NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
27848 |
2rqc   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 7 GLY QA 8 LEU HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr1= 64, 65,
&end
#
# 8 LEU HA 8 LEU QQD 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 8 LEU HA 9 THR HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 71, 88, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 LEU HN 8 LEU QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 73, 74,
&end
#
# 8 LEU QB 9 THR HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 73, 74,
&end
#
# 9 THR HA 10 GLN HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 90, 102, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 9 THR HA 9 THR QG2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 94, 95, 96,
&end
#
# 9 THR HB 10 GLN HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 92, 102, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 THR HN 9 THR HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 88, 90, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 9 THR HN 9 THR HB 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 88, 92, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 THR HN 9 THR QG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 94, 95, 96,
&end
#
# 9 THR QG2 51 ASN HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 4.50, r2= 5.00, r3=120.09, r4=120.59,
igr1= 94, 95, 96,
&end
#
# 9 THR QG2 51 ASN HB3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 4.50, r2= 5.00, r3=120.09, r4=120.59,
igr1= 94, 95, 96,
&end
#
# 10 GLN HA 10 GLN QG 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 109, 110,
&end
#
# 10 GLN HA 11 GLN HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 104, 119, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 10 GLN HA 51 ASN HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 104, 715, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 10 GLN HA 51 ASN HB3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 104, 716, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 10 GLN HB2 11 GLN HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 106, 119, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 10 GLN HB3 11 GLN HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 107, 119, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 10 GLN HN 10 GLN HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 102, 106, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 10 GLN HN 10 GLN HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 102, 107, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 10 GLN HN 10 GLN QG 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 109, 110,
&end
#
# 10 GLN QB 11 GLN HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 106, 107,
&end
#
# 10 GLN QG 11 GLN HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 109, 110,
&end
#
# 11 GLN HE21 15 ALA QB 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 177, 178, 179,
&end
#
# 11 GLN HE22 15 ALA QB 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 177, 178, 179,
&end
#
# 11 GLN HN 11 GLN QG 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 126, 127,
&end
#
# 11 GLN QE2 15 ALA QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 131, 132,
igr2= 177, 178, 179,
&end
#
# 11 GLN QE2 52 VAL HB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 131, 132,
&end
#
# 11 GLN QE2 52 VAL HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 131, 132,
&end
#
# 11 GLN QG 11 GLN QE2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 126, 127,
igr2= 131, 132,
&end
#
# 12 SER HA 12 SER QB 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 140, 141,
&end
#
# 12 SER HA 13 ILE HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 12 SER HA 13 ILE QG1 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 157, 158,
&end
#
# 12 SER HN 12 SER HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 136, 138, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 12 SER HN 12 SER QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 140, 141,
&end
#
# 12 SER HN 13 ILE HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 136, 147, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 12 SER QB 13 ILE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 140, 141,
&end
#
# 13 ILE HA 13 ILE HG12 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 149, 157, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 13 ILE HA 13 ILE HG13 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 149, 158, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 13 ILE HA 13 ILE QD1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 160, 161, 162,
&end
#
# 13 ILE HA 13 ILE QG1 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 157, 158,
&end
#
# 13 ILE HA 13 ILE QG2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 153, 154, 155,
&end
#
# 13 ILE HA 14 GLY HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 149, 166, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 13 ILE HA 15 ALA HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 149, 173, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 13 ILE HB 13 ILE QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 160, 161, 162,
&end
#
# 13 ILE HB 14 GLY HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 151, 166, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 13 ILE HN 13 ILE HB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 147, 151, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 13 ILE HN 13 ILE HG12 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 147, 157, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 13 ILE HN 13 ILE HG13 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 147, 158, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 13 ILE HN 13 ILE QG2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 153, 154, 155,
&end
#
# 13 ILE HN 14 GLY HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 147, 166, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 13 ILE QG2 13 ILE HG12 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 153, 154, 155,
&end
#
# 13 ILE QG2 13 ILE HG13 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 153, 154, 155,
&end
#
# 13 ILE QG2 13 ILE QG1 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 153, 154, 155,
igr2= 157, 158,
&end
#
# 13 ILE QG2 14 GLY HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 153, 154, 155,
&end
#
# 13 ILE QG2 14 GLY QA 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 153, 154, 155,
igr2= 168, 169,
&end
#
# 14 GLY HA2 15 ALA QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 177, 178, 179,
&end
#
# 14 GLY HA3 15 ALA QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 177, 178, 179,
&end
#
# 14 GLY HN 15 ALA HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 166, 173, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 14 GLY HN 15 ALA QB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 177, 178, 179,
&end
#
# 14 GLY HN 16 ALA HN 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 166, 183, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 14 GLY QA 16 ALA HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 168, 169,
&end
#
# 15 ALA HA 18 SER HB2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 175, 204, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 15 ALA HA 18 SER HB3 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 175, 205, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 15 ALA HA 18 SER QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 204, 205,
&end
#
# 15 ALA HA 54 SER HA 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 175, 759, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 15 ALA HN 15 ALA QB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 177, 178, 179,
&end
#
# 15 ALA HN 16 ALA HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 173, 183, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 15 ALA QB 16 ALA HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 16 ALA HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 43 LEU HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 43 LEU HB3 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 43 LEU QD1 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 177, 178, 179,
igr2= 589, 590, 591,
&end
#
# 15 ALA QB 43 LEU QD2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 177, 178, 179,
igr2= 593, 594, 595,
&end
#
# 15 ALA QB 52 VAL HB 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 52 VAL QG1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 177, 178, 179,
igr2= 731, 732, 733,
&end
#
# 15 ALA QB 54 SER HA 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 55 ALA HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 177, 178, 179,
&end
#
# 16 ALA HA 17 GLY HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 185, 193, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 16 ALA HA 18 SER HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 185, 200, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 16 ALA HA 39 ASP- HB2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 185, 524, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 16 ALA HA 39 ASP- HB3 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 185, 525, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 16 ALA HA 39 ASP- QB 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 524, 525,
&end
#
# 16 ALA HA 40 GLN HA 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 185, 534, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 16 ALA HA 43 LEU HB2 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 185, 584, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 16 ALA HA 43 LEU HB3 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 185, 585, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 16 ALA HA 43 LEU QD2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 593, 594, 595,
&end
#
# 16 ALA HA 54 SER HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 185, 759, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 16 ALA HA 55 ALA HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 185, 768, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 16 ALA HA 55 ALA QB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 772, 773, 774,
&end
#
# 16 ALA HN 16 ALA QB 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 187, 188, 189,
&end
#
# 16 ALA HN 17 GLY HN 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 183, 193, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 16 ALA HN 18 SER HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 183, 200, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 ALA HN 43 LEU QD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 593, 594, 595,
&end
#
# 16 ALA QB 17 GLY HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 17 GLY QA 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 187, 188, 189,
igr2= 195, 196,
&end
#
# 16 ALA QB 18 SER HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 39 ASP- HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 39 ASP- HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 40 GLN HA 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 40 GLN HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 40 GLN QB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 187, 188, 189,
igr2= 536, 537,
&end
#
# 16 ALA QB 40 GLN QE2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 187, 188, 189,
igr2= 544, 545,
&end
#
# 16 ALA QB 40 GLN QG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 187, 188, 189,
igr2= 539, 540,
&end
#
# 16 ALA QB 43 LEU HB3 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 187, 188, 189,
&end
#
# 17 GLY HN 18 SER HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 193, 200, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 17 GLY HN 39 ASP- QB 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 524, 525,
&end
#
# 17 GLY HN 55 ALA HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 193, 768, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 17 GLY QA 39 ASP- QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 195, 196,
igr2= 524, 525,
&end
#
# 18 SER HA 19 GLN HN 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 202, 211, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 18 SER HA 20 LYS+ HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 202, 228, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 18 SER HB2 19 GLN HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 204, 211, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 18 SER HB2 20 LYS+ HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 204, 228, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 18 SER HB3 19 GLN HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 205, 211, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 18 SER HB3 20 LYS+ HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 205, 228, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 18 SER HN 18 SER HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 200, 204, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 18 SER HN 18 SER HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 200, 205, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 18 SER HN 18 SER QB 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 204, 205,
&end
#
# 18 SER HN 55 ALA HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 200, 768, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 18 SER QB 20 LYS+ HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 204, 205,
&end
#
# 19 GLN HA 19 GLN QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 218, 219,
&end
#
# 19 GLN HN 19 GLN HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 211, 213, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 19 GLN HN 19 GLN HB2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 211, 215, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 GLN HN 19 GLN HB3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 211, 216, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 19 GLN HN 19 GLN QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 215, 216,
&end
#
# 19 GLN HN 19 GLN QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 218, 219,
&end
#
# 19 GLN HN 20 LYS+ HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 211, 228, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 20 LYS+ HA 20 LYS+ HG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 20 LYS+ HA 20 LYS+ HG3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 230, 236, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 20 LYS+ HA 20 LYS+ QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 235, 236,
&end
#
# 20 LYS+ HA 21 GLU- HG2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 230, 257, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 20 LYS+ HA 21 GLU- HG3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 230, 258, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 20 LYS+ HA 21 GLU- HN 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 230, 250, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 20 LYS+ HD2 53 VAL QG1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ HD3 53 VAL QG1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ HG2 21 GLU- HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 235, 250, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 20 LYS+ HG2 53 VAL QG1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ HG3 21 GLU- HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 236, 250, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 20 LYS+ HG3 53 VAL QG1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ HN 20 LYS+ HG2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 20 LYS+ HN 20 LYS+ HG3 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 228, 236, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 20 LYS+ HN 20 LYS+ QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 232, 233,
&end
#
# 20 LYS+ HN 54 SER HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 228, 761, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 20 LYS+ HN 54 SER HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 228, 762, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 20 LYS+ HN 54 SER HG 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 228, 764, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 20 LYS+ HN 54 SER QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 761, 762,
&end
#
# 20 LYS+ QB 20 LYS+ QE 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 232, 233,
igr2= 241, 242,
&end
#
# 20 LYS+ QB 21 GLU- HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 232, 233,
&end
#
# 20 LYS+ QB 53 VAL QG1 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 232, 233,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ QB 54 SER HB2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 232, 233,
&end
#
# 20 LYS+ QB 54 SER HB3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 232, 233,
&end
#
# 20 LYS+ QB 54 SER QB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 232, 233,
igr2= 761, 762,
&end
#
# 20 LYS+ QD 53 VAL QG1 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 238, 239,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ QE 53 VAL QG1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 241, 242,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ QG 21 GLU- HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 235, 236,
&end
#
# 20 LYS+ QG 53 VAL QG1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 235, 236,
igr2= 747, 748, 749,
&end
#
# 21 GLU- HA 21 GLU- QG 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 257, 258,
&end
#
# 21 GLU- HA 22 GLY HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 252, 265, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 21 GLU- HA 73 SER HG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 252,1067, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 21 GLU- HA 73 SER QB 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1064,1065,
&end
#
# 21 GLU- HB2 22 GLY HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 254, 265, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 21 GLU- HB3 22 GLY HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 255, 265, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 21 GLU- HN 21 GLU- HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 250, 254, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 21 GLU- HN 21 GLU- HB3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 250, 255, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 21 GLU- HN 21 GLU- HG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 21 GLU- HN 21 GLU- HG3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 250, 258, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 21 GLU- HN 21 GLU- QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 254, 255,
&end
#
# 21 GLU- HN 21 GLU- QG 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 257, 258,
&end
#
# 21 GLU- QB 22 GLY HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 254, 255,
&end
#
# 21 GLU- QB 27 ASN QD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 254, 255,
igr2= 327, 328,
&end
#
# 21 GLU- QG 22 GLY HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 257, 258,
&end
#
# 22 GLY HA2 23 PROO HD2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 267, 273, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 22 GLY HA2 23 PROO HD3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 22 GLY HA2 26 ALA QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 312, 313, 314,
&end
#
# 22 GLY HA2 53 VAL QG1 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 747, 748, 749,
&end
#
# 22 GLY HA2 53 VAL QG2 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 751, 752, 753,
&end
#
# 22 GLY HA3 23 PROO HD2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 22 GLY HA3 23 PROO HD3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 268, 274, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 22 GLY HA3 26 ALA QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 312, 313, 314,
&end
#
# 22 GLY HA3 53 VAL QG1 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 747, 748, 749,
&end
#
# 22 GLY HA3 53 VAL QG2 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 751, 752, 753,
&end
#
# 22 GLY HN 27 ASN QD2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 327, 328,
&end
#
# 22 GLY HN 73 SER HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 265,1064, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 22 GLY HN 73 SER HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 265,1065, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 22 GLY HN 73 SER HG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 265,1067, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 22 GLY HN 73 SER QB 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1064,1065,
&end
#
# 22 GLY QA 23 PROO QD 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 267, 268,
igr2= 273, 274,
&end
#
# 22 GLY QA 26 ALA QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 267, 268,
igr2= 312, 313, 314,
&end
#
# 22 GLY QA 53 VAL QG1 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 267, 268,
igr2= 747, 748, 749,
&end
#
# 22 GLY QA 73 SER QB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 267, 268,
igr2=1064,1065,
&end
#
# 22 GLY QA 75 ASP- HA 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 267, 268,
&end
#
# 23 PROO HA 23 PROO QG 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 276, 277,
&end
#
# 23 PROO HA 24 GLU- HB2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 282, 290, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 23 PROO HA 24 GLU- HB3 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 282, 291, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 23 PROO HA 24 GLU- HN 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 23 PROO HA 24 GLU- QB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 290, 291,
&end
#
# 23 PROO HB2 24 GLU- HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 279, 286, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 23 PROO HB3 24 GLU- HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 280, 286, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 23 PROO HD2 23 PROO HG2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 273, 276, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 23 PROO HD2 23 PROO HG3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 23 PROO HD2 26 ALA QB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 312, 313, 314,
&end
#
# 23 PROO HD2 75 ASP- HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 273,1094, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 23 PROO HD3 23 PROO HG2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 274, 276, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 23 PROO HD3 23 PROO HG3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 274, 277, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 23 PROO HD3 26 ALA QB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 312, 313, 314,
&end
#
# 23 PROO HD3 75 ASP- HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 274,1094, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 23 PROO HG2 26 ALA QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 312, 313, 314,
&end
#
# 23 PROO HG2 76 ASN HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 276,1106, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 23 PROO HG3 26 ALA QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 312, 313, 314,
&end
#
# 23 PROO HG3 76 ASN HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 277,1106, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 23 PROO QB 24 GLU- HN 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 279, 280,
&end
#
# 23 PROO QB 26 ALA QB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 279, 280,
igr2= 312, 313, 314,
&end
#
# 23 PROO QD 23 PROO QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 273, 274,
igr2= 279, 280,
&end
#
# 23 PROO QD 23 PROO QG 1.80 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 273, 274,
igr2= 276, 277,
&end
#
# 23 PROO QD 26 ALA QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 273, 274,
igr2= 312, 313, 314,
