NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20994 |
2gvp   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 5 LYS+ HN 5 LYS+ QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr2= 63, 64,
&end
#
# 5 LYS+ HA 5 LYS+ QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 66, 67,
&end
#
# 5 LYS+ HB2 5 LYS+ QE 6.20
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2= 69, 70,
&end
#
# 5 LYS+ HB3 5 LYS+ QE 6.20
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2= 69, 70,
&end
#
# 5 LYS+ QB 5 LYS+ QE 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 60, 61,
igr2= 69, 70,
&end
#
# 7 LEU HN 7 LEU HG 4.30
&rst
ixpk= 0, nxpk= 0, iat= 92, 99, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 LEU HN 7 LEU QD1 6.60
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 101, 102, 103,
&end
#
# 7 LEU HN 7 LEU QD2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 105, 106, 107,
&end
#
# 7 LEU HN 8 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 92, 111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 LEU HA 7 LEU QD1 6.30
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 101, 102, 103,
&end
#
# 7 LEU HA 7 LEU QD2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 105, 106, 107,
&end
#
# 7 LEU HB2 7 LEU HG 2.90
&rst
ixpk= 0, nxpk= 0, iat= 96, 99, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 7 LEU HB2 8 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 96, 111, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 7 LEU HB3 7 LEU HG 2.90
&rst
ixpk= 0, nxpk= 0, iat= 97, 99, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 7 LEU HB3 8 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 97, 111, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 7 LEU QB 7 LEU HG 2.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr1= 96, 97,
&end
#
# 7 LEU QB 8 LEU HN 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 96, 97,
&end
#
# 7 LEU HG 8 LEU HN 6.40
&rst
ixpk= 0, nxpk= 0, iat= 99, 111, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 8 LEU HN 8 LEU HG 5.40
&rst
ixpk= 0, nxpk= 0, iat= 111, 118, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 8 LEU HN 8 LEU QD1 6.30
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 120, 121, 122,
&end
#
# 8 LEU HN 8 LEU QD2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 124, 125, 126,
&end
#
# 8 LEU HN 8 LEU QQD 5.85
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr2= 124, 125, 126, 120, 121, 122,
&end
#
# 8 LEU HA 8 LEU QD1 6.80
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2= 120, 121, 122,
&end
#
# 8 LEU HA 8 LEU QD2 6.80
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2= 124, 125, 126,
&end
#
# 8 LEU HB2 9 GLY HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 8 LEU HB3 9 GLY HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 116, 130, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 8 LEU QB 9 GLY HN 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 115, 116,
&end
#
# 8 LEU HG 9 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 118, 130, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 8 LEU QD1 9 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD2 9 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 124, 125, 126,
&end
#
# 9 GLY HN 112 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1756,1757,1758,
&end
#
# 9 GLY HN 113 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1770,1779,
&end
#
# 9 GLY HN 113 TYR QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1772,1777,
&end
#
# 10 GLY HN 11 PRO QD 7.08
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2= 145, 146,
&end
#
# 10 GLY HN 112 ALA QB 7.20
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1756,1757,1758,
&end
#
# 10 GLY HN 113 TYR QE 8.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1772,1777,
&end
#
# 10 GLY HN 113 TYR HH 6.50
&rst
ixpk= 0, nxpk= 0, iat= 137,1775, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 11 PRO HA 24 ASP- HN 6.40
&rst
ixpk= 0, nxpk= 0, iat= 154, 349, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 11 PRO HA 25 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 154, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 11 PRO HA 108 GLN QE2 7.47
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr2=1697,1698,
&end
#
# 11 PRO HB2 12 PHE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 151, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PRO HB3 12 PHE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 152, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PRO QB 12 PHE HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 151, 152,
&end
#
# 11 PRO HG2 108 GLN HE21 6.60
&rst
ixpk= 0, nxpk= 0, iat= 148,1697, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 11 PRO HG2 108 GLN HE22 6.60
&rst
ixpk= 0, nxpk= 0, iat= 148,1698, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 11 PRO HG3 108 GLN HE21 6.60
&rst
ixpk= 0, nxpk= 0, iat= 149,1697, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 11 PRO HG3 108 GLN HE22 6.60
&rst
ixpk= 0, nxpk= 0, iat= 149,1698, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 11 PRO QG 12 PHE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 148, 149,
&end
#
# 11 PRO QG 108 GLN QE2 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 148, 149,
igr2=1697,1698,
&end
#
# 11 PRO QD 108 GLN QE2 8.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.26, r4=10.76,
igr1= 145, 146,
igr2=1697,1698,
&end
#
# 12 PHE HN 12 PHE QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 168, 172,
&end
#
# 12 PHE HN 12 PHE HZ 6.60
&rst
ixpk= 0, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 12 PHE HN 13 SER HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 158, 178, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 12 PHE HN 23 THR HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 158, 337, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 12 PHE HN 23 THR HB 6.30
&rst
ixpk= 0, nxpk= 0, iat= 158, 339, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 12 PHE HN 23 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 341, 342, 343,
&end
