,1271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 LEU HA 133 ARG HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1219,1275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 LEU HA 133 ARG HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1219,1275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 LEU HA 134 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 130 LEU HG 131 HIP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1224,1236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 LEU QQD 131 HIP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1226,1227,1228,1230,1231,1232,
&end
#
# 130 LEU QQD 133 ARG HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1226,1227,1228,1230,1231,1232,
&end
#
# 130 LEU QQD 133 ARG HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1226,1227,1228,1230,1231,1232,
&end
#
# 130 LEU QQD 133 ARG HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1226,1227,1228,1230,1231,1232,
&end
#
# 130 LEU QQD 134 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1226,1227,1228,1230,1231,1232,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 131 HIP HN 131 HIP HB2 2.70
&rst
ixpk= 8, nxpk= 0, iat=1236,1240, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 131 HIP HN 131 HIP HB3 2.70
&rst
ixpk= 8, nxpk= 0, iat=1236,1241, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 131 HIP HN 131 HIP HD2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1236,1250, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 HIP HN 132 GLN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1236,1254, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 131 HIP HA 131 HIP HD2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1238,1250, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 131 HIP HA 133 ARG HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1238,1271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 HIP HA 134 VAL HB 3.30
&rst
ixpk= 8, nxpk= 0, iat=1238,1299, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 131 HIP HA 134 VAL QG1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1301,1302,1303,
&end
#
# 131 HIP HA 134 VAL QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 131 HIP HA 135 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1238,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 HIP QB 132 GLN HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1240,1241,
&end
#
# 131 HIP HD2 132 GLN HA 5.00
&rst
ixpk= 8, nxpk= 0, iat=1250,1256, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 HIP HD2 134 VAL QG1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1301,1302,1303,
&end
#
# 131 HIP HD2 134 VAL QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1305,1306,1307,
&end
#
# 131 HIP HD2 135 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 131 HIP HE1 135 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 132 GLN HN 132 GLN QE2 5.00 (#10-26)
&rst
ixpk= 8, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1266,1267,
&end
#
# 132 GLN HA 135 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1256,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 GLN HA 135 LEU HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1256,1315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 GLN HA 135 LEU HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1256,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 GLN HA 135 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 132 GLN HA 136 TRP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1256,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 GLN QB 133 ARG HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1258,1259,
&end
#
# 132 GLN QB 136 TRP HD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1258,1259,
&end
#
# 132 GLN QB 136 TRP HE1 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1258,1259,
&end
#
# 132 GLN QG 136 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1261,1262,
&end
#
# 132 GLN HE21 135 LEU QQD 5.00 (#10-26)
&rst
ixpk= 8, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 132 GLN HE22 135 LEU QQD 5.00 (#10-26)
&rst
ixpk= 8, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1320,1321,1322,1324,1325,1326,
&end
#
# 133 ARG HN 133 ARG HD2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1271,1281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HN 133 ARG HD3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1271,1282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HN 134 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 133 ARG HN 135 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1271,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HN 136 TRP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1271,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HA 135 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1273,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HA 136 TRP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1273,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HA 136 TRP HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1273,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HA 136 TRP HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1273,1335, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HA 136 TRP HD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1273,1338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 ARG HB2 134 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 133 ARG HB3 134 VAL QQG 5.00
&rst
ixpk= 8, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1301,1302,1303,1305,1306,1307,
&end
#
# 133 ARG QB 135 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1275,1276,
&end
#
# 134 VAL HN 134 VAL QG2 2.70
&rst
ixpk= 8, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1305,1306,1307,
&end
#
# 134 VAL HN 135 LEU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 134 VAL HN 136 TRP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1295,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 VAL HA 136 TRP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1297,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 VAL HA 137 ARG HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1297,1354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 VAL HA 137 ARG HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1297,1358, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 VAL HA 137 ARG HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1297,1359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 VAL HA 138 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1297,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 VAL HB 135 LEU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1299,1311, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 134 VAL QG1 135 LEU HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1301,1302,1303,
&end
#
# 134 VAL QG1 137 ARG HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1301,1302,1303,
&end
#
# 134 VAL QG1 138 LEU QQD 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1301,1302,1303,
igr2=1387,1388,1389,1391,1392,1393,
&end
#
# 134 VAL QQG 138 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1301,1302,1303,1305,1306,1307,
&end
#
# 134 VAL QQG 138 LEU HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1301,1302,1303,1305,1306,1307,
&end
#
# 134 VAL QQG 138 LEU HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1301,1302,1303,1305,1306,1307,
&end
#
# 135 LEU HN 135 LEU QB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1315,1316,
&end
#
# 135 LEU HN 136 TRP HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1311,1330, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 135 LEU HN 137 ARG HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1311,1354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 LEU HA 138 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1313,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 LEU HA 138 LEU HB2 5.00 (#8-8)
&rst