&end
#
# 23 PROO QD 53 VAL QG2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 273, 274,
igr2= 751, 752, 753,
&end
#
# 23 PROO QD 75 ASP- HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 273, 274,
&end
#
# 23 PROO QG 26 ALA QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 276, 277,
igr2= 312, 313, 314,
&end
#
# 23 PROO QG 76 ASN HA 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 276, 277,
&end
#
# 23 PROO QG 77 PROO QD 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 276, 277,
igr2=1119,1120,
&end
#
# 24 GLU- HA 24 GLU- QG 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 293, 294,
&end
#
# 24 GLU HA 25 GLY HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 301, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 24 GLU- HA 25 GLY HN 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 288, 301, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 24 GLU- HA 26 ALA HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 288, 308, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 24 GLU- HA 26 ALA QB 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 312, 313, 314,
&end
#
# 24 GLU- HB2 25 GLY HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 290, 301, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 24 GLU- HB3 25 GLY HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 291, 301, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 24 GLU HN 24 GLU HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 286, 288, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 24 GLU- HN 24 GLU- HB2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 286, 290, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 24 GLU- HN 24 GLU- HB3 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 24 GLU- HN 24 GLU- QB 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 290, 291,
&end
#
# 24 GLU- HN 24 GLU- QG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 293, 294,
&end
#
# 24 GLU- QG 25 GLY HA2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 293, 294,
&end
#
# 24 GLU- QG 25 GLY HA3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 293, 294,
&end
#
# 24 GLU- QG 25 GLY HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 293, 294,
&end
#
# 25 GLY HA2 101 LEU QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1500,1501,1502,
&end
#
# 25 GLY HA2 101 LEU QD2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1504,1505,1506,
&end
#
# 25 GLY HA3 101 LEU QD1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1500,1501,1502,
&end
#
# 25 GLY HA3 101 LEU QD2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1504,1505,1506,
&end
#
# 25 GLY HA3 77 PROO HB3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 304,1126, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 26 ALA HA 77 PROO HA 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 310,1128, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 26 ALA HA 80 ALA QB 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1163,1164,1165,
&end
#
# 26 ALA HN 26 ALA QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 312, 313, 314,
&end
#
# 26 ALA HN 27 ASN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 308, 318, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 ALA HN 27 ASN QD2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 327, 328,
&end
#
# 26 ALA HN 77 PROO HA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 308,1128, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 26 ALA QB 74 TYR HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 74 TYR QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 312, 313, 314,
igr2=1075,1076,
&end
#
# 26 ALA QB 74 TYR QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 312, 313, 314,
igr2=1079,1088,
&end
#
# 26 ALA QB 76 ASN HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 76 ASN HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 77 PROO HA 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 77 PROO HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 77 PROO QD 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 312, 313, 314,
igr2=1119,1120,
&end
#
# 26 ALA QB 80 ALA QB 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 312, 313, 314,
igr2=1163,1164,1165,
&end
#
# 27 ASN HA 73 SER HA 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 320,1062, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 27 ASN HA 74 TYR HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 320,1071, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 27 ASN HD21 102 LYS+ QE 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1523,1524,
&end
#
# 27 ASN HD22 102 LYS+ QE 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1523,1524,
&end
#
# 27 ASN HN 27 ASN QB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 322, 323,
&end
#
# 27 ASN QB 102 LYS+ QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 322, 323,
igr2=1514,1515,
&end
#
# 27 ASN QB 102 LYS+ QD 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 322, 323,
igr2=1520,1521,
&end
#
# 27 ASN QB 102 LYS+ QG 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 322, 323,
igr2=1517,1518,
&end
#
# 27 ASN QD2 102 LYS+ QE 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 327, 328,
igr2=1523,1524,
&end
#
# 28 LEU HA 101 LEU HA 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 334,1493, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 28 LEU HA 102 LYS+ HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 334,1510, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 28 LEU HA 28 LEU HG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 28 LEU HA 28 LEU QD2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 345, 346, 347,
&end
#
# 28 LEU HA 29 PHE HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 334, 351, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 28 LEU HB2 29 PHE HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 LEU HB2 30 ILE QD1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 384, 385, 386,
&end
#
# 28 LEU HB3 29 PHE HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 337, 351, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 LEU HB3 30 ILE QD1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 384, 385, 386,
&end
#
# 28 LEU HG 74 TYR QD 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1079,1088,
&end
#
# 28 LEU HG 74 TYR QE 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1081,1086,
&end
#
# 28 LEU HN 28 LEU HG 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 28 LEU HN 28 LEU QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 341, 342, 343,
&end
#
# 28 LEU HN 71 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 332,1026, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU HN 72 VAL HB 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= 332,1048, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 28 LEU HN 72 VAL HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 332,1044, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 28 LEU HN 73 SER HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 332,1062, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 28 LEU QB 29 PHE HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 336, 337,
&end
#
# 28 LEU QB 46 PHE QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 336, 337,
igr2= 643, 647,
&end
#
# 28 LEU QB 72 VAL HB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 336, 337,
&end
#
# 28 LEU QB 72 VAL HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 336, 337,
&end
#
# 28 LEU QD1 30 ILE QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 341, 342, 343,
igr2= 384, 385, 386,
&end
#
# 28 LEU QD1 46 PHE QD 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 341, 342, 343,
igr2= 641, 649,
&end
#
# 28 LEU QD1 46 PHE QE 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 341, 342, 343,
igr2= 643, 647,
&end
#
# 28 LEU QD1 72 VAL HB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 341, 342, 343,
&end
#
# 28 LEU QD1 72 VAL QG1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 341, 342, 343,
igr2=1050,1051,1052,
&end
#
# 28 LEU QD1 74 TYR QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 341, 342, 343,
igr2=1079,1088,
&end
#
# 28 LEU QD1 74 TYR QE 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 341, 342, 343,
igr2=1081,1086,
&end
#
# 28 LEU QD1 80 ALA HA 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 341, 342, 343,
&end
#
# 28 LEU QD1 83 ALA HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 341, 342, 343,
&end
#
# 28 LEU QD1 83 ALA QB 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 341, 342, 343,
igr2=1200,1201,1202,
&end
#
# 28 LEU QD2 101 LEU HA 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 101 LEU HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 29 PHE HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 74 TYR QD 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 345, 346, 347,
igr2=1079,1088,
&end
#
# 28 LEU QD2 80 ALA HA 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 80 ALA QB 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 345, 346, 347,
igr2=1163,1164,1165,
&end
#
# 28 LEU QD2 84 ILE HG13 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 345, 346, 347,
&end
#
# 29 PHE HA 71 PHE HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 353,1026, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 29 PHE HA 72 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 353,1044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PHE HB2 102 LYS+ HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 355,1512, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 PHE HB3 102 LYS+ HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 356,1512, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 PHE HN 100 GLN HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 351,1474, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 29 PHE HN 101 LEU HA 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 351,1493, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 29 PHE HN 102 LYS+ HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 351,1510, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 29 PHE HN 29 PHE HB2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 351, 355, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 29 PHE HN 29 PHE HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 351, 356, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 29 PHE HN 29 PHE QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 355, 356,
&end
#
# 29 PHE HN 29 PHE QD 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 359, 367,
&end
#
# 29 PHE QB 102 LYS+ HA 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 355, 356,
&end
#
# 29 PHE QB 102 LYS+ QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 355, 356,
igr2=1514,1515,
&end
#
# 29 PHE QD 100 GLN QG 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 359, 367,
igr2=1481,1482,
&end
#
# 29 PHE QE 31 TYR QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 361, 365,
igr2= 394, 395,
&end
#
# 30 ILE HA 100 GLN HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 373,1474, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 30 ILE HA 30 ILE QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 384, 385, 386,
&end
#
# 30 ILE HA 30 ILE QG1 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 381, 382,
&end
#
# 30 ILE HA 30 ILE QG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 377, 378, 379,
&end
#
# 30 ILE HA 99 VAL HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 373,1460, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 ILE HA 99 VAL QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1468,1469,1470,
&end
#
# 30 ILE HB 30 ILE QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 384, 385, 386,
&end
#
# 30 ILE HB 70 GLY HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 375,1017, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 30 ILE HN 30 ILE HB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 371, 375, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 30 ILE HN 30 ILE HG12 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 371, 381, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 30 ILE HN 30 ILE HG13 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 371, 382, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 30 ILE HN 30 ILE QD1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 384, 385, 386,
&end
#
# 30 ILE HN 30 ILE QG1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 381, 382,
&end
#
# 30 ILE HN 30 ILE QG2 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 377, 378, 379,
&end
#
# 30 ILE HN 70 GLY HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 371,1017, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 30 ILE HN 71 PHE HA 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 371,1026, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 30 ILE HN 99 VAL QG1 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1464,1465,1466,
&end
#
# 30 ILE QD1 42 LEU QD1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 384, 385, 386,
igr2= 570, 571, 572,
&end
#
# 30 ILE QD1 42 LEU QD2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 384, 385, 386,
igr2= 574, 575, 576,
&end
#
# 30 ILE QD1 46 PHE HZ 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 384, 385, 386,
&end
#
# 30 ILE QD1 46 PHE QE 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 384, 385, 386,
igr2= 643, 647,
&end
#
# 30 ILE QD1 71 PHE HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 384, 385, 386,
&end
#
# 30 ILE QD1 72 VAL HB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 384, 385, 386,
&end
#
# 30 ILE QD1 72 VAL HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 384, 385, 386,
&end
#
# 30 ILE QG1 46 PHE HZ 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 381, 382,
&end
#
# 30 ILE QG1 46 PHE QE 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 381, 382,
igr2= 643, 647,
&end
#
# 30 ILE QG2 30 ILE HG12 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 30 ILE HG13 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 31 TYR HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 46 PHE HZ 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 46 PHE QE 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 377, 378, 379,
igr2= 643, 647,
&end
#
# 30 ILE QG2 70 GLY HN 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 97 LEU HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 98 LYS+ HN 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 99 VAL QG2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 377, 378, 379,
igr2=1468,1469,1470,
&end
#
# 31 TYR HA 31 TYR QD 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 398, 407,
&end
#
# 31 TYR HA 69 PHE HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 392, 999, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 31 TYR HA 69 PHE QB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1001,1002,
&end
#
# 31 TYR HA 70 GLY HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 392,1017, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 31 TYR HN 98 LYS+ HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 390,1436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 TYR HN 98 LYS+ QB 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1440,1441,
&end
#
# 31 TYR HN 99 VAL HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390,1460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 TYR QD 69 PHE HB2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 398, 407,
&end
#
# 31 TYR QD 69 PHE HB3 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 398, 407,
&end
#
# 31 TYR QD 69 PHE QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 398, 407,
igr2=1001,1002,
&end
#
# 31 TYR QE 32 HIS HE1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 400, 405,
&end
#
# 31 TYR QE 69 PHE QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 400, 405,
igr2=1005,1013,
&end
#
# 32 HIS HB2 97 LEU HA 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 415,1419, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 32 HIS HB2 98 LYS+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 415,1436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 32 HIS HB3 95 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 416,1381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 HIS HB3 95 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 416,1382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 HIS HB3 95 LYS+ QB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1375,1376,
&end
#
# 32 HIS HB3 95 LYS+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1378,1379,
&end
#
# 32 HIS HB3 97 LEU HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 416,1419, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 32 HIS HB3 97 LEU QD2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1430,1431,1432,
&end
#
# 32 HIS HB3 98 LYS+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1440,1441,
&end
#
# 32 HIS HD2 98 LYS+ HN 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 424,1436, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 32 HIS HD2 98 LYS+ QB 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1440,1441,
&end
#
# 32 HIS HD2 98 LYS QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1449,1450,
&end
#
# 32 HIS HD2 98 LYS+ QG 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1443,1444,
&end
#
# 32 HIS HN 33 LEU HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 32 HIS HN 69 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 411, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LEU HA 33 LEU QD1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 437, 438, 439,
&end
#
# 33 LEU HA 33 LEU QD2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 441, 442, 443,
&end
#
# 33 LEU HA 34 PROO HD2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 430, 448, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 33 LEU HA 34 PROO HD3 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 430, 449, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 33 LEU HA 34 PROO QD 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 448, 449,
&end
#
# 33 LEU HA 92 ILE QD1 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1341,1342,1343,
&end
#
# 33 LEU HB2 69 PHE HA 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 432, 999, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 33 LEU HB3 69 PHE HA 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 999, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 33 LEU HG 69 PHE HA 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 435, 999, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 33 LEU HN 33 LEU HG 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 33 LEU HN 33 LEU QD1 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 437, 438, 439,
&end
#
# 33 LEU HN 68 CYS HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 428, 988, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 33 LEU HN 68 CYS HB2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 428, 990, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 33 LEU HN 68 CYS HB3 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 428, 991, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 33 LEU QB 34 PROO QD 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 432, 433,
igr2= 448, 449,
&end
#
# 33 LEU QB 37 PHE HB2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 432, 433,
&end
#
# 33 LEU QB 68 CYS HA 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 432, 433,
&end
#
# 33 LEU QD1 37 PHE HB2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 37 PHE HB3 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 37 PHE QD 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 437, 438, 439,
igr2= 501, 509,
&end
#
# 33 LEU QD1 57 VAL HA 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 57 VAL QG1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 437, 438, 439,
igr2= 806, 807, 808,
&end
#
# 33 LEU QD1 57 VAL QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 437, 438, 439,
igr2= 810, 811, 812,
&end
#
# 33 LEU QD1 68 CYS HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 69 PHE HA 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 69 PHE HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 70 GLY HA3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 70 GLY HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD2 34 PROO HD2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 441, 442, 443,
&end
#
# 33 LEU QD2 34 PROO HD3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 441, 442, 443,
&end
#
# 33 LEU QD2 37 PHE HB2 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 441, 442, 443,
&end
#
# 33 LEU QD2 37 PHE QD 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 441, 442, 443,
igr2= 501, 509,
&end
#
# 33 LEU QD2 37 PHE QE 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 441, 442, 443,
igr2= 503, 507,
&end
#
# 33 LEU QD2 45 MET QE 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 441, 442, 443,
igr2= 627, 628, 629,
&end
#
# 34 PROO HA 34 PROO HG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 457, 451, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 34 PROO HA 34 PROO HG3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 457, 452, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 34 PROO HA 95 LYS HE2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 457,1384, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 PROO HA 95 LYS+ QE 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1384,1385,
&end
#
# 34 PROO HB2 35 GLN HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 454, 461, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 34 PROO HB3 35 GLN HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 455, 461, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 34 PROO HD2 34 PROO HG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 448, 451, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 PROO HD2 34 PROO HG3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 PROO HD2 92 ILE QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1341,1342,1343,
&end
#
# 34 PROO HD3 34 PROO HG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 449, 451, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 PROO HD3 34 PROO HG3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 449, 452, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 34 PROO HD3 92 ILE QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1341,1342,1343,
&end
#
# 34 PROO HG2 92 ILE QG2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1334,1335,1336,
&end
#
# 34 PROO HG3 92 ILE QG2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1334,1335,1336,
&end
#
# 34 PROO QB 35 GLN HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 454, 455,
&end
#
# 34 PROO QB 36 GLU- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 454, 455,
&end
#
# 34 PROO QB 37 PHE HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 454, 455,
&end
#
# 34 PROO QB 37 PHE QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 454, 455,
igr2= 501, 509,
&end
#
# 34 PROO QD 34 PROO QB 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 448, 449,
igr2= 454, 455,
&end
#
# 34 PROO QD 34 PROO QG 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 448, 449,
igr2= 451, 452,
&end
#
# 34 PROO QD 37 PHE QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 448, 449,
igr2= 501, 509,
&end
#
# 34 PROO QD 92 ILE QD1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 448, 449,
igr2=1341,1342,1343,
&end
#
# 34 PROO QD 92 ILE QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 448, 449,
igr2=1334,1335,1336,
&end
#
# 34 PROO QG 37 PHE QE 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 451, 452,
igr2= 503, 507,
&end
#
# 34 PROO QG 92 ILE QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 451, 452,
igr2=1341,1342,1343,
&end
#
# 34 PROO QG 92 ILE QG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 451, 452,
igr2=1334,1335,1336,
&end