#
# 12 PHE HN 24 ASP- HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 158, 349, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 12 PHE HN 24 ASP- HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 158, 351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 12 PHE HN 25 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 158, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 12 PHE HA 108 GLN HE21 6.30
&rst
ixpk= 0, nxpk= 0, iat= 160,1697, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 12 PHE HA 108 GLN HE22 6.30
&rst
ixpk= 0, nxpk= 0, iat= 160,1698, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 12 PHE HA 108 GLN QE2 6.04
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr2=1697,1698,
&end
#
# 12 PHE HA 109 VAL HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 160,1704, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 12 PHE HA 109 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 160,1706, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 12 PHE HA 109 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 12 PHE QB 14 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 162, 163,
&end
#
# 12 PHE QB 14 LEU QQD 10.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
igr1= 162, 163,
igr2= 202, 203, 204, 198, 199, 200,
&end
#
# 12 PHE QB 108 GLN QE2 8.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.67, r4=11.17,
igr1= 162, 163,
igr2=1697,1698,
&end
#
# 12 PHE QB 109 VAL HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 162, 163,
&end
#
# 12 PHE QB 109 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
igr1= 162, 163,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 12 PHE QD 13 SER HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 166, 174,
&end
#
# 12 PHE QD 13 SER HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 166, 174,
&end
#
# 12 PHE QD 14 LEU HN 7.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1= 166, 174,
&end
#
# 12 PHE QD 14 LEU QQD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 166, 174,
igr2= 202, 203, 204, 198, 199, 200,
&end
#
# 12 PHE QD 22 LYS+ HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 166, 174,
&end
#
# 12 PHE QD 23 THR HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 166, 174,
&end
#
# 12 PHE QD 24 ASP- HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 166, 174,
&end
#
# 12 PHE QD 99 LEU QQD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 166, 174,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 12 PHE QD 109 VAL QQG 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1= 166, 174,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 12 PHE QE 13 SER HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 168, 172,
&end
#
# 12 PHE QE 14 LEU HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 168, 172,
&end
#
# 12 PHE QE 14 LEU QQD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 168, 172,
igr2= 202, 203, 204, 198, 199, 200,
&end
#
# 12 PHE QE 23 THR HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 168, 172,
&end
#
# 12 PHE QE 23 THR HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 168, 172,
&end
#
# 12 PHE QE 24 ASP- HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 168, 172,
&end
#
# 12 PHE QE 24 ASP- HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 168, 172,
&end
#
# 12 PHE QE 25 LYS+ HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 168, 172,
&end
#
# 12 PHE QE 32 LEU QQD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 168, 172,
igr2= 496, 497, 498, 492, 493, 494,
&end
#
# 12 PHE QE 71 LEU QQD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 168, 172,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 12 PHE QE 99 LEU QQD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 168, 172,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 12 PHE QE 109 VAL QQG 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1= 168, 172,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 12 PHE HZ 24 ASP- HA 6.40
&rst
ixpk= 0, nxpk= 0, iat= 170, 351, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 12 PHE HZ 71 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 12 PHE HZ 73 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1149,1150,1151,
&end
#
# 12 PHE HZ 99 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 12 PHE HZ 109 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 13 SER HN 14 LEU HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 13 SER HN 14 LEU HG 5.30
&rst
ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 13 SER HN 14 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 198, 199, 200,
&end
#
# 13 SER HN 14 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 202, 203, 204,
&end
#
# 13 SER HN 105 GLU- HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 178,1644, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 13 SER HN 105 GLU- QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1646,1647,
&end
#
# 13 SER HN 108 GLN HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 178,1689, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 13 SER HN 108 GLN HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 178,1690, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 13 SER HN 108 GLN HG2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 178,1692, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 13 SER HN 108 GLN HG3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 178,1693, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 13 SER HN 109 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 13 SER HA 22 LYS+ HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 180, 313, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 13 SER HA 23 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 SER HA 23 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 341, 342, 343,
&end
#
# 13 SER HA 24 ASP- HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 180, 349, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 13 SER HB2 14 LEU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 182, 189, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 13 SER HB2 23 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 341, 342, 343,
&end