ixpk= 8, nxpk= 0, iat=1313,1382, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 LEU HA 138 LEU HB3 5.00 (#8-8)
&rst
ixpk= 8, nxpk= 0, iat=1313,1383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP HN 136 TRP HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1330,1334, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 136 TRP HN 137 ARG HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1330,1354, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 136 TRP HA 136 TRP HE3 2.70
&rst
ixpk= 8, nxpk= 0, iat=1332,1349, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 136 TRP HA 139 ILE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1332,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP HA 139 ILE HB 3.30
&rst
ixpk= 8, nxpk= 0, iat=1332,1401, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 136 TRP HA 139 ILE QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1403,1404,1405,
&end
#
# 136 TRP HA 139 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1410,1411,1412,
&end
#
# 136 TRP HA 140 LYS HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1332,1416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP HB2 136 TRP HD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1334,1338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP HB2 136 TRP HE3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1334,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP HB3 136 TRP HD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1335,1338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP HB3 136 TRP HE3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1335,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP QB 137 ARG HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1334,1335,
&end
#
# 136 TRP HE3 139 ILE HB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1349,1401, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP HE3 139 ILE QG2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1403,1404,1405,
&end
#
# 136 TRP HE3 139 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1410,1411,1412,
&end
#
# 136 TRP HZ3 139 ILE HB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1347,1401, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TRP HZ3 139 ILE QG1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1407,1408,
&end
#
# 137 ARG HN 137 ARG HB2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 137 ARG HN 137 ARG HB3 3.30
&rst
ixpk= 8, nxpk= 0, iat=1354,1359, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 137 ARG HN 138 LEU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1354,1378, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 137 ARG HN 139 ILE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1354,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 ARG HA 137 ARG HD2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1356,1364, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 137 ARG HA 137 ARG HD3 3.30
&rst
ixpk= 8, nxpk= 0, iat=1356,1365, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 137 ARG HA 140 LYS HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1356,1416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 ARG HA 140 LYS QB 3.30
&rst
ixpk= 8, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1420,1421,
&end
#
# 138 LEU HN 138 LEU QB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1382,1383,
&end
#
# 138 LEU HN 139 ILE HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1378,1397, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 138 LEU HA 141 GLU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1380,1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 LEU HA 141 GLU HG2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1380,1445, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 LEU HA 141 GLU HG3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1380,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 LEU QB 139 ILE HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1382,1383,
&end
#
# 138 LEU QD1 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1387,1388,1389,
igr2=1466,1467,1468,
&end
#
# 138 LEU QD2 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1391,1392,1393,
igr2=1466,1467,1468,
&end
#
# 139 ILE HN 139 ILE HB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1397,1401, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 139 ILE HN 139 ILE QG1 3.30
&rst
ixpk= 8, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1407,1408,
&end
#
# 139 ILE HN 139 ILE QD1 5.00 (#8-10 )
&rst
ixpk= 8, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1410,1411,1412,
&end
#
# 139 ILE HN 140 LYS HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1397,1416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ILE HN 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 139 ILE HA 139 ILE QG2 2.70
&rst
ixpk= 8, nxpk= 0, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1403,1404,1405,
&end
#
# 139 ILE HA 141 GLU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1399,1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ILE HA 142 ILE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1399,1453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ILE HA 142 ILE HB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1399,1457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ILE HA 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 139 ILE HA 143 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1399,1472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ILE HB 140 LYS HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1401,1416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 139 ILE QG2 140 LYS HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1403,1404,1405,
&end
#
# 139 ILE QD1 140 LYS HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1410,1411,1412,
&end
#
# 140 LYS HN 140 LYS QB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1420,1421,
&end
#
# 140 LYS HN 140 LYS QD 5.00
&rst
ixpk= 8, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1426,1427,
&end
#
# 140 LYS HN 141 GLU HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1416,1438, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 140 LYS HN 142 ILE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1416,1453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 LYS HA 143 CYX HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1418,1472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 140 LYS HA 143 CYX HB2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1418,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 LYS HA 143 CYX HB3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1418,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 LYS HA 144 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1418,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 LYS QB 144 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1420,1421,
&end
#
# 140 LYS QD 141 GLU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1426,1427,
&end
#
# 141 GLU HN 142 ILE HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1438,1453, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 141 GLU HA 143 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1440,1472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 141 GLU HA 144 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1440,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 141 GLU HA 144 SER QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1486,1487,
&end
#
# 141 GLU HA 145 ALA QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1497,1498,1499,
&end
#
# 142 ILE HN 142 ILE HB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1453,1457, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 142 ILE HN 142 ILE QD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1466,1467,1468,
&end