#
# 35 GLN HA 35 GLN HG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 463, 468, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 35 GLN HA 35 GLN HG3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 463, 469, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 35 GLN HA 37 PHE HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 463, 493, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 35 GLN HN 35 GLN HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 35 GLN HN 35 GLN HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 35 GLN HN 35 GLN HG2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 461, 468, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 35 GLN HN 35 GLN HG3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 35 GLN HN 35 GLN QG 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 468, 469,
&end
#
# 35 GLN QB 36 GLU- HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 465, 466,
&end
#
# 35 GLN QG 35 GLN QE2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 468, 469,
igr2= 473, 474,
&end
#
# 36 GLU- HA 36 GLU- QG 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 485, 486,
&end
#
# 36 GLU- HN 36 GLU- HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 478, 482, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 36 GLU- HN 36 GLU- HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 36 GLU- HN 36 GLU- QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 482, 483,
&end
#
# 36 GLU- HN 36 GLU- QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 485, 486,
&end
#
# 36 GLU- HN 37 PHE HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 478, 493, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 36 GLU- QG 37 PHE HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 485, 486,
&end
#
# 36 GLU- QG 37 PHE QD 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 485, 486,
igr2= 501, 509,
&end
#
# 37 PHE HA 37 PHE QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 501, 509,
&end
#
# 37 PHE HA 38 GLY HN 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 495, 513, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 37 PHE HA 41 ASP- HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 495, 553, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 37 PHE HA 41 ASP- HB3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 495, 554, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 37 PHE HB2 38 GLY HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 497, 513, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 37 PHE HB3 38 GLY HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 37 PHE HB3 41 ASP- HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 498, 553, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 37 PHE HB3 57 VAL QG2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 810, 811, 812,
&end
#
# 37 PHE HN 37 PHE HB2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 37 PHE HN 37 PHE HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 37 PHE HN 37 PHE QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 501, 509,
&end
#
# 37 PHE HZ 45 MET QE 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 627, 628, 629,
&end
#
# 37 PHE HZ 92 ILE QD1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1341,1342,1343,
&end
#
# 37 PHE QD 38 GLY HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 501, 509,
&end
#
# 37 PHE QD 41 ASP- HB2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 501, 509,
&end
#
# 37 PHE QD 41 ASP- HB3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 501, 509,
&end
#
# 37 PHE QD 42 LEU HA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 501, 509,
&end
#
# 37 PHE QD 42 LEU HB2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 501, 509,
&end
#
# 37 PHE QD 42 LEU QD1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 501, 509,
igr2= 570, 571, 572,
&end
#
# 37 PHE QE 41 ASP- HB3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 503, 507,
&end
#
# 37 PHE QE 42 LEU HA 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 503, 507,
&end
#
# 37 PHE QE 42 LEU QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 503, 507,
igr2= 570, 571, 572,
&end
#
# 37 PHE QE 45 MET QB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 503, 507,
igr2= 620, 621,
&end
#
# 37 PHE QE 45 MET QE 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 503, 507,
igr2= 627, 628, 629,
&end
#
# 37 PHE QE 92 ILE QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 503, 507,
igr2=1341,1342,1343,
&end
#
# 38 GLY HA2 57 VAL HB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 515, 804, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 38 GLY HA2 57 VAL QG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 810, 811, 812,
&end
#
# 38 GLY HA3 40 GLN HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 516, 532, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 38 GLY HA3 41 ASP- HB2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 516, 553, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 38 GLY HA3 57 VAL QG2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 810, 811, 812,
&end
#
# 38 GLY HN 41 ASP- HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 513, 553, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 38 GLY HN 41 ASP- HB3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 513, 554, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 38 GLY HN 41 ASP- HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 513, 549, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 38 GLY HN 42 LEU HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 513, 561, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 39 ASP- HA 42 LEU HB2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 522, 565, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 39 ASP- HA 42 LEU HB3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 522, 566, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 ASP- HA 43 LEU HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 522, 580, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 39 ASP- HA 57 VAL HB 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 522, 804, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 39 ASP- HA 57 VAL QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 810, 811, 812,
&end
#
# 39 ASP- HB2 40 GLN HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 524, 532, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 39 ASP- HB3 40 GLN HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 525, 532, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 39 ASP- HN 39 ASP- QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 524, 525,
&end
#
# 39 ASP- HN 40 GLN HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 520, 532, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 39 ASP- HN 57 VAL QG2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 810, 811, 812,
&end
#
# 39 ASP- QB 40 GLN HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 524, 525,
&end
#
# 40 GLN HA 40 GLN QG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 539, 540,
&end
#
# 40 GLN HA 43 LEU HB2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 534, 584, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 40 GLN HA 43 LEU HB3 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 534, 585, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 40 GLN HA 43 LEU HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 534, 580, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 40 GLN HA 43 LEU QD2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 593, 594, 595,
&end
#
# 40 GLN HB2 41 ASP- HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 536, 549, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 40 GLN HB3 41 ASP- HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 537, 549, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 40 GLN HN 40 GLN HB2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 532, 536, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 GLN HN 40 GLN HB3 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 532, 537, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 GLN HN 40 GLN QB 1.80 2.75
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2= 536, 537,
&end
#
# 40 GLN HN 40 GLN QG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 539, 540,
&end
#
# 40 GLN HN 41 ASP- HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 40 GLN QB 41 ASP- HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 536, 537,
&end
#
# 40 GLN QE2 43 LEU QD2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 544, 545,
igr2= 593, 594, 595,
&end
#
# 40 GLN QG 43 LEU QD2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 539, 540,
igr2= 593, 594, 595,
&end
#
# 41 ASP HA 44 GLN HG2 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 551, 606, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 41 ASP HA 44 GLN HG3 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 551, 607, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 41 ASP- HA 44 GLN HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 551, 599, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 41 ASP- HA 44 GLN QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 603, 604,
&end
#
# 41 ASP HA 45 MET HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 551, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 ASP- HB2 42 LEU HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 553, 561, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 41 ASP- HB3 42 LEU HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 554, 561, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 41 ASP- HN 41 ASP- HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 549, 553, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 41 ASP- HN 41 ASP- HB3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 549, 554, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 41 ASP- HN 42 LEU HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 549, 561, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 42 LEU HA 42 LEU HG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 42 LEU HA 42 LEU QD1 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 570, 571, 572,
&end
#
# 42 LEU HA 42 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 574, 575, 576,
&end
#
# 42 LEU HA 45 MET HB2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 563, 620, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 42 LEU HA 45 MET HB3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 563, 621, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 42 LEU HA 45 MET HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 563, 616, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 42 LEU HA 45 MET QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 620, 621,
&end
#
# 42 LEU HA 45 MET QE 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 627, 628, 629,
&end
#
# 42 LEU HA 46 PHE HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 563, 633, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 42 LEU HA 46 PHE QD 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 641, 649,
&end
#
# 42 LEU HA 46 PHE QE 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 643, 647,
&end
#
# 42 LEU HB2 42 LEU QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 570, 571, 572,
&end
#
# 42 LEU HB2 42 LEU QD2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 574, 575, 576,
&end
#
# 42 LEU HB2 43 LEU HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 42 LEU HB2 57 VAL QG2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 810, 811, 812,
&end
#
# 42 LEU HB3 42 LEU QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 570, 571, 572,
&end
#
# 42 LEU HB3 42 LEU QD2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 574, 575, 576,
&end
#
# 42 LEU HB3 43 LEU HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 566, 580, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 42 LEU HB3 55 ALA QB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 772, 773, 774,
&end
#
# 42 LEU HB3 72 VAL QG2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1054,1055,1056,
&end
#
# 42 LEU HG 72 VAL QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1054,1055,1056,
&end
#
# 42 LEU HN 42 LEU HB2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 42 LEU HN 42 LEU HB3 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 42 LEU HN 42 LEU HG 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 42 LEU HN 42 LEU QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 570, 571, 572,
&end
#
# 42 LEU HN 42 LEU QD2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 574, 575, 576,
&end
#
# 42 LEU HN 43 LEU HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 561, 580, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 42 LEU QD1 45 MET HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 570, 571, 572,
&end
#
# 42 LEU QD1 45 MET QB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 570, 571, 572,
igr2= 620, 621,
&end
#
# 42 LEU QD1 45 MET QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 570, 571, 572,
igr2= 623, 624,
&end
#
# 42 LEU QD1 46 PHE HZ 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 570, 571, 572,
&end
#
# 42 LEU QD1 46 PHE QD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 570, 571, 572,
igr2= 641, 649,
&end
#
# 42 LEU QD1 46 PHE QE 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 570, 571, 572,
igr2= 643, 647,
&end
#
# 42 LEU QD1 72 VAL QG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 570, 571, 572,
igr2=1054,1055,1056,
&end
#
# 42 LEU QD2 43 LEU HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 46 PHE QE 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 574, 575, 576,
igr2= 643, 647,
&end
#
# 42 LEU QD2 55 ALA HA 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 55 ALA QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 574, 575, 576,
igr2= 772, 773, 774,
&end
#
# 42 LEU QD2 56 LYS+ HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 70 GLY HA2 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 70 GLY HA3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 71 PHE HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 72 VAL QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 574, 575, 576,
igr2=1054,1055,1056,
&end
#
# 43 LEU HA 43 LEU HG 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 43 LEU HA 43 LEU QD1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 589, 590, 591,
&end
#
# 43 LEU HA 43 LEU QD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 593, 594, 595,
&end
#
# 43 LEU HA 45 MET HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 582, 616, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 43 LEU HA 45 MET HN 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 616, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 43 LEU HA 46 PHE HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 582, 633, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 43 LEU HA 46 PHE QB 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 637, 638,
&end
#
# 43 LEU HA 47 MET HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 582, 653, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 43 LEU HA 52 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 731, 732, 733,
&end
#
# 43 LEU HA 55 ALA QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 772, 773, 774,
&end
#
# 43 LEU HB2 43 LEU QD1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 589, 590, 591,
&end
#
# 43 LEU HB2 43 LEU QD2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 593, 594, 595,
&end
#
# 43 LEU HB2 44 GLN HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 584, 599, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 43 LEU HB2 55 ALA QB 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 772, 773, 774,
&end
#
# 43 LEU HB3 43 LEU QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 589, 590, 591,
&end
#
# 43 LEU HB3 43 LEU QD2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 593, 594, 595,
&end
#
# 43 LEU HB3 44 GLN HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 585, 599, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 43 LEU HB3 55 ALA QB 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 772, 773, 774,
&end
#
# 43 LEU HG 44 GLN HA 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 43 LEU HG 44 GLN HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 587, 599, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 43 LEU HG 47 MET QE 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 664, 665, 666,
&end
#
# 43 LEU HG 47 MET QG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 660, 661,
&end
#
# 43 LEU HN 43 LEU HB2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 43 LEU HN 43 LEU HB3 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 43 LEU HN 43 LEU QD1 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 589, 590, 591,
&end
#
# 43 LEU HN 43 LEU QD2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 593, 594, 595,
&end
#
# 43 LEU HN 55 ALA QB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 772, 773, 774,
&end
#
# 43 LEU QD1 44 GLN HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 589, 590, 591,
&end
#
# 43 LEU QD1 45 MET HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 589, 590, 591,
&end
#
# 43 LEU QD1 47 MET QE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 589, 590, 591,
igr2= 664, 665, 666,
&end
#
# 43 LEU QD1 47 MET QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 589, 590, 591,
igr2= 660, 661,
&end
#
# 43 LEU QD1 52 VAL HB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 589, 590, 591,
&end
#
# 43 LEU QD1 55 ALA QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 589, 590, 591,
igr2= 772, 773, 774,
&end
#
# 43 LEU QD2 44 GLN HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 593, 594, 595,
&end
#
# 43 LEU QD2 47 MET QE 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 593, 594, 595,
igr2= 664, 665, 666,
&end
#
# 43 LEU QD2 47 MET QG 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 593, 594, 595,
igr2= 660, 661,
&end
#
# 44 GLN HA 44 GLN QB 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 603, 604,
&end
#
# 44 GLN HA 44 GLN QE2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 611, 612,
&end
#
# 44 GLN HA 47 MET HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 601, 653, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 44 GLN HA 47 MET QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 657, 658,
&end
#
# 44 GLN HA 47 MET QE 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 664, 665, 666,
&end
#
# 44 GLN HA 47 MET QG 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 660, 661,
&end
#
# 44 GLN HE21 47 MET QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 664, 665, 666,
&end
#
# 44 GLN HE22 47 MET QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 664, 665, 666,
&end
#
# 44 GLN HN 44 GLN HG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 599, 606, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 44 GLN HN 44 GLN HG3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 599, 607, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 44 GLN HN 44 GLN QB 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 603, 604,
&end
#
# 44 GLN HN 44 GLN QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 606, 607,
&end
#
# 44 GLN HN 45 MET HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 44 GLN QB 44 GLN HE21 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 603, 604,
&end
#
# 44 GLN QB 44 GLN HE22 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 603, 604,
&end
#
# 44 GLN QB 44 GLN QE2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 603, 604,
igr2= 611, 612,
&end
#
# 44 GLN QB 45 MET HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 603, 604,
&end
#
# 44 GLN QE2 47 MET QE 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 611, 612,
igr2= 664, 665, 666,
&end
#
# 45 MET HA 45 MET QE 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 627, 628, 629,
&end
#
# 45 MET HA 45 MET QG 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 623, 624,
&end
#
# 45 MET HA 47 MET HN 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 618, 653, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 45 MET HA 48 PROO HD2 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 618, 671, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 45 MET HA 48 PROO HD3 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 618, 672, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 45 MET HA 48 PROO HG2 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 618, 674, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 45 MET HA 48 PROO HG3 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 618, 675, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 45 MET HB2 46 PHE QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 641, 649,
&end
#
# 45 MET HB3 46 PHE QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 641, 649,
&end
#
# 45 MET HG2 87 MET QE 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1264,1265,1266,
&end
#
# 45 MET HG3 87 MET QE 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1264,1265,1266,
&end
#
# 45 MET HN 45 MET HB2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 45 MET HN 45 MET HB3 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 45 MET HN 45 MET QB 1.80 2.73
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2= 620, 621,
&end
#
# 45 MET HN 45 MET QG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 623, 624,
&end
#
# 45 MET HN 46 PHE QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 641, 649,
&end
#
# 45 MET HN 47 MET QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 45 MET QB 46 PHE HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 620, 621,
&end
#
# 45 MET QB 46 PHE QD 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 620, 621,
igr2= 641, 649,
&end
#
# 45 MET QB 46 PHE QE 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 620, 621,
igr2= 643, 647,
&end
#
# 45 MET QB 87 MET QE 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 620, 621,
igr2=1264,1265,1266,
&end
#
# 45 MET QE 46 PHE QE 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 627, 628, 629,
igr2= 643, 647,
&end
#
# 45 MET QE 87 MET QE 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 627, 628, 629,
igr2=1264,1265,1266,
&end
#
# 45 MET QE 90 PHE QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 627, 628, 629,
igr2=1299,1307,
&end
#
# 45 MET QE 90 PHE QE 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 627, 628, 629,
igr2=1301,1305,
&end
#
# 45 MET QE 92 ILE HG12 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 627, 628, 629,
&end
#
# 45 MET QE 92 ILE QD1 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 627, 628, 629,
igr2=1341,1342,1343,
&end
#
# 45 MET QE 97 LEU QD1 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 627, 628, 629,
igr2=1426,1427,1428,
&end
#
# 45 MET QE 97 LEU QD2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 627, 628, 629,
igr2=1430,1431,1432,
&end
#
# 45 MET QG 46 PHE HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 623, 624,
&end
#
# 45 MET QG 46 PHE QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 623, 624,
igr2= 641, 649,
&end
#
# 45 MET QG 46 PHE QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 623, 624,
igr2= 643, 647,
&end
#
# 45 MET QG 87 MET QE 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 623, 624,
igr2=1264,1265,1266,
&end
#
# 46 PHE HA 49 PHE QD 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 692, 700,
&end
#
# 46 PHE HB2 52 VAL QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 735, 736, 737,
&end
#
# 46 PHE HB2 72 VAL QG1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1050,1051,1052,
&end
#
# 46 PHE HB2 72 VAL QG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1054,1055,1056,
&end
#
# 46 PHE HB2 74 TYR HH 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 637,1084, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 46 PHE HB3 52 VAL QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 735, 736, 737,
&end
#
# 46 PHE HB3 72 VAL QG1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1050,1051,1052,
&end
#
# 46 PHE HB3 72 VAL QG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1054,1055,1056,
&end