#
# 13 SER HB3 14 LEU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 183, 189, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 13 SER HB3 23 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 341, 342, 343,
&end
#
# 14 LEU HN 14 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 LEU HN 14 LEU QD1 6.30
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 198, 199, 200,
&end
#
# 14 LEU HN 14 LEU QD2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 202, 203, 204,
&end
#
# 14 LEU HN 14 LEU QQD 5.80
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr2= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU HN 21 ARG+ HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 189, 299, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 14 LEU HN 21 ARG+ HD3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 189, 300, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 14 LEU HN 22 LYS+ HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 189, 313, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 14 LEU HN 23 THR HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 189, 337, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 14 LEU HN 23 THR HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 189, 339, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 14 LEU HN 23 THR QG2 6.70
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr2= 341, 342, 343,
&end
#
# 14 LEU HA 14 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 198, 199, 200,
&end
#
# 14 LEU HA 14 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 202, 203, 204,
&end
#
# 14 LEU HA 100 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 191,1568, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 14 LEU HB2 15 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 LEU HB3 15 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 LEU QB 100 THR HN 6.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 193, 194,
&end
#
# 14 LEU QB 109 VAL QQG 8.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.77, r4=13.27,
igr1= 193, 194,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 14 LEU HG 15 THR HN 6.40
&rst
ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 14 LEU HG 100 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 196,1568, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 14 LEU QD1 15 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 198, 199, 200,
&end
#
# 14 LEU QD1 99 LEU HB2 8.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 198, 199, 200,
&end
#
# 14 LEU QD1 99 LEU HB3 8.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 198, 199, 200,
&end
#
# 14 LEU QD1 101 GLY HA2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 198, 199, 200,
&end
#
# 14 LEU QD1 101 GLY HA3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 198, 199, 200,
&end
#
# 14 LEU QD1 109 VAL QG1 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
igr1= 198, 199, 200,
igr2=1708,1709,1710,
&end
#
# 14 LEU QD1 109 VAL QG2 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
igr1= 198, 199, 200,
igr2=1712,1713,1714,
&end
#
# 14 LEU QD2 15 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 202, 203, 204,
&end
#
# 14 LEU QD2 99 LEU HB2 8.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 202, 203, 204,
&end
#
# 14 LEU QD2 99 LEU HB3 8.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
igr1= 202, 203, 204,
&end
#
# 14 LEU QD2 101 GLY HA2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 202, 203, 204,
&end
#
# 14 LEU QD2 101 GLY HA3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 202, 203, 204,
&end
#
# 14 LEU QD2 109 VAL QG1 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
igr1= 202, 203, 204,
igr2=1708,1709,1710,
&end
#
# 14 LEU QD2 109 VAL QG2 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
igr1= 202, 203, 204,
igr2=1712,1713,1714,
&end
#
# 14 LEU QQD 15 THR HN 7.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 73 ILE HB 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 73 ILE QD1 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
igr1= 202, 203, 204, 198, 199, 200,
igr2=1149,1150,1151,
&end
#
# 14 LEU QQD 99 LEU HA 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 99 LEU QB 6.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.32, r4=10.82,
igr1= 202, 203, 204, 198, 199, 200,
igr2=1553,1554,
&end
#
# 14 LEU QQD 99 LEU HG 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 100 THR HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 100 THR HA 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 101 GLY QA 9.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
igr1= 202, 203, 204, 198, 199, 200,
igr2=1584,1585,
&end
#
# 14 LEU QQD 102 THR HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 105 GLU- HA 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 109 VAL HN 8.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 109 VAL HB 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 202, 203, 204, 198, 199, 200,
&end
#
# 14 LEU QQD 109 VAL QQG 9.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.68, r4=17.18,
igr1= 202, 203, 204, 198, 199, 200,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 15 THR HN 99 LEU HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 208,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 15 THR HN 99 LEU QB 7.18
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr2=1553,1554,
&end
#
# 15 THR HN 100 THR HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 208,1568, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 15 THR HN 100 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1574,1575,1576,
&end
#
# 15 THR HA 21 ARG+ HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 210, 291, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 15 THR HA 21 ARG+ HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 210, 296, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 15 THR HA 21 ARG+ HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 210, 297, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 15 THR HA 21 ARG+ QG 6.34
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 296, 297,
&end