#
# 142 ILE HN 143 CYX HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1453,1472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 142 ILE HN 144 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1453,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 ILE HN 145 ALA QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1497,1498,1499,
&end
#
# 142 ILE HA 142 ILE QG2 2.70
&rst
ixpk= 8, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1459,1460,1461,
&end
#
# 142 ILE HA 144 SER HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1455,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 ILE HA 145 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1455,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 ILE HA 145 ALA QB 3.30
&rst
ixpk= 8, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1497,1498,1499,
&end
#
# 142 ILE HB 143 CYX HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1457,1472, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 142 ILE QG2 143 CYX HN 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1459,1460,1461,
&end
#
# 142 ILE QG2 143 CYX HA 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1459,1460,1461,
&end
#
# 142 ILE QG2 146 LYS HE2 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1459,1460,1461,
&end
#
# 142 ILE QG2 146 LYS HE3 3.30
&rst
ixpk= 8, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1459,1460,1461,
&end
#
# 142 ILE HG12 143 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1463,1472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 ILE HG13 143 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1464,1472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 ILE QD1 143 CYX HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1466,1467,1468,
&end
#
# 142 ILE QD1 146 LYS QE 5.00 (#9-14)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1466,1467,1468,
igr2=1516,1517,
&end
#
# 143 CYX HN 143 CYX QB 2.70 (#9-14 )
&rst
ixpk= 8, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1476,1477,
&end
#
# 143 CYX HN 144 SER HN 3.30 (#9-14 changed from 2.70 )
&rst
ixpk= 8, nxpk= 0, iat=1472,1482, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 143 CYX HN 145 ALA HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1472,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 143 CYX HA 146 LYS QD 3.30
&rst
ixpk= 8, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1513,1514,
&end
#
# 144 SER HN 145 ALA HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1482,1493, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 144 SER HN 145 ALA QB 5.00
&rst
ixpk= 8, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1497,1498,1499,
&end
#
# 144 SER HN 146 LYS HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1482,1503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 145 ALA HN 146 LYS HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1493,1503, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 146 LYS HA 147 HIP HN 2.70 (#9-13 changed from 3.3 )
&rst
ixpk= 8, nxpk= 0, iat=1505,1525, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 147 HIP HN 147 HIP QB 2.7 (#9-13 )
&rst
ixpk= 8, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1529,1530,
&end
#
# 147 HIP HN 151 TRP HZ3 5.00 (#changed from 3.30. 8-11)
&rst
ixpk= 8, nxpk= 0, iat=1525,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 HIP HA 151 TRP HE3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1527,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 HIP HA 151 TRP HZ3 3.30
&rst
ixpk= 8, nxpk= 0, iat=1527,1602, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 147 HIP HA 151 TRP HH2 5.00
&rst
ixpk= 8, nxpk= 0, iat=1527,1600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 HIP HB2 147 HIP HD2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1529,1539, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 147 HIP HB2 151 TRP HE3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1529,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 HIP HB2 151 TRP HZ3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1529,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 HIP HB3 147 HIP HD2 3.30
&rst
ixpk= 8, nxpk= 0, iat=1530,1539, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 147 HIP HB3 151 TRP HE3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1530,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 HIP HB3 151 TRP HZ3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1530,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX HA 149 ASP HN 3.30
&rst
ixpk= 8, nxpk= 0, iat=1545,1553, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 148 CYX HA 150 PHE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1545,1565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX HA 151 TRP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1545,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX HB2 150 PHE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1547,1565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX HB2 150 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1575,1579,
&end
#
# 148 CYX HB2 151 TRP HD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1547,1593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX HB2 151 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1547,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX HB3 150 PHE HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1548,1565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX HB3 150 PHE QE 5.00
&rst
ixpk= 8, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1575,1579,
&end
#
# 148 CYX HB3 151 TRP HD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1548,1593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX HB3 151 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1548,1595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYX QB 151 TRP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1547,1548,
&end
#
# 148 CYX QB 151 TRP HE3 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1547,1548,
&end
#
# 149 ASP HA 151 TRP HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1555,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 150 PHE QE 151 TRP HE1 5.00
&rst
ixpk= 8, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1575,1579,
&end
#
# 151 TRP HN 151 TRP QB 2.70
&rst
ixpk= 8, nxpk= 0, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1589,1590,
&end
#
# 151 TRP HN 151 TRP HD1 5.00
&rst
ixpk= 8, nxpk= 0, iat=1585,1593, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 151 TRP HN 151 TRP HE3 5.00
&rst
ixpk= 8, nxpk= 0, iat=1585,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 151 TRP HA 151 TRP HD1 3.30
&rst
ixpk= 8, nxpk= 0, iat=1587,1593, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 151 TRP HA 151 TRP HD1 2.70
&rst
ixpk= 8, nxpk= 0, iat=1587,1593, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 151 TRP HA 152 LEU HN 2.70
&rst
ixpk= 8, nxpk= 0, iat=1587,1609, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 151 TRP HA 152 LEU HG 5.00
&rst
ixpk= 8, nxpk= 0, iat=1587,1616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 151 TRP HD1 152 LEU HN 5.00
&rst
ixpk= 8, nxpk= 0, iat=1593,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 152 LEU HA 153 GLU HN 2.70
&rst
ixpk= 8, nxpk= 0, iat=1611,1628, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 152 LEU QB 153 GLU HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1613,1614,
&end
#
# 155 GLY HN 155 GLY QA 2.70 (#9-12)
&rst
ixpk= 8, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1669,1670,
&end
#
# 155 GLY QA 156 ALA HN 2.70
&rst
ixpk= 8, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1=1669,1670,
&end
#
# 156 ALA HA 157 ALA HN 2.70
&rst
ixpk= 8, nxpk= 0, iat=1676,1684, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
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