#
# 46 PHE HB3 74 TYR HH 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 638,1084, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 46 PHE HN 46 PHE HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 633, 637, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 46 PHE HN 46 PHE HB3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 633, 638, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 46 PHE HN 46 PHE QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 637, 638,
&end
#
# 46 PHE HN 46 PHE QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 641, 649,
&end
#
# 46 PHE HN 47 MET HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 633, 653, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 46 PHE HN 47 MET QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 660, 661,
&end
#
# 46 PHE HZ 87 MET QB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1257,1258,
&end
#
# 46 PHE HZ 99 VAL QG2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1468,1469,1470,
&end
#
# 46 PHE QB 49 PHE HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 637, 638,
&end
#
# 46 PHE QB 52 VAL QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 637, 638,
igr2= 735, 736, 737,
&end
#
# 46 PHE QB 72 VAL QG1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 637, 638,
igr2=1050,1051,1052,
&end
#
# 46 PHE QB 72 VAL QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 637, 638,
igr2=1054,1055,1056,
&end
#
# 46 PHE QB 74 TYR HH 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 637, 638,
&end
#
# 46 PHE QB 74 TYR QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 637, 638,
igr2=1081,1086,
&end
#
# 46 PHE QD 47 MET HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 641, 649,
&end
#
# 46 PHE QD 49 PHE QD 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 641, 649,
igr2= 692, 700,
&end
#
# 46 PHE QD 72 VAL QG1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 641, 649,
igr2=1050,1051,1052,
&end
#
# 46 PHE QD 72 VAL QG2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 641, 649,
igr2=1054,1055,1056,
&end
#
# 46 PHE QD 74 TYR HH 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 641, 649,
&end
#
# 46 PHE QD 74 TYR QE 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 641, 649,
igr2=1081,1086,
&end
#
# 46 PHE QD 83 ALA QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 641, 649,
igr2=1200,1201,1202,
&end
#
# 46 PHE QD 87 MET HG3 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 641, 649,
&end
#
# 46 PHE QE 72 VAL QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 643, 647,
igr2=1054,1055,1056,
&end
#
# 46 PHE QE 83 ALA QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 643, 647,
igr2=1200,1201,1202,
&end
#
# 46 PHE QE 87 MET HB2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 643, 647,
&end
#
# 46 PHE QE 87 MET HB3 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 643, 647,
&end
#
# 46 PHE QE 87 MET HG2 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 643, 647,
&end
#
# 46 PHE QE 87 MET HG3 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 643, 647,
&end
#
# 46 PHE QE 87 MET QB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 643, 647,
igr2=1257,1258,
&end
#
# 46 PHE QE 87 MET QE 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 643, 647,
igr2=1264,1265,1266,
&end
#
# 46 PHE QE 99 VAL QG1 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 643, 647,
igr2=1464,1465,1466,
&end
#
# 46 PHE QE 99 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 643, 647,
igr2=1468,1469,1470,
&end
#
# 47 MET HA 50 GLY HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 655, 704, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 47 MET HA 52 VAL QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 735, 736, 737,
&end
#
# 47 MET HB2 48 PROO HD2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 657, 671, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 47 MET HB2 48 PROO HD3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 657, 672, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 47 MET HB3 48 PROO HD2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 658, 671, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 47 MET HB3 48 PROO HD3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 658, 672, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 47 MET HN 47 MET HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 653, 657, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 47 MET HN 47 MET HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 653, 658, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 47 MET HN 47 MET QB 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 657, 658,
&end
#
# 47 MET HN 47 MET QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 660, 661,
&end
#
# 47 MET HN 48 PROO HD2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 653, 671, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 47 MET HN 48 PROO HD3 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 653, 672, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 47 MET HN 52 VAL QG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 735, 736, 737,
&end
#
# 47 MET QB 48 PROO HD3 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 657, 658,
&end
#
# 47 MET QG 47 MET QE 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 660, 661,
igr2= 664, 665, 666,
&end
#
# 47 MET QG 48 PROO HD3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 660, 661,
&end
#
# 47 MET QG 52 VAL QG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 660, 661,
igr2= 735, 736, 737,
&end
#
# 48 PROO HA 50 GLY HN 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 680, 704, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 48 PROO HB2 49 PHE HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 677, 684, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 48 PROO HB3 49 PHE HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 678, 684, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 48 PROO HD2 48 PROO HB2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 671, 677, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 48 PROO HD2 48 PROO HB3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 671, 678, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 48 PROO HD2 48 PROO QG 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 674, 675,
&end
#
# 48 PROO HD2 49 PHE HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 671, 684, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 48 PROO HD2 49 PHE QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 692, 700,
&end
#
# 48 PROO HD2 49 PHE QE 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 694, 698,
&end
#
# 48 PROO HD3 48 PROO HB2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 672, 677, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 48 PROO HD3 48 PROO HB3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 672, 678, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 48 PROO HD3 48 PROO QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 677, 678,
&end
#
# 48 PROO HD3 48 PROO QG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 674, 675,
&end
#
# 48 PROO QB 49 PHE HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 677, 678,
&end
#
# 48 PROO QB 49 PHE QE 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 677, 678,
igr2= 694, 698,
&end
#
# 48 PROO QG 49 PHE HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 674, 675,
&end
#
# 49 PHE HA 49 PHE QD 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 692, 700,
&end
#
# 49 PHE HB2 50 GLY HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 688, 704, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 49 PHE HB2 50 GLY HN 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 688, 704, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 49 PHE HB2 74 TYR HH 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 688,1084, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 49 PHE HB2 74 TYR QE 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1081,1086,
&end
#
# 49 PHE HB2 82 ALA QB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1190,1191,1192,
&end
#
# 49 PHE HB2 83 ALA HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 688,1196, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 49 PHE HB2 83 ALA QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1200,1201,1202,
&end
#
# 49 PHE HB3 50 GLY HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 689, 704, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 49 PHE HB3 50 GLY HN 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 689, 704, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 49 PHE HB3 74 TYR HH 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 689,1084, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 49 PHE HB3 82 ALA QB 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1190,1191,1192,
&end
#
# 49 PHE HB3 83 ALA HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 689,1196, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 49 PHE HB3 83 ALA QB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1200,1201,1202,
&end
#
# 49 PHE HD1 83 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 692,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 PHE HD2 83 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 700,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 PHE HE1 83 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 694,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 PHE HE2 83 ALA HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 698,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 PHE HN 49 PHE HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 684, 688, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 49 PHE HN 49 PHE HB3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 684, 689, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 49 PHE HN 49 PHE QD 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 692, 700,
&end
#
# 49 PHE HN 50 GLY HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 684, 704, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 49 PHE HN 74 TYR HH 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 684,1084, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 PHE HZ 86 SER HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 696,1246, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 PHE HZ 86 SER HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 696,1247, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 PHE HZ 86 SER QB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1246,1247,
&end
#
# 49 PHE HZ 87 MET HG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 696,1260, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 49 PHE HZ 87 MET HG3 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 696,1261, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 49 PHE QD 74 TYR HH 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 692, 700,
&end
#
# 49 PHE QD 74 TYR QE 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 692, 700,
igr2=1081,1086,
&end
#
# 49 PHE QD 82 ALA QB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 692, 700,
igr2=1190,1191,1192,
&end
#
# 49 PHE QD 83 ALA HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 692, 700,
&end
#
# 49 PHE QD 83 ALA QB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 692, 700,
igr2=1200,1201,1202,
&end
#
# 49 PHE QD 87 MET QE 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 692, 700,
igr2=1264,1265,1266,
&end
#
# 49 PHE QE 83 ALA HA 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 694, 698,
&end
#
# 49 PHE QE 86 SER HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 694, 698,
&end
#
# 49 PHE QE 86 SER HB3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 694, 698,
&end
#
# 49 PHE QE 87 MET HG2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 694, 698,
&end
#
# 49 PHE QE 87 MET HG3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 694, 698,
&end
#
# 50 GLY HA2 51 ASN HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 706, 711, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 50 GLY HA2 74 TYR QE 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1081,1086,
&end
#
# 50 GLY HA3 51 ASN HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 707, 711, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 50 GLY HA3 74 TYR QE 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1081,1086,
&end
#
# 50 GLY HN 52 VAL QG2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 735, 736, 737,
&end
#
# 50 GLY HN 74 TYR HH 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 704,1084, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 50 GLY HN 74 TYR HH 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 704,1084, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 50 GLY HN 74 TYR QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1079,1088,
&end
#
# 50 GLY HN 74 TYR QE 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1081,1086,
&end
#
# 50 GLY QA 74 TYR QD 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 706, 707,
igr2=1079,1088,
&end
#
# 50 GLY QA 79 SER QB 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 706, 707,
igr2=1152,1153,
&end
#
# 51 ASN HA 52 VAL HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 713, 725, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 ASN HB2 52 VAL HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 715, 725, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 51 ASN HB3 52 VAL HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 716, 725, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 51 ASN HD21 53 VAL QG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 751, 752, 753,
&end
#
# 51 ASN HD22 53 VAL QG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 751, 752, 753,
&end
#
# 51 ASN HN 51 ASN HB2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 711, 715, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 51 ASN HN 51 ASN HB3 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 711, 716, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 51 ASN HN 51 ASN QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 715, 716,
&end
#
# 51 ASN HN 74 TYR QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1079,1088,
&end
#
# 51 ASN HN 75 ASP- HN 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 711,1092, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 51 ASN QB 51 ASN QD2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 715, 716,
igr2= 720, 721,
&end
#
# 51 ASN QB 52 VAL HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 715, 716,
&end
#
# 51 ASN QD2 53 VAL QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 720, 721,
igr2= 751, 752, 753,
&end
#
# 51 ASN QD2 75 ASP- QB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 720, 721,
igr2=1096,1097,
&end
#
# 52 VAL HA 52 VAL QG1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 731, 732, 733,
&end
#
# 52 VAL HA 52 VAL QG2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 735, 736, 737,
&end
#
# 52 VAL HA 53 VAL HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 727, 741, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 52 VAL HA 54 SER HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 727, 757, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 52 VAL HA 74 TYR HA 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 727,1073, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 52 VAL HA 74 TYR QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1079,1088,
&end
#
# 52 VAL HA 75 ASP- HN 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 727,1092, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 52 VAL HN 52 VAL HB 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 52 VAL HN 52 VAL QG1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 731, 732, 733,
&end
#
# 52 VAL HN 52 VAL QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 735, 736, 737,
&end
#
# 52 VAL QG1 53 VAL HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 54 SER HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 55 ALA QB 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 731, 732, 733,
igr2= 772, 773, 774,
&end
#
# 52 VAL QG1 72 VAL HA 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 72 VAL QG1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 731, 732, 733,
igr2=1050,1051,1052,
&end
#
# 52 VAL QG1 73 SER HA 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 73 SER HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 74 TYR HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG2 72 VAL QG1 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 735, 736, 737,
igr2=1050,1051,1052,
&end
#
# 52 VAL QG2 74 TYR HA 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 735, 736, 737,
&end
#
# 52 VAL QG2 74 TYR HH 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 735, 736, 737,
&end
#
# 52 VAL QG2 74 TYR QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 735, 736, 737,
igr2=1079,1088,
&end
#
# 52 VAL QG2 74 TYR QE 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 735, 736, 737,
igr2=1081,1086,
&end
#
# 53 VAL HA 53 VAL QG1 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 747, 748, 749,
&end
#
# 53 VAL HA 53 VAL QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 751, 752, 753,
&end
#
# 53 VAL HB 54 SER HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 745, 757, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 53 VAL HB 73 SER HB2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 745,1064, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 53 VAL HB 73 SER HB3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 745,1065, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 53 VAL HB 73 SER QB 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1064,1065,
&end
#
# 53 VAL HB 74 TYR HA 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 745,1073, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 53 VAL HN 53 VAL HB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 53 VAL HN 53 VAL QG2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 751, 752, 753,
&end
#
# 53 VAL HN 54 SER HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 741, 757, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 53 VAL HN 73 SER QB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1064,1065,
&end
#
# 53 VAL HN 74 TYR HA 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 741,1073, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 53 VAL QG1 54 SER HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 747, 748, 749,
&end
#
# 53 VAL QG1 73 SER QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 747, 748, 749,
igr2=1064,1065,
&end
#
# 53 VAL QG2 54 SER HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 73 SER HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 73 SER HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 73 SER QB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 751, 752, 753,
igr2=1064,1065,
&end
#
# 53 VAL QG2 74 TYR HA 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 74 TYR QD 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 751, 752, 753,
igr2=1079,1088,
&end
#
# 53 VAL QG2 75 ASP- HA 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 75 ASP- HB2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 75 ASP- HB3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 75 ASP- HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 75 ASP- QB 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 751, 752, 753,
igr2=1096,1097,
&end
#
# 54 SER HA 55 ALA HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 759, 768, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 54 SER HN 73 SER HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 757,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 SER HN 73 SER HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 757,1064, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 54 SER HN 73 SER HB3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 757,1065, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 54 SER HN 73 SER HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 757,1060, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 54 SER HN 73 SER QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1064,1065,
&end
#
# 54 SER HN 74 TYR HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 757,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ALA HA 56 LYS+ HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 770, 778, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 55 ALA HA 72 VAL HA 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 770,1046, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 55 ALA HA 72 VAL QG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1054,1055,1056,
&end
#
# 55 ALA HA 73 SER HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 770,1060, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 55 ALA HN 55 ALA QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 772, 773, 774,
&end
#
# 55 ALA QB 56 LYS+ HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 772, 773, 774,
&end
#
# 55 ALA QB 72 VAL HA 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 772, 773, 774,
&end
#
# 55 ALA QB 72 VAL QG2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 772, 773, 774,
igr2=1054,1055,1056,
&end
#
# 56 LYS+ HA 57 VAL HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 780, 800, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 56 LYS HN 56 LYS HA 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 778, 780, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 56 LYS+ HN 56 LYS+ QG 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 785, 786,
&end
#
# 56 LYS+ HN 71 PHE HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 778,1024, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 56 LYS+ HN 71 PHE QB 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1028,1029,
&end
#
# 56 LYS+ HN 72 VAL HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 778,1046, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 56 LYS+ HN 72 VAL QG2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1054,1055,1056,
&end
#
# 56 LYS+ QB 56 LYS+ QE 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 782, 783,
igr2= 791, 792,
&end
#
# 56 LYS+ QG 57 VAL HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 785, 786,
&end
#
# 57 VAL HA 57 VAL QG1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 806, 807, 808,
&end
#
# 57 VAL HA 57 VAL QG2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 810, 811, 812,
&end
#
# 57 VAL HA 58 PHE HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 802, 816, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 57 VAL HA 59 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 57 VAL HA 70 GLY HA2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 802,1019, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 57 VAL HA 70 GLY HA3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 802,1020, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 57 VAL HA 71 PHE HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 802,1024, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 VAL HB 59 ILE QD1 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 849, 850, 851,
&end
#
# 57 VAL HB 66 SER QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 957, 958,
&end
#
# 57 VAL HN 57 VAL HB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 800, 804, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 57 VAL HN 57 VAL QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 810, 811, 812,
&end
#
# 57 VAL QG1 58 PHE HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 66 SER HA 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 66 SER HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 66 SER QB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 806, 807, 808,
igr2= 957, 958,
&end
#
# 57 VAL QG1 68 CYS HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 69 PHE HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 806, 807, 808,
&end
#
# 58 PHE HA 58 PHE QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 824, 832,
&end