#
# 15 THR HA 21 ARG+ QD 7.48
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2= 299, 300,
&end
#
# 15 THR HA 22 LYS+ HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 210, 313, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 15 THR HA 100 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 210,1568, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 15 THR HB 16 THR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 212, 222, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 15 THR HB 19 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 212, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 15 THR HB 22 LYS+ HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 212, 313, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 THR HB 82 LYS+ QG 7.48
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1283,1284,
&end
#
# 15 THR HB 99 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 15 THR HB 100 THR HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 212,1568, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 15 THR HB 100 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1574,1575,1576,
&end
#
# 15 THR QG2 16 THR HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 214, 215, 216,
&end
#
# 15 THR QG2 17 HIST HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 214, 215, 216,
&end
#
# 15 THR QG2 18 THR HN 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr1= 214, 215, 216,
&end
#
# 15 THR QG2 19 GLY HN 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1= 214, 215, 216,
&end
#
# 15 THR QG2 19 GLY HA2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 214, 215, 216,
&end
#
# 15 THR QG2 19 GLY HA3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 214, 215, 216,
&end
#
# 15 THR QG2 20 GLU- HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 214, 215, 216,
&end
#
# 15 THR QG2 21 ARG+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 214, 215, 216,
&end
#
# 16 THR HN 16 THR HG1 5.60
&rst
ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 16 THR HN 17 HIST HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 16 THR HN 18 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 222, 253, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HN 19 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 222, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HN 20 GLU- HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 222, 274, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 16 THR HN 20 GLU- HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 222, 276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HN 20 GLU- QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 278, 279,
&end
#
# 16 THR HN 21 ARG+ HA 6.30
&rst
ixpk= 0, nxpk= 0, iat= 222, 291, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 16 THR HN 21 ARG+ QG 7.48
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2= 296, 297,
&end
#
# 16 THR HN 99 LEU HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 222,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HN 99 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 16 THR HA 18 THR HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 224, 253, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 16 THR HA 97 VAL HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 224,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HA 97 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 16 THR HA 99 LEU HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 224,1551, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HA 99 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224,1553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 THR HA 99 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 224,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 THR HA 99 LEU QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1553,1554,
&end
#
# 16 THR HA 99 LEU HG 6.60
&rst
ixpk= 0, nxpk= 0, iat= 224,1556, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HA 99 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1558,1559,1560,
&end
#
# 16 THR HA 99 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1562,1563,1564,
&end
#
# 16 THR HA 100 THR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 224,1568, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 THR HB 17 HIST HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 16 THR HB 18 THR HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 226, 253, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 16 THR HB 19 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 226, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HB 20 GLU- HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 226, 274, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 16 THR HB 97 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 16 THR HB 98 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 226,1542, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HB 99 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 16 THR QG2 17 HIST HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 228, 229, 230,
&end
#
# 16 THR QG2 18 THR HN 7.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 228, 229, 230,
&end
#
# 16 THR QG2 20 GLU- HN 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 228, 229, 230,
&end
#
# 16 THR QG2 20 GLU- QG 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1= 228, 229, 230,
igr2= 281, 282,
&end
#
# 16 THR QG2 22 LYS+ QB 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1= 228, 229, 230,
igr2= 317, 318,
&end
#
# 16 THR QG2 99 LEU HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 228, 229, 230,
&end
#
# 16 THR QG2 99 LEU QQD 9.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.17, r4=15.67,
igr1= 228, 229, 230,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 16 THR HG1 17 HIST HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 16 THR HG1 18 THR HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 232, 253, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 THR HG1 19 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 232, 267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 THR HG1 20 GLU- HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 232, 274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 THR HG1 20 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 281, 282,