#
# 58 PHE HA 59 ILE HB 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 818, 840, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 58 PHE HA 59 ILE HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 818, 836, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 58 PHE HB3 59 ILE HA 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 821, 838, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 58 PHE HB3 67 LYS+ HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 821, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 PHE HB3 67 LYS+ QB 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 968, 969,
&end
#
# 58 PHE HB3 69 PHE QE 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1007,1011,
&end
#
# 58 PHE HN 70 GLY HA2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 816,1019, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 58 PHE QD 67 LYS+ HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 824, 832,
&end
#
# 58 PHE QD 67 LYS+ HB3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 824, 832,
&end
#
# 58 PHE QD 67 LYS+ HG2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 824, 832,
&end
#
# 58 PHE QD 67 LYS+ HG3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 824, 832,
&end
#
# 58 PHE QD 67 LYS+ QB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 824, 832,
igr2= 968, 969,
&end
#
# 58 PHE QD 67 LYS+ QD 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 824, 832,
igr2= 974, 975,
&end
#
# 58 PHE QD 67 LYS+ QG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 824, 832,
igr2= 971, 972,
&end
#
# 58 PHE QD 69 PHE QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 824, 832,
igr2=1007,1011,
&end
#
# 58 PHE QE 67 LYS+ QD 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 826, 830,
igr2= 974, 975,
&end
#
# 59 ILE HA 59 ILE QD1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 849, 850, 851,
&end
#
# 59 ILE HA 59 ILE QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 842, 843, 844,
&end
#
# 59 ILE HA 60 ASP- HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 838, 855, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 59 ILE HA 60 ASP- QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 859, 860,
&end
#
# 59 ILE HA 66 SER HA 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 838, 955, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 59 ILE HA 67 LYS+ HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 838, 964, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 59 ILE HA 67 LYS+ QG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 971, 972,
&end
#
# 59 ILE HB 59 ILE QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 849, 850, 851,
&end
#
# 59 ILE HB 60 ASP- HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 840, 855, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 59 ILE HN 59 ILE HA 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 836, 838, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 59 ILE HN 59 ILE HB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 836, 840, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 59 ILE HN 59 ILE HG12 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 836, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 59 ILE HN 59 ILE HG13 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 836, 847, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 59 ILE HN 59 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 59 ILE HN 59 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 842, 843, 844,
&end
#
# 59 ILE QD1 66 SER HA 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 849, 850, 851,
&end
#
# 59 ILE QD1 66 SER HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 849, 850, 851,
&end
#
# 59 ILE QD1 66 SER QB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 849, 850, 851,
igr2= 957, 958,
&end
#
# 59 ILE QG2 59 ILE HG12 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 59 ILE HG13 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 59 ILE QG1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 842, 843, 844,
igr2= 846, 847,
&end
#
# 59 ILE QG2 60 ASP- HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 64 ASN HA 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 64 ASN HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 64 ASN QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 842, 843, 844,
igr2= 924, 925,
&end
#
# 59 ILE QG2 65 LEU HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 66 SER HA 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 66 SER HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 66 SER QB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 842, 843, 844,
igr2= 957, 958,
&end
#
# 60 ASP- HN 60 ASP- HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 855, 859, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 60 ASP- HN 60 ASP- HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 855, 860, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 60 ASP- HN 66 SER HA 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 855, 955, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 60 ASP- HN 67 LYS+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 855, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASP- HN 67 LYS+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 855, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASP- HN 67 LYS+ QG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 971, 972,
&end
#
# 60 ASP- QB 63 THR HB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 859, 860,
&end
#
# 60 ASP- QB 63 THR HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 859, 860,
&end
#
# 60 ASP- QB 64 ASN HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 859, 860,
&end
#
# 60 ASP- QB 65 LEU HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 859, 860,
&end
#
# 60 ASP- QB 67 LYS+ QG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 859, 860,
igr2= 971, 972,
&end
#
# 61 LYS+ HA 61 LYS+ QD 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 877, 878,
&end
#
# 61 LYS+ HA 61 LYS+ QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 874, 875,
&end
#
# 61 LYS+ HA 64 ASN HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 869, 920, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 61 LYS+ HB2 61 LYS+ QE 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 880, 881,
&end
#
# 61 LYS+ HB2 62 GLN HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 871, 889, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 61 LYS+ HB3 61 LYS+ QE 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 880, 881,
&end
#
# 61 LYS+ HB3 62 GLN HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 872, 889, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 61 LYS+ HN 61 LYS+ HB2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 61 LYS+ HN 61 LYS+ HB3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 867, 872, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 61 LYS+ HN 61 LYS+ QB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 871, 872,
&end
#
# 61 LYS+ HN 61 LYS+ QG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 874, 875,
&end
#
# 61 LYS+ HN 62 GLN HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 867, 889, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 61 LYS+ QB 62 GLN HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 871, 872,
&end
#
# 61 LYS+ QG 62 GLN HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 874, 875,
&end
#
# 62 GLN HA 62 GLN HG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 891, 896, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 GLN HA 62 GLN HG3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 891, 897, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 GLN HA 62 GLN QG 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 896, 897,
&end
#
# 62 GLN HB2 63 THR HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 893, 906, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 62 GLN HB2 63 THR QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 912, 913, 914,
&end
#
# 62 GLN HB3 63 THR HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 894, 906, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 62 GLN HB3 63 THR QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 912, 913, 914,
&end
#
# 62 GLN HG2 63 THR QG2 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 912, 913, 914,
&end
#
# 62 GLN HG3 63 THR QG2 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 912, 913, 914,
&end
#
# 62 GLN HN 62 GLN HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 889, 893, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 62 GLN HN 62 GLN HB3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 889, 894, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 62 GLN HN 62 GLN HG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 889, 896, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 62 GLN HN 62 GLN HG3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 889, 897, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 62 GLN HN 62 GLN QB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 893, 894,
&end
#
# 62 GLN HN 63 THR HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 889, 906, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 62 GLN HN 63 THR QG2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 912, 913, 914,
&end
#
# 62 GLN HN 64 ASN HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 889, 920, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 62 GLN QB 63 THR HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 893, 894,
&end
#
# 62 GLN QG 63 THR QG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 896, 897,
igr2= 912, 913, 914,
&end
#
# 63 THR HA 63 THR QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 912, 913, 914,
&end
#
# 63 THR HB 65 LEU HB2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 910, 938, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 63 THR HB 65 LEU HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 910, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR HB 65 LEU HG 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 910, 941, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 63 THR HB 65 LEU HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 910, 934, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 63 THR HB 65 LEU QD1 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 943, 944, 945,
&end
#
# 63 THR HB 65 LEU QD2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 947, 948, 949,
&end
#
# 63 THR HG1 65 LEU HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 916, 934, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 63 THR HN 63 THR HG1 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 63 THR HN 63 THR QG2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 912, 913, 914,
&end
#
# 63 THR HN 64 ASN HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 906, 920, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 63 THR HN 65 LEU HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 906, 934, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 63 THR QG2 64 ASN HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 912, 913, 914,
&end
#
# 63 THR QG2 65 LEU HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 912, 913, 914,
&end
#
# 64 ASN HA 65 LEU HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 922, 934, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 64 ASN HB2 65 LEU HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 924, 934, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 64 ASN HB3 65 LEU HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 925, 934, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 64 ASN HN 64 ASN QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 924, 925,
&end
#
# 64 ASN HN 65 LEU HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 920, 934, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 64 ASN QB 64 ASN QD2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 924, 925,
igr2= 929, 930,
&end
#
# 65 LEU HA 65 LEU QD2 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 947, 948, 949,
&end
#
# 65 LEU HA 66 SER HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 953, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 65 LEU HA 66 SER HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 936, 953, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 65 LEU HB2 66 SER HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 938, 953, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 65 LEU HB3 66 SER HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 939, 953, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 65 LEU HN 65 LEU HB2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 65 LEU HN 65 LEU HB3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 65 LEU HN 65 LEU HG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 65 LEU HN 65 LEU QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 943, 944, 945,
&end
#
# 65 LEU HN 65 LEU QD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 947, 948, 949,
&end
#
# 65 LEU QD2 66 SER HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 947, 948, 949,
&end
#
# 66 SER HA 67 LYS+ HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 66 SER HA 68 CYS HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 955, 986, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 66 SER HB2 68 CYS HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 957, 986, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 66 SER HB3 68 CYS HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 958, 986, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 66 SER HG 68 CYS HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 960, 986, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 66 SER HN 66 SER HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 953, 955, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 66 SER HN 66 SER HB2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 66 SER HN 66 SER HB3 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 67 LYS+ HA 67 LYS+ QG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 971, 972,
&end
#
# 67 LYS+ HB2 69 PHE QD 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1005,1013,
&end
#
# 67 LYS+ HB2 69 PHE QE 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1007,1011,
&end
#
# 67 LYS+ HB3 69 PHE QD 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1005,1013,
&end
#
# 67 LYS+ HB3 69 PHE QE 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1007,1011,
&end
#
# 67 LYS+ HE2 69 PHE QE 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1007,1011,
&end
#
# 67 LYS+ HE3 69 PHE QE 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1007,1011,
&end
#
# 67 LYS+ HN 67 LYS+ QG 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 971, 972,
&end
#
# 67 LYS+ HN 68 CYS HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 964, 986, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 67 LYS+ QB 67 LYS+ QE 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 968, 969,
igr2= 977, 978,
&end
#
# 67 LYS+ QB 69 PHE QD 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 968, 969,
igr2=1005,1013,
&end
#
# 67 LYS+ QD 69 PHE QE 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 974, 975,
igr2=1007,1011,
&end
#
# 68 CYS HN 69 PHE HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 986, 997, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 69 PHE HA 69 PHE QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1005,1013,
&end
#
# 69 PHE HB2 70 GLY HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1001,1017, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 PHE HB3 70 GLY HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1002,1017, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 PHE HN 69 PHE QD 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1005,1013,
&end
#
# 69 PHE QB 70 GLY HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1001,1002,
&end
#
# 69 PHE QD 70 GLY HA2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1005,1013,
&end
#
# 69 PHE QD 70 GLY HA3 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1005,1013,
&end
#
# 69 PHE QD 70 GLY HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1005,1013,
&end
#
# 70 GLY HA2 71 PHE QD 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1032,1040,
&end
#
# 70 GLY HA3 71 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1032,1040,
&end
#
# 71 PHE HA 71 PHE QD 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1032,1040,
&end
#
# 71 PHE HA 72 VAL HB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1026,1048, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 71 PHE HA 72 VAL HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1026,1044, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 71 PHE HN 71 PHE QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1028,1029,
&end
#
# 71 PHE HN 71 PHE QD 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1032,1040,
&end
#
# 71 PHE QB 72 VAL HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1028,1029,
&end
#
# 71 PHE QD 102 LYS+ QB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1032,1040,
igr2=1514,1515,
&end
#
# 71 PHE QD 102 LYS+ QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1032,1040,
igr2=1520,1521,
&end
#
# 71 PHE QE 102 LYS+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1034,1038,
igr2=1514,1515,
&end
#
# 71 PHE QE 102 LYS+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1034,1038,
igr2=1520,1521,
&end
#
# 72 VAL HA 72 VAL QG1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1050,1051,1052,
&end
#
# 72 VAL HA 72 VAL QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1054,1055,1056,
&end
#
# 72 VAL HA 73 SER HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1046,1060, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 72 VAL HB 74 TYR QD 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1079,1088,
&end
#
# 72 VAL HN 72 VAL HB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1044,1048, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 72 VAL HN 72 VAL QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1054,1055,1056,
&end
#
# 72 VAL QG1 73 SER HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1050,1051,1052,
&end
#
# 72 VAL QG1 74 TYR HH 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1050,1051,1052,
&end
#
# 72 VAL QG1 74 TYR QD 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1050,1051,1052,
igr2=1079,1088,
&end
#
# 72 VAL QG1 74 TYR QE 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1050,1051,1052,
igr2=1081,1086,
&end
#
# 73 SER HA 74 TYR HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1062,1071, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 73 SER QB 74 TYR HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1064,1065,
&end
#
# 74 TYR HA 74 TYR QD 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1079,1088,
&end
#
# 74 TYR HA 75 ASP- HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1073,1092, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 74 TYR HB2 75 ASP- HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1075,1092, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 74 TYR HB2 76 ASN HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1075,1104, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 74 TYR HB3 75 ASP- HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1076,1092, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 74 TYR HB3 76 ASN HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1076,1104, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 74 TYR HH 83 ALA QB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1200,1201,1202,
&end
#
# 74 TYR HN 74 TYR HA 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1071,1073, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 74 TYR HN 74 TYR QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1075,1076,
&end
#
# 74 TYR HN 74 TYR QD 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1079,1088,
&end
#
# 74 TYR QB 75 ASP- HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1075,1076,
&end
#
# 74 TYR QB 76 ASN HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1075,1076,
&end
#
# 74 TYR QB 79 SER QB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1075,1076,
igr2=1152,1153,
&end
#
# 74 TYR QB 80 ALA HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1075,1076,
&end
#
# 74 TYR QB 80 ALA QB 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1075,1076,
igr2=1163,1164,1165,
&end
#
# 74 TYR QD 75 ASP- HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1079,1088,
&end
#
# 74 TYR QD 76 ASN HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1079,1088,
&end
#
# 74 TYR QD 79 SER HB2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1079,1088,
&end
#
# 74 TYR QD 79 SER HB3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1079,1088,
&end
#
# 74 TYR QD 79 SER QB 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1079,1088,
igr2=1152,1153,
&end
#
# 74 TYR QD 80 ALA HA 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1079,1088,
&end
#
# 74 TYR QD 80 ALA HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1079,1088,
&end
#
# 74 TYR QD 80 ALA QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1079,1088,
igr2=1163,1164,1165,
&end
#
# 74 TYR QE 74 TYR HH 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1081,1086,
&end
#
# 74 TYR QE 79 SER QB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1081,1086,
igr2=1152,1153,
&end
#
# 74 TYR QE 80 ALA HA 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1081,1086,
&end
#
# 74 TYR QE 80 ALA QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1081,1086,
igr2=1163,1164,1165,
&end
#
# 74 TYR QE 83 ALA QB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1081,1086,
igr2=1200,1201,1202,
&end
#
# 75 ASP- HN 75 ASP- QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1096,1097,
&end
#
# 75 ASP- HN 76 ASN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1092,1104, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 76 ASN HA 77 PROO HD2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1106,1119, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 76 ASN HA 77 PROO HD3 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1106,1120, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 76 ASN HB2 77 PROO HD2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1108,1119, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 76 ASN HB2 77 PROO HD3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1108,1120, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 76 ASN HB3 77 PROO HD2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1109,1119, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 76 ASN HB3 77 PROO HD3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1109,1120, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 76 ASN HN 76 ASN QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1108,1109,
&end
#
# 76 ASN HN 79 SER HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1104,1148, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 76 ASN HN 79 SER QB 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1152,1153,
&end
#
# 76 ASN QB 76 ASN QD2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1108,1109,
igr2=1113,1114,
&end
#
# 76 ASN QB 77 PROO QD 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1108,1109,
igr2=1119,1120,
&end
#
# 76 ASN QB 78 VAL HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1108,1109,
&end
#
# 77 PROO HA 77 PROO HG3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1128,1123, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 77 PROO HA 80 ALA HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1128,1159, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 77 PROO HA 80 ALA QB 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1163,1164,1165,
&end
#
# 77 PROO HA 81 GLN HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1128,1169, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 77 PROO HB2 78 VAL HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1125,1132, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 77 PROO HD2 77 PROO HB2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1119,1125, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 77 PROO HD2 77 PROO HB3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1119,1126, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 77 PROO HD2 77 PROO HG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1119,1122, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 77 PROO HD2 77 PROO HG3 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 77 PROO HD3 77 PROO HB2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 77 PROO HD3 77 PROO HB3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1120,1126, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 77 PROO HD3 77 PROO HG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1120,1122, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 77 PROO HD3 77 PROO HG3 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1120,1123, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 77 PROO HG2 78 VAL HA 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1122,1134, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 77 PROO HG2 78 VAL HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1122,1132, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 77 PROO HG2 78 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1142,1143,1144,
&end
#
# 77 PROO QD 77 PROO HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1119,1120,
&end
#
# 77 PROO QD 77 PROO HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1119,1120,
&end
#
# 77 PROO QD 77 PROO HG2 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1=1119,1120,
&end
#
# 77 PROO QD 77 PROO HG3 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1=1119,1120,
&end
#
# 77 PROO QD 78 VAL HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1119,1120,
&end
#
# 77 PROO QD 78 VAL QG2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1119,1120,
igr2=1142,1143,1144,
&end
#
# 78 VAL HA 78 VAL QG1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1138,1139,1140,
&end
#
# 78 VAL HA 78 VAL QG2 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1142,1143,1144,
&end
#
# 78 VAL HA 80 ALA HN 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1134,1159, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 78 VAL HA 81 GLN HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1134,1173, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 VAL HA 81 GLN HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1134,1173, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 VAL HA 81 GLN HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1134,1174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 VAL HA 81 GLN HB3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1134,1174, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 78 VAL HA 81 GLN HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1134,1169, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 78 VAL HA 81 GLN QG 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1176,1177,
&end
#
# 78 VAL HA 82 ALA HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1134,1186, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 78 VAL HB 79 SER HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1136,1148, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 78 VAL HN 78 VAL HB 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat=1132,1136, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 78 VAL HN 78 VAL QG1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1138,1139,1140,
&end
#
# 78 VAL HN 78 VAL QG2 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1142,1143,1144,
&end
#
# 78 VAL HN 79 SER HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1132,1148, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 78 VAL QG1 79 SER HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1138,1139,1140,
&end
#
# 78 VAL QG1 79 SER HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1138,1139,1140,
&end
#
# 78 VAL QG2 79 SER HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1142,1143,1144,
&end
#
# 79 SER HA 81 GLN HN 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1150,1169, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 79 SER HA 82 ALA HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1150,1186, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 79 SER HA 82 ALA QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1190,1191,1192,
&end
#
# 79 SER HA 83 ALA HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1150,1196, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 79 SER HN 79 SER HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1148,1152, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 79 SER HN 79 SER HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1148,1153, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 79 SER HN 79 SER QB 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1152,1153,
&end
#
# 79 SER HN 80 ALA HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1148,1159, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 79 SER HN 80 ALA QB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1163,1164,1165,
&end
#
# 79 SER QB 80 ALA HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1152,1153,
&end
#
# 80 ALA HA 82 ALA HN 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1161,1186, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 80 ALA HA 83 ALA HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1161,1196, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 80 ALA HA 83 ALA QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1200,1201,1202,
&end
#
# 80 ALA HN 80 ALA QB 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1163,1164,1165,
&end
#
# 80 ALA HN 81 GLN HB2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 80 ALA HN 81 GLN HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1159,1169, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 80 ALA QB 81 GLN HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1163,1164,1165,
&end
#
# 80 ALA QB 81 GLN QG 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1163,1164,1165,
igr2=1176,1177,
&end
#
# 80 ALA QB 84 ILE QD1 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1163,1164,1165,
igr2=1219,1220,1221,
&end
#
# 81 GLN HA 81 GLN QG 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1176,1177,
&end
#
# 81 GLN HA 84 ILE HB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1171,1210, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 81 GLN HA 84 ILE HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1171,1206, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 81 GLN HA 84 ILE QD1 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1219,1220,1221,
&end
#
# 81 GLN HB2 82 ALA HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1173,1186, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 81 GLN HB3 81 GLN QG 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1176,1177,
&end
#
# 81 GLN HB3 82 ALA HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1174,1186, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 81 GLN HE21 101 LEU QD1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1500,1501,1502,
&end
#
# 81 GLN HE21 101 LEU QD2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1504,1505,1506,
&end
#
# 81 GLN HE21 84 ILE QD1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1219,1220,1221,
&end
#
# 81 GLN HE22 101 LEU QD1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1500,1501,1502,
&end
#
# 81 GLN HE22 101 LEU QD2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1504,1505,1506,
&end
#
# 81 GLN HE22 84 ILE QD1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1219,1220,1221,
&end
#
# 81 GLN HN 101 LEU QD2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1504,1505,1506,
&end
#
# 81 GLN HN 81 GLN HB2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1173, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 GLN HN 81 GLN HB3 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 81 GLN HN 81 GLN QG 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1176,1177,
&end
#
# 81 GLN HN 82 ALA HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1169,1186, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 81 GLN QE2 101 LEU QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1181,1182,
igr2=1500,1501,1502,
&end
#
# 81 GLN QE2 101 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1181,1182,
igr2=1504,1505,1506,
&end
#
# 81 GLN QE2 84 ILE QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1181,1182,
igr2=1219,1220,1221,
&end
#
# 81 GLN QG 101 LEU QD2 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1176,1177,
igr2=1504,1505,1506,
&end
#
# 81 GLN QG 81 GLN HE21 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1176,1177,
&end
#
# 81 GLN QG 81 GLN HE22 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1176,1177,
&end
#
# 81 GLN QG 81 GLN QE2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1176,1177,
igr2=1181,1182,
&end
#
# 81 GLN QG 82 ALA HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1176,1177,
&end
#
# 81 GLN QG 84 ILE QD1 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1176,1177,
igr2=1219,1220,1221,
&end
#
# 82 ALA HA 85 GLN HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1188,1225, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 82 ALA HA 85 GLN QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1229,1230,
&end
#
# 82 ALA HA 85 GLN QE2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1237,1238,
&end
#
# 82 ALA HA 85 GLN QG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1232,1233,
&end
#
# 82 ALA HA 86 SER HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1188,1242, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 82 ALA HN 82 ALA QB 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1190,1191,1192,
&end
#
# 82 ALA QB 83 ALA HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1190,1191,1192,
&end
#
# 83 ALA HA 86 SER HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1198,1242, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 83 ALA HA 86 SER QB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1246,1247,
&end
#
# 83 ALA HA 87 MET HG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1198,1260, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 83 ALA HA 87 MET HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1198,1253, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 83 ALA HN 83 ALA QB 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1200,1201,1202,
&end
#
# 83 ALA HN 84 ILE HG13 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1196,1217, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 83 ALA HN 84 ILE HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1196,1206, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 83 ALA QB 84 ILE HG13 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1200,1201,1202,
&end
#
# 83 ALA QB 84 ILE HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1200,1201,1202,
&end
#
# 83 ALA QB 87 MET HG2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1200,1201,1202,
&end
#
# 84 ILE HA 84 ILE HG12 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1208,1216, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 84 ILE HA 84 ILE HG13 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1208,1217, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 84 ILE HA 84 ILE QD1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1219,1220,1221,
&end
#
# 84 ILE HA 84 ILE QG2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1212,1213,1214,
&end
#
# 84 ILE HA 87 MET HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1208,1253, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 84 ILE HA 88 ASN HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1208,1270, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 84 ILE HA 88 ASN QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1274,1275,
&end
#
# 84 ILE HA 99 VAL HB 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1208,1462, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 84 ILE HA 99 VAL QG1 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1464,1465,1466,
&end
#
# 84 ILE HB 84 ILE QD1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1219,1220,1221,
&end
#
# 84 ILE HB 85 GLN HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1210,1225, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 84 ILE HB 86 SER HN 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat=1210,1242, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 84 ILE HN 84 ILE HB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1206,1210, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 84 ILE HN 84 ILE HG12 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 84 ILE HN 84 ILE HG13 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1206,1217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 ILE HN 84 ILE QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1219,1220,1221,
&end
#
# 84 ILE HN 84 ILE QG2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1212,1213,1214,
&end
#
# 84 ILE HN 85 GLN HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1206,1225, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 84 ILE HN 85 GLN QB 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1229,1230,
&end
#
# 84 ILE HN 99 VAL QG1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1464,1465,1466,
&end
#
# 84 ILE QD1 100 GLN QB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1219,1220,1221,
igr2=1478,1479,
&end
#
# 84 ILE QD1 101 LEU HA 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1219,1220,1221,
&end
#
# 84 ILE QD1 101 LEU HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1219,1220,1221,
&end
#
# 84 ILE QG2 84 ILE HG12 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 84 ILE HG13 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 85 GLN HA 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 85 GLN HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 85 GLN QG 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1212,1213,1214,
igr2=1232,1233,
&end
#
# 84 ILE QG2 88 ASN HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 88 ASN QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1212,1213,1214,
igr2=1274,1275,
&end
#
# 84 ILE QG2 88 ASN QD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1212,1213,1214,
igr2=1279,1280,
&end
#
# 85 GLN HA 85 GLN QB 1.80 2.74
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2=1229,1230,
&end
#
# 85 GLN HA 85 GLN QG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1232,1233,
&end
#
# 85 GLN HA 88 ASN HN 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat=1227,1270, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 85 GLN HA 88 ASN QB 4.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 3.50, r2= 4.00, r3=112.25, r4=112.75,
igr2=1274,1275,
&end
#
# 85 GLN HN 85 GLN QB 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1229,1230,
&end
#
# 85 GLN HN 85 GLN QG 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1232,1233,
&end
#
# 85 GLN HN 86 SER HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1225,1242, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 85 GLN HN 88 ASN HN 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat=1225,1270, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 85 GLN QB 85 GLN QE2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1229,1230,
igr2=1237,1238,
&end
#
# 85 GLN QB 86 SER HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1229,1230,
&end
#
# 86 SER HB2 87 MET HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1246,1253, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 86 SER HB3 87 MET HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1247,1253, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 86 SER HN 86 SER HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1242,1246, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 86 SER HN 86 SER HB3 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1242,1247, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 86 SER HN 86 SER QB 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1246,1247,
&end
#
# 86 SER HN 87 MET HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1242,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 SER HN 87 MET HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1242,1253, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 86 SER QB 87 MET HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1246,1247,
&end
#
# 87 MET HA 90 PHE HB2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1255,1295, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 87 MET HA 90 PHE HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1255,1296, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 87 MET HA 90 PHE HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1255,1291, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 87 MET HA 90 PHE QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1295,1296,
&end
#
# 87 MET HB2 99 VAL QG2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1468,1469,1470,
&end
#
# 87 MET HB3 99 VAL QG2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1468,1469,1470,
&end
#
# 87 MET HG2 87 MET QE 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1264,1265,1266,
&end
#
# 87 MET HG3 87 MET QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1264,1265,1266,
&end
#
# 87 MET HN 87 MET HG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1253,1260, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 87 MET HN 87 MET QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1257,1258,
&end
#
# 87 MET QB 87 MET QE 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1257,1258,
igr2=1264,1265,1266,
&end
#
# 87 MET QB 88 ASN HA 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1257,1258,
&end
#
# 87 MET QB 88 ASN HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1257,1258,
&end
#
# 87 MET QB 99 VAL QG2 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1257,1258,
igr2=1468,1469,1470,
&end
#
# 87 MET QE 90 PHE HB2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1264,1265,1266,
&end
#
# 87 MET QE 90 PHE HB3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1264,1265,1266,
&end
#
# 87 MET QE 90 PHE QB 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1264,1265,1266,
igr2=1295,1296,
&end
#
# 87 MET QE 90 PHE QD 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1264,1265,1266,
igr2=1299,1307,
&end
#
# 88 ASN HA 89 GLY HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1272,1284, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 88 ASN HA 90 PHE HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1272,1291, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 88 ASN HA 98 LYS+ HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1272,1438, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 88 ASN HA 99 VAL HB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1272,1462, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 88 ASN HA 99 VAL HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1272,1458, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 88 ASN HA 99 VAL QG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1468,1469,1470,
&end
#
# 88 ASN HN 88 ASN QB 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1274,1275,
&end
#
# 88 ASN HN 88 ASN QD2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1279,1280,
&end
#
# 88 ASN HN 99 VAL HB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1270,1462, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 88 ASN HN 99 VAL QG2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1468,1469,1470,
&end
#
# 88 ASN QB 88 ASN HD21 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1274,1275,
&end
#
# 88 ASN QB 88 ASN HD22 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1274,1275,
&end
#
# 88 ASN QB 88 ASN QD2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1274,1275,
igr2=1279,1280,
&end
#
# 88 ASN QB 89 GLY HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1274,1275,
&end
#
# 88 ASN QB 99 VAL HB 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1274,1275,
&end
#
# 88 ASN QB 99 VAL HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1274,1275,
&end
#
# 88 ASN QB 99 VAL QG2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1274,1275,
igr2=1468,1469,1470,
&end
#
# 89 GLY HA2 96 ARG+ HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1286,1397, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 89 GLY HA2 96 ARG+ HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1286,1398, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 89 GLY HA2 96 ARG+ HD2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1286,1403, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 GLY HA2 96 ARG+ HD3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1286,1404, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 GLY HA3 96 ARG+ HB3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1287,1398, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 89 GLY HA3 96 ARG+ HD2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1287,1403, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 89 GLY HA3 96 ARG+ HD3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1287,1404, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 89 GLY HN 90 PHE HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1284,1291, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 89 GLY HN 98 LYS+ HA 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat=1284,1438, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 89 GLY HN 99 VAL HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1284,1458, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 89 GLY HN 99 VAL QG2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1468,1469,1470,
&end
#
# 90 PHE HA 90 PHE QD 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1299,1307,
&end
#
# 90 PHE HA 91 GLN HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat=1293,1311, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 90 PHE HA 91 GLN QB 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1315,1316,
&end
#
# 90 PHE HB2 91 GLN HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 90 PHE HB2 97 LEU QD1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1426,1427,1428,
&end
#
# 90 PHE HB3 91 GLN HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1296,1311, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 90 PHE HB3 97 LEU QD1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1426,1427,1428,
&end
#
# 90 PHE HN 90 PHE HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1291,1293, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 90 PHE HN 90 PHE HB2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1291,1295, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 90 PHE HN 90 PHE HB3 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1291,1296, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 90 PHE HN 90 PHE QD 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1299,1307,
&end
#
# 90 PHE HN 97 LEU HB2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1291,1421, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 90 PHE HN 97 LEU HB3 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat=1291,1422, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 90 PHE HN 97 LEU HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1291,1417, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 90 PHE HN 97 LEU QD1 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1426,1427,1428,
&end
#
# 90 PHE HZ 92 ILE QD1 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1341,1342,1343,
&end
#
# 90 PHE QB 97 LEU HB2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1295,1296,
&end
#
# 90 PHE QB 97 LEU QD1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1295,1296,
igr2=1426,1427,1428,
&end
#
# 90 PHE QD 91 GLN HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1299,1307,
&end
#
# 90 PHE QD 92 ILE HB 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1299,1307,
&end
#
# 90 PHE QD 92 ILE HG12 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1299,1307,
&end
#
# 90 PHE QD 92 ILE HG13 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1299,1307,
&end
#
# 90 PHE QD 92 ILE QD1 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1299,1307,
igr2=1341,1342,1343,
&end
#
# 90 PHE QD 97 LEU QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1299,1307,
igr2=1426,1427,1428,
&end