&end
#
# 17 HIST HN 17 HIST HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 17 HIST HN 18 THR HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 236, 253, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 17 HIST HN 19 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 236, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HN 20 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 236, 274, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HN 86 ALA HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 236,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HN 97 VAL QQG 8.26
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3=11.13, r4=11.63,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 17 HIST HN 98 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 236,1542, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HA 17 HIST HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 238, 249, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HA 18 THR HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 238, 253, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 17 HIST HA 82 LYS+ HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 238,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HA 82 LYS+ HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 238,1280, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HA 82 LYS+ HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 238,1281, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HA 82 LYS+ QG 7.48
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1283,1284,
&end
#
# 17 HIST HA 82 LYS+ QD 7.08
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2=1286,1287,
&end
#
# 17 HIST HA 86 ALA HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 238,1342, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 17 HIST HA 86 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1346,1347,1348,
&end
#
# 17 HIST HB2 18 THR HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 17 HIST HB2 19 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 240, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HB2 82 LYS+ HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 240,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HB2 85 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1329,1330,1331,
&end
#
# 17 HIST HB2 86 ALA HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 240,1342, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 17 HIST HB2 86 ALA HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 240,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HB2 86 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1346,1347,1348,
&end
#
# 17 HIST HB2 98 GLY HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 240,1542, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 17 HIST HB2 98 GLY HA2 8.35
&rst
ixpk= 0, nxpk= 0, iat= 240,1544, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 17 HIST HB2 98 GLY HA3 8.35
&rst
ixpk= 0, nxpk= 0, iat= 240,1545, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 17 HIST HB2 99 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 240,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HB3 18 THR HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 17 HIST HB3 19 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 241, 267, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HB3 82 LYS+ HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 241,1278, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HB3 85 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1329,1330,1331,
&end
#
# 17 HIST HB3 86 ALA HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 241,1342, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 17 HIST HB3 86 ALA HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 241,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HB3 86 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1346,1347,1348,
&end
#
# 17 HIST HB3 98 GLY HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 241,1542, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 17 HIST HB3 98 GLY HA2 8.35
&rst
ixpk= 0, nxpk= 0, iat= 241,1544, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 17 HIST HB3 98 GLY HA3 8.35
&rst
ixpk= 0, nxpk= 0, iat= 241,1545, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 17 HIST HB3 99 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 241,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST QB 18 THR HN 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 240, 241,
&end
#
# 17 HIST QB 19 GLY HN 6.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 240, 241,
&end
#
# 17 HIST QB 89 VAL QQG 10.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
igr1= 240, 241,
igr2=1393,1394,1395,1397,1398,1399,
&end
#
# 17 HIST QB 98 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 240, 241,
&end
#
# 17 HIST QB 98 GLY QA 7.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
igr1= 240, 241,
igr2=1544,1545,
&end
#
# 17 HIST QB 99 LEU HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 240, 241,
&end
#
# 17 HIST HD2 86 ALA HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 249,1342, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 17 HIST HD2 86 ALA HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 249,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HD2 86 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1346,1347,1348,
&end
#
# 17 HIST HE1 86 ALA HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 245,1344, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HE1 97 VAL HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 245,1528, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HE1 97 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 245,1530, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 17 HIST HE1 97 VAL QQG 8.86
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 17 HIST HE1 98 GLY HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 245,1542, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 18 THR HN 18 THR QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 259, 260, 261,
&end
#
# 18 THR HN 19 GLY HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 THR HN 19 GLY HA2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 253, 269, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 18 THR HN 19 GLY HA3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 253, 270, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 18 THR HN 19 GLY QA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 269, 270,
&end
#
# 18 THR HN 20 GLU- HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 18 THR HN 20 GLU- QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 278, 279,
&end
#
# 18 THR HN 20 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 281, 282,
&end
#
# 18 THR HN 97 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 18 THR HN 99 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 18 THR HB 19 GLY HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 18 THR QG2 19 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 259, 260, 261,
&end
#
# 18 THR QG2 20 GLU- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 259, 260, 261,
&end
#
# 18 THR QG2 20 GLU- QG 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1= 259, 260, 261,
igr2= 281, 282,
&end
#
# 19 GLY HN 20 GLU- HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 19 GLY HN 20 GLU- QB 7.30
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2= 278, 279,
&end
#
# 19 GLY HN 20 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 281, 282,
&end
#
# 19 GLY HN 82 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1289,1290,
&end
#
# 19 GLY HA2 82 LYS+ HD2 8.35
&rst
ixpk= 0, nxpk= 0, iat= 269,1286, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 19 GLY HA2 82 LYS+ HD3 8.35
&rst
ixpk= 0, nxpk= 0, iat= 269,1287, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 19 GLY HA2 82 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1289,1290,
&end
#
# 19 GLY HA3 82 LYS+ HD2 8.35
&rst
ixpk= 0, nxpk= 0, iat= 270,1286, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 19 GLY HA3 82 LYS+ HD3 8.35
&rst
ixpk= 0, nxpk= 0, iat= 270,1287, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 19 GLY HA3 82 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1289,1290,
&end
#
# 19 GLY QA 82 LYS+ QG 7.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
igr1= 269, 270,
igr2=1283,1284,
&end
#
# 19 GLY QA 82 LYS+ QD 7.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
igr1= 269, 270,
igr2=1286,1287,
&end
#
# 20 GLU- HN 20 GLU- QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 281, 282,
&end
#
# 20 GLU- HN 21 ARG+ HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 274, 289, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 20 GLU- HA 21 ARG+ HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 276, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 GLU- HA 22 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 276, 313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 20 GLU- QG 21 ARG+ HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 281, 282,
&end
#
# 21 ARG+ HN 21 ARG+ QG 5.58
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 296, 297,
&end
#
# 21 ARG+ HN 21 ARG+ HD2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 289, 299, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 21 ARG+ HN 21 ARG+ HD3 6.30
&rst
ixpk= 0, nxpk= 0, iat= 289, 300, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 21 ARG+ HN 21 ARG+ QD 6.14
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 299, 300,
&end
#
# 21 ARG+ HN 22 LYS+ HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 289, 313, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 21 ARG+ HA 21 ARG+ HD2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 291, 299, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 21 ARG+ HA 21 ARG+ HD3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 21 ARG+ HA 23 THR QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 341, 342, 343,
&end
#
# 21 ARG+ HG2 22 LYS+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 ARG+ HG3 22 LYS+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 297, 313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 ARG+ QG 22 LYS+ HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 296, 297,
&end
#
# 21 ARG+ HD2 22 LYS+ HN 6.40
&rst
ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 21 ARG+ HD2 23 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 341, 342, 343,
&end
#
# 21 ARG+ HD3 22 LYS+ HN 6.40
&rst
ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 21 ARG+ HD3 23 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 341, 342, 343,
&end
#
# 22 LYS+ HN 22 LYS+ QB 3.28
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 317, 318,
&end
#
# 22 LYS+ HN 22 LYS+ HG2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 22 LYS+ HN 22 LYS+ HG3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 22 LYS+ HN 22 LYS+ QG 5.68
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 320, 321,
&end
#
# 22 LYS+ HN 22 LYS+ QD 3.28
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 323, 324,
&end
#
# 22 LYS+ HN 22 LYS+ HE2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 313, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 22 LYS+ HN 22 LYS+ HE3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 22 LYS+ HN 23 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 341, 342, 343,
&end
#
# 22 LYS+ HN 27 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2= 403, 412,
&end
#
# 22 LYS+ HA 22 LYS+ HD2 6.10
&rst
ixpk= 0, nxpk= 0, iat= 315, 323, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 22 LYS+ HA 22 LYS+ HD3 6.10
&rst
ixpk= 0, nxpk= 0, iat= 315, 324, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 22 LYS+ HA 22 LYS+ QD 5.65
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 323, 324,
&end
#
# 22 LYS+ HA 22 LYS+ HE2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 315, 326, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 22 LYS+ HA 22 LYS+ HE