#
# 90 PHE QE 92 ILE HB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1301,1305,
&end
#
# 90 PHE QE 92 ILE HG12 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1301,1305,
&end
#
# 90 PHE QE 92 ILE HG13 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1301,1305,
&end
#
# 90 PHE QE 92 ILE QD1 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1301,1305,
igr2=1341,1342,1343,
&end
#
# 91 GLN HA 91 GLN QG 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1318,1319,
&end
#
# 91 GLN HA 92 ILE HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1313,1328, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 91 GLN HA 96 ARG+ HA 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1313,1395, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 91 GLN HA 96 ARG+ QG 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1400,1401,
&end
#
# 91 GLN HA 97 LEU HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1313,1417, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 91 GLN HB2 92 ILE HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1315,1328, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 91 GLN HB3 92 ILE HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1316,1328, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 91 GLN HE21 94 MET HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1323,1356, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 91 GLN HE22 94 MET HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1324,1356, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 91 GLN HN 91 GLN HB2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1311,1315, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 91 GLN HN 91 GLN HB3 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1311,1316, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 91 GLN HN 91 GLN QG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1318,1319,
&end
#
# 91 GLN QB 92 ILE HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1315,1316,
&end
#
# 91 GLN QB 92 ILE HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1315,1316,
&end
#
# 91 GLN QE2 94 MET HA 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1323,1324,
&end
#
# 91 GLN QG 92 ILE HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1318,1319,
&end
#
# 91 GLN QG 96 ARG+ HG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1318,1319,
&end
#
# 91 GLN QG 96 ARG+ HG3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1318,1319,
&end
#
# 91 GLN QG 96 ARG+ QD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1318,1319,
igr2=1403,1404,
&end
#
# 91 GLN QG 96 ARG+ QG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1318,1319,
igr2=1400,1401,
&end
#
# 92 ILE HA 92 ILE HG12 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1330,1338, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 92 ILE HA 92 ILE HG13 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1330,1339, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 92 ILE HA 92 ILE QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1341,1342,1343,
&end
#
# 92 ILE HA 92 ILE QG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1334,1335,1336,
&end
#
# 92 ILE HA 93 GLY HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1330,1347, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 92 ILE HA 93 GLY HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1330,1347, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 92 ILE HB 92 ILE QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1341,1342,1343,
&end
#
# 92 ILE HB 93 GLY HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1332,1347, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 92 ILE HG12 93 GLY HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1338,1347, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 92 ILE HG13 93 GLY HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1339,1347, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 92 ILE HN 92 ILE HB 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 92 ILE HN 92 ILE HG12 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1328,1338, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 92 ILE HN 92 ILE HG13 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1328,1339, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 92 ILE HN 92 ILE QG2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1334,1335,1336,
&end
#
# 92 ILE HN 95 LYS+ HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1328,1371, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 92 ILE HN 95 LYS+ QG 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1378,1379,
&end
#
# 92 ILE HN 96 ARG+ HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1328,1395, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 92 ILE HN 96 ARG+ QG 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1400,1401,
&end
#
# 92 ILE HN 97 LEU HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1328,1417, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 92 ILE QG2 92 ILE HG12 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1334,1335,1336,
&end
#
# 92 ILE QG2 92 ILE HG13 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1334,1335,1336,
&end
#
# 92 ILE QG2 93 GLY HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1334,1335,1336,
&end
#
# 92 ILE QG2 97 LEU HG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1334,1335,1336,
&end
#
# 94 MET HA 94 MET HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 94 MET HA 94 MET HG3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1356,1362, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 94 MET HA 94 MET QE 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1365,1366,1367,
&end
#
# 94 MET HA 94 MET QG 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1361,1362,
&end
#
# 94 MET HN 94 MET HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1354,1356, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 94 MET HN 94 MET QG 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1361,1362,
&end
#
# 94 MET HN 95 LYS+ HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1354,1371, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 95 LYS+ HA 95 LYS+ HD2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1373,1381, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 95 LYS+ HA 95 LYS+ HD3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1373,1382, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 95 LYS+ HA 95 LYS+ HG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1373,1378, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 95 LYS+ HA 95 LYS+ HG3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1373,1379, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 95 LYS+ HA 95 LYS+ QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1378,1379,
&end
#
# 95 LYS+ HA 96 ARG+ HN 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat=1373,1393, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 95 LYS+ HB2 96 ARG+ HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1375,1393, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 95 LYS+ HB3 96 ARG+ HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1376,1393, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 95 LYS+ HN 95 LYS+ HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1371,1375, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 95 LYS+ HN 95 LYS+ HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1371,1376, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 95 LYS+ HN 95 LYS+ HG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1371,1378, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 95 LYS+ HN 95 LYS+ HG3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1371,1379, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 95 LYS+ HN 95 LYS+ QB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1375,1376,
&end
#
# 95 LYS+ HN 95 LYS+ QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1381,1382,
&end
#
# 95 LYS+ HN 95 LYS+ QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1378,1379,
&end
#
# 96 ARG+ HA 97 LEU HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1395,1417, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 96 ARG+ HB2 96 ARG+ QD 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1403,1404,
&end
#
# 96 ARG+ HB2 97 LEU HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1397,1417, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 96 ARG+ HB3 97 LEU HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1398,1417, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 96 ARG+ HN 96 ARG+ HB2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1393,1397, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 96 ARG+ HN 96 ARG+ HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1393,1398, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 96 ARG+ HN 96 ARG+ QG 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1400,1401,
&end
#
# 97 LEU HA 97 LEU QD2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1430,1431,1432,
&end
#
# 97 LEU HB2 97 LEU QD1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1426,1427,1428,
&end
#
# 97 LEU HB2 97 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1430,1431,1432,
&end
#
# 97 LEU HB3 97 LEU QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1426,1427,1428,
&end
#
# 97 LEU HB3 97 LEU QD2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1430,1431,1432,
&end
#
# 97 LEU HB3 98 LYS+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1422,1436, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 97 LEU HB3 99 VAL QG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1468,1469,1470,
&end
#
# 97 LEU HN 97 LEU HB2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1417,1421, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 97 LEU HN 97 LEU HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1417,1422, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 97 LEU HN 97 LEU HG 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1417,1424, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 97 LEU HN 97 LEU QD1 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1426,1427,1428,
&end
#
# 97 LEU HN 97 LEU QD2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1430,1431,1432,
&end
#
# 97 LEU QD2 98 LYS+ HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1430,1431,1432,
&end
#
# 98 LYS+ HA 98 LYS+ QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1446,1447,
&end
#
# 98 LYS+ HA 99 VAL HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1438,1458, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 98 LYS+ HN 98 LYS+ QG 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1443,1444,
&end
#
# 98 LYS+ QG 99 VAL HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1443,1444,
&end
#
# 99 VAL HA 100 GLN HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1460,1474, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 99 VAL HN 99 VAL HB 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1458,1462, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 99 VAL HN 99 VAL QG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1468,1469,1470,
&end
#
# 99 VAL QG1 100 GLN HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1464,1465,1466,
&end
#
# 100 GLN HA 101 LEU HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1476,1491, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 100 GLN HN 100 GLN QG 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1481,1482,
&end
#
# 100 GLN QB 101 LEU HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1478,1479,
&end
#
# 100 GLN QG 101 LEU HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1481,1482,
&end
#
# 101 LEU HA 101 LEU QD2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1504,1505,1506,
&end
#
# 101 LEU HA 102 LYS+ HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1493,1510, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 101 LEU HB2 101 LEU QD1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1500,1501,1502,
&end
#
# 101 LEU HB2 101 LEU QD2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1504,1505,1506,
&end
#
# 101 LEU HB3 101 LEU QD1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1500,1501,1502,
&end
#
# 101 LEU HB3 101 LEU QD2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1504,1505,1506,
&end
#
# 101 LEU HN 101 LEU HB2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1491,1495, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 101 LEU HN 101 LEU HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1491,1496, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 101 LEU HN 101 LEU HG 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1491,1498, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 101 LEU HN 101 LEU QB 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1495,1496,
&end
#
# 101 LEU HN 101 LEU QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1500,1501,1502,
&end
#
# 101 LEU HN 101 LEU QD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1504,1505,1506,
&end
#
# 101 LEU QD2 102 LYS+ HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1504,1505,1506,
&end
#
# 102 LYS HA 103 ARG HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1512,1532, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 102 LYS+ HB2 103 ARG+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1514,1532, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 102 LYS+ HB3 103 ARG+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1515,1532, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 102 LYS+ HN 102 LYS+ HG2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1510,1517, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 102 LYS+ HN 102 LYS+ HG3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1510,1518, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 102 LYS+ HN 102 LYS+ QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1514,1515,
&end
#
# 102 LYS+ HN 102 LYS+ QG 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1517,1518,
&end
#
# 102 LYS+ QB 103 ARG+ HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1514,1515,
&end
#
# 103 ARG+ HA 103 ARG+ HG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1534,1539, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 103 ARG+ HA 103 ARG+ HG3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1534,1540, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 103 ARG+ HA 103 ARG+ QD 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1542,1543,
&end
#
# 103 ARG+ HA 104 SER HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1534,1556, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 103 ARG+ HB2 103 ARG+ QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1542,1543,
&end
#
# 103 ARG+ HB2 104 SER HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1536,1556, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 103 ARG+ HB3 103 ARG+ QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1542,1543,
&end
#
# 103 ARG+ HB3 104 SER HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1537,1556, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 103 ARG+ HG2 104 SER HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat=1539,1556, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 103 ARG+ HG3 104 SER HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat=1540,1556, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 103 ARG HN 103 ARG HA 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1532,1534, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 103 ARG+ HN 103 ARG+ HG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1532,1539, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 103 ARG+ HN 103 ARG+ HG3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1532,1540, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 103 ARG+ QB 103 ARG+ QD 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1536,1537,
igr2=1542,1543,
&end
#
# 103 ARG+ QB 104 SER HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1536,1537,
&end
#
# 104 SER HN 104 SER HB2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1556,1560, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 104 SER HN 104 SER HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1556,1561, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 104 SER HN 104 SER QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1560,1561,
&end
#
# 105 LYS+ HA 105 LYS+ QG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1574,1575,
&end
#
# 105 LYS+ HN 105 LYS+ QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1571,1572,
&end
#
# 105 LYS+ HN 105 LYS+ QG 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1574,1575,
&end
#
# 107 ASP- QB 108 SER HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1607,1608,
&end
#
# 111 GLY HA2 112 PROO QD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1667,1668,
&end
#
# 111 GLY HA3 112 PROO QD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1667,1668,
&end
#
# 111 GLY QA 112 PROO QD 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1661,1662,
igr2=1667,1668,
&end
#
# 116 RU H1' 116 RU H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1718,1733, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 RU H1' 116 RU H3' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 RU H1' 116 RU H4' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1718,1715, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 RU H1' 116 RU H5'1 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1712, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 116 RU H1' 116 RU H5'2 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1713, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 116 RU H1' 116 RU H5'1 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1712, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 116 RU H1' 116 RU H5'2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1713, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 116 RU H1' 117 RG H4' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1745, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H1' 117 RG Q5' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1742,1743,
&end
#
# 116 RU H1' 67 LYS HA 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1718, 966, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 116 RU H1' 67 LYS HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1718, 966, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 116 RU H1' 67 LYS HE2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1718, 977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 RU H1' 67 LYS HE3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1718, 978, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 RU H1' 67 LYS QB 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 968, 969,
&end
#
# 116 RU H1' 67 LYS QB 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 968, 969,
&end
#
# 116 RU H1' 67 LYS QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 974, 975,
&end
#
# 116 RU H1' 67 LYS QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 974, 975,
&end
#
# 116 RU H1' 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1007,1011,
&end
#
# 116 RU H2'1 67 LYS HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1733, 968, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H2'1 67 LYS HB3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1733, 969, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H2'1 67 LYS HD2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1733, 974, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H2'1 67 LYS HD3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1733, 975, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H2'1 67 LYS HE2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1733, 977, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H2'1 67 LYS HE3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1733, 978, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H2'1 67 LYS HG2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1733, 971, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H2'1 67 LYS HG3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1733, 972, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H4' 117 RG H4' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1715,1745, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H4' 117 RG Q5' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1742,1743,
&end
#
# 116 RU H4' 67 LYS HE2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1715, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 RU H4' 67 LYS HE3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1715, 978, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 RU H4' 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1007,1011,
&end
#
# 116 RU H5 118 RU Q5' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1776,1777,
&end
#
# 116 RU H5 35 GLN HE21 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 473, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 35 GLN HE22 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 474, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 58 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 828, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 58 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 824, 832,
&end
#
# 116 RU H5 58 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 826, 830,
&end
#
# 116 RU H5 62 GLN HE21 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 901, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 62 GLN HE22 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 902, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 63 THR QG2 5.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 5.00, r2= 5.50, r3=120.09, r4=120.59,
igr2= 912, 913, 914,
&end
#
# 116 RU H5 65 LEU QD1 5.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 5.00, r2= 5.50, r3=120.09, r4=120.59,
igr2= 943, 944, 945,
&end
#
# 116 RU H5 65 LEU QD2 5.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 5.00, r2= 5.50, r3=120.09, r4=120.59,
igr2= 947, 948, 949,
&end
#
# 116 RU H5 67 LYS HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 966, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 67 LYS HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 968, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 67 LYS HB3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 969, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 67 LYS HE2 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 977, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 67 LYS HE2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 977, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 116 RU H5 67 LYS HE3 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 978, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 67 LYS HE3 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 978, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 116 RU H5 67 LYS HG2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 971, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 67 LYS HG3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 972, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 67 LYS QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 974, 975,
&end
#
# 116 RU H5 67 LYS QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 974, 975,
&end
#
# 116 RU H5 68 CYS HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 990, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 68 CYS HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, 990, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 69 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723,1009, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H5 69 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1005,1013,
&end
#
# 116 RU H5 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1007,1011,
&end
#
# 116 RU H6 116 RU H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1721,1733, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 RU H6 116 RU H5'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1721,1712, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 RU H6 116 RU H5'2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1721,1713, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 RU H6 58 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 828, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 58 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 824, 832,
&end
#
# 116 RU H6 58 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 826, 830,
&end
#
# 116 RU H6 63 THR QG2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 4.50, r2= 5.00, r3=120.09, r4=120.59,
igr2= 912, 913, 914,
&end
#
# 116 RU H6 67 LYS HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 966, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 67 LYS HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 968, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 67 LYS HB3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 969, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 67 LYS HD2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 974, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 67 LYS HD3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 975, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 67 LYS HE2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 977, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 67 LYS HE3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 978, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 67 LYS HG2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 971, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 67 LYS HG3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 972, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 69 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1009, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 116 RU H6 69 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1005,1013,
&end
#
# 116 RU H6 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1007,1011,
&end
#
# 116 RU Q5' 67 LYS HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 67 LYS HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 67 LYS HB3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 67 LYS HD2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 67 LYS HD3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 67 LYS HE2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 67 LYS HE3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 67 LYS HG2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 67 LYS HG3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 68 CYS HB2 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 68 CYS HB3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 69 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1=1712,1713,
&end
#
# 116 RU Q5' 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3=125.99, r4=126.49,
igr1=1712,1713,
igr2=1007,1011,
&end
#
# 117 RG H1' 118 RU H5 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1787, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 RG H1' 118 RU H6 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1785, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 117 RG H1' 118 RU H6 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1785, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 117 RG H1' 29 PHE HZ 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1748, 363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 RG H1' 29 PHE QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 361, 365,
&end
#
# 117 RG H1' 31 TYR QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 398, 407,
&end
#
# 117 RG H1' 69 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1009, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 117 RG H1' 69 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1005,1013,
&end
#
# 117 RG H1' 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1007,1011,
&end
#
# 117 RG H4' 69 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1007,1011,
&end
#
# 117 RG H8 117 RG H1' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1751,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 RG H8 29 PHE HZ 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1751, 363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 RG H8 29 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 361, 365,
&end
#
# 117 RG H8 31 TYR QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 400, 405,
&end
#
# 117 RG H8 31 TYR QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 400, 405,
&end
#
# 117 RG H8 98 LYS QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2=1449,1450,
&end
#
# 117 RG H8 98 LYS QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1449,1450,
&end
#
# 118 RU H1' 118 RU H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1782,1797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 RU H1' 118 RU H3' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1782,1795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 RU H1' 118 RU H4' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1782,1779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 RU H1' 119 RG Q5' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1782, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1806,1807,
&end
#
# 118 RU H1' 29 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 359, 367,
&end
#
# 118 RU H1' 71 PHE HZ 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1782,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 RU H1' 71 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1032,1040,
&end
#
# 118 RU H1' 71 PHE QE 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1034,1038,
&end
#
# 118 RU H2'1 103 ARG QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1797, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2=1542,1543,
&end
#
# 118 RU H2'1 103 ARG QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1797, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1542,1543,
&end
#
# 118 RU H3' 69 PHE HZ 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1795,1009, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 118 RU H3' 69 PHE HZ 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1795,1009, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 118 RU H3' 69 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1007,1011,
&end
#
# 118 RU H4' 69 PHE QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2=1005,1013,
&end
#
# 118 RU H4' 69 PHE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1005,1013,
&end
#
# 118 RU H4' 69 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1007,1011,
&end
#
# 118 RU H4' 71 PHE HZ 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1779,1036, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 RU H4' 71 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1034,1038,
&end
#
# 118 RU H5 103 ARG QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2=1542,1543,
&end
#
# 118 RU H5 103 ARG QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1542,1543,
&end
#
# 118 RU H5 117 RG H2'1 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787,1767, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 118 RU H5 118 RU H2'1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1787,1797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 RU H5 29 PHE HZ 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1787, 363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 RU H5 29 PHE QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 361, 365,
&end
#
# 118 RU H5 29 PHE QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 361, 365,
&end
#
# 118 RU H5 31 TYR QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 400, 405,
&end
#
# 118 RU H5 31 TYR QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 400, 405,
&end
#
# 118 RU H5 69 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787,1009, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 118 RU H5 69 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1005,1013,
&end
#
# 118 RU H5 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1007,1011,
&end
#
# 118 RU H5 71 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787,1036, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 118 RU H5 71 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1032,1040,
&end
#
# 118 RU H5 71 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1034,1038,
&end
#
# 118 RU H6 103 ARG QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2=1542,1543,
&end
#
# 118 RU H6 103 ARG QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1542,1543,
&end
#
# 118 RU H6 118 RU H1' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1785,1782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 RU H6 118 RU H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1785,1797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 RU H6 118 RU H3' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1785,1795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 RU H6 69 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1785,1009, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 118 RU H6 69 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1005,1013,
&end
#
# 118 RU H6 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1007,1011,
&end
#
# 118 RU H6 71 PHE HZ 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1785,1036, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 118 RU H6 71 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1032,1040,
&end
#
# 118 RU H6 71 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1034,1038,
&end
#
# 119 RG H1' 119 RG H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1812,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 RG H1' 119 RG H3' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812,1829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 119 RG H4' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812,1809, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 119 RG H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812,1815, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 120 RU H5 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812,1851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 120 RU H6 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1812,1849, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 119 RG H1' 120 RU H6 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1812,1849, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 119 RG H1' 120 RU Q5' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1840,1841,
&end
#
# 119 RG H1' 19 GLN QG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 218, 219,
&end
#
# 119 RG H1 21 GLU HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1821, 252, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1 21 GLU HB2 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1821, 254, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 119 RG H1 21 GLU HB3 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1821, 255, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 119 RG H1 21 GLU HG2 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1821, 257, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 119 RG H1 21 GLU HG3 3.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1821, 258, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 119 RG H1' 21 GLU QG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 257, 258,
&end
#
# 119 RG H1 54 SER HG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1821, 764, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 56 LYS HB2 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 782, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 119 RG H1' 56 LYS HB2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 782, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 119 RG H1' 56 LYS HB3 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 783, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 119 RG H1' 56 LYS HB3 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 783, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 119 RG H1' 56 LYS HD2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 788, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 56 LYS HD3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 56 LYS HE2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 791, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 56 LYS HE3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 56 LYS HG2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 56 LYS HG3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, 786, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1' 71 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1032,1040,
&end
#
# 119 RG H1' 71 PHE QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2=1034,1038,
&end
#
# 119 RG H1' 71 PHE QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1034,1038,
&end
#
# 119 RG H1 73 SER HG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1821,1067, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H1 73 SER QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1064,1065,
&end
#
# 119 RG H2'1 119 RG H1' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1831,1812, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 RG H2'1 119 RG H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1831,1815, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H2'1 19 GLN HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1831, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H2'1 19 GLN HB3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1831, 216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H2'1 19 GLN HE21 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1831, 223, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 119 RG H2'1 19 GLN HE21 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1831, 223, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 119 RG H2'1 19 GLN HE22 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1831, 224, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 119 RG H2'1 19 GLN HE22 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1831, 224, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 119 RG H2'1 19 GLN QG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 218, 219,
&end
#
# 119 RG H4' 120 RU H5 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1809,1851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 RG H4' 120 RU H5 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1809,1851, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 119 RG H4' 58 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 824, 832,
&end
#
# 119 RG H4' 58 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 826, 830,
&end
#
# 119 RG H8 102 LYS QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1815, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2=1520,1521,
&end
#
# 119 RG H8 102 LYS QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1815, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1520,1521,
&end
#
# 119 RG H8 21 GLU QG 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1815, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 257, 258,
&end
#
# 119 RG H8 21 GLU QG 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1815, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 257, 258,
&end
#
# 119 RG H8 71 PHE QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1815, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2=1034,1038,
&end
#
# 119 RG H8 71 PHE QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1815, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2=1034,1038,
&end
#
# 120 RU H1' 119 RG H4' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1846,1809, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 120 RU H1' 120 RU H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1846,1861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 RU H1' 120 RU H4' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1846,1843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 RU H1' 121 RG H8 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1846,1879, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 120 RU H1' 121 RG H8 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1846,1879, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 120 RU H1' 121 RG Q5' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1870,1871,
&end
#
# 120 RU H1' 58 PHE HZ 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1846, 828, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 RU H1' 58 PHE QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 824, 832,
&end
#
# 120 RU H1' 58 PHE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 824, 832,
&end
#
# 120 RU H1' 58 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 826, 830,
&end
#
# 120 RU H1' 61 LYS QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 877, 878,
&end
#
# 120 RU H1' 61 LYS QE 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 880, 881,
&end
#
# 120 RU H1' 61 LYS QG 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 874, 875,
&end
#
# 120 RU H1' 61 LYS QG 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 874, 875,
&end
#
# 120 RU H2'1 120 RU H5 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1861,1851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 RU H2'1 120 RU H6 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1861,1849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 RU H2'1 56 LYS HE2 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1861, 791, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 120 RU H2'1 56 LYS HE2 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1861, 791, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 120 RU H2'1 56 LYS HE3 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1861, 792, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 120 RU H2'1 56 LYS HE3 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1861, 792, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 120 RU H2'1 58 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1861, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 826, 830,
&end
#
# 120 RU H2'1 61 LYS QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1861, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 880, 881,
&end
#
# 120 RU H4' 119 RG H4' 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1809, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 120 RU H5 56 LYS HD2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1851, 788, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 RU H5 56 LYS HD3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1851, 789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 RU H5 56 LYS HE2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1851, 791, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 RU H5 56 LYS HE3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1851, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 RU H5 56 LYS QG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 785, 786,
&end
#
# 120 RU H5 58 PHE HA 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1851, 818, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 120 RU H5 58 PHE HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1851, 818, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 120 RU H5 58 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 824, 832,
&end
#
# 120 RU H5 58 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 826, 830,
&end
#
# 120 RU H5 71 PHE HZ 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1851,1036, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 120 RU H5 71 PHE QD 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1851, -1, r1= 4.00, r2= 4.50, r3=112.25, r4=112.75,
igr2=1032,1040,
&end
#
# 120 RU H5 71 PHE QE 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1851, -1, r1= 4.00, r2= 4.50, r3=112.25, r4=112.75,
igr2=1034,1038,
&end
#
# 120 RU H6 119 RG H4' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1849,1809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 RU H6 56 LYS HE2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1849, 791, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 RU H6 56 LYS HE3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1849, 792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 RU H6 58 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 826, 830,
&end
#
# 120 RU H6 71 PHE HZ 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1849,1036, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 120 RU H6 71 PHE QD 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 4.00, r2= 4.50, r3=112.25, r4=112.75,
igr2=1032,1040,
&end
#
# 120 RU H6 71 PHE QE 4.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 4.00, r2= 4.50, r3=112.25, r4=112.75,
igr2=1034,1038,
&end
#
# 121 RG H1' 120 RU H2'1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1876,1861, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 RG H1' 121 RG H2'1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1876,1895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 RG H1' 121 RG H3' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1876,1893, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 RG H1' 121 RG H4' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1876,1873, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 RG H1' 61 LYS HA 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1876, 869, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 121 RG H1' 61 LYS HA 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1876, 869, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 121 RG H1' 61 LYS HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1876, 871, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 RG H1' 61 LYS HB3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1876, 872, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 RG H1' 61 LYS QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 877, 878,
&end
#
# 121 RG H1' 61 LYS QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 877, 878,
&end
#
# 121 RG H1' 61 LYS QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 880, 881,
&end
#
# 121 RG H1' 61 LYS QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 880, 881,
&end
#
# 121 RG H1' 61 LYS QG 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 874, 875,
&end
#
# 121 RG H2'1 61 LYS HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1895, 869, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 121 RG H2'1 61 LYS QB 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 871, 872,
&end
#
# 121 RG H2'1 61 LYS QD 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 877, 878,
&end
#
# 121 RG H2'1 61 LYS QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 877, 878,
&end
#
# 121 RG H2'1 61 LYS QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 880, 881,
&end
#
# 121 RG H2'1 61 LYS QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 880, 881,
&end
#
# 121 RG H2'1 61 LYS QG 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2= 874, 875,
&end
#
# 121 RG H4' 61 LYS QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1873, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 880, 881,
&end
#
# 121 RG H4' 61 LYS QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1873, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 880, 881,
&end
#
# 121 RG H8 120 RU H1' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1879,1846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 RG H8 120 RU H2'1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1879,1861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 RG H8 121 RG H3' 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1879,1893, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 RG H8 121 RG H4' 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1879,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 RG H8 61 LYS QE 3.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1879, -1, r1= 2.50, r2= 3.00, r3=112.25, r4=112.75,
igr2= 880, 881,
&end
#
# 121 RG H8 61 LYS QE 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1879, -1, r1= 2.50, r2= 3.00, r3= 6.73, r4= 7.23,
igr2= 880, 881,
&end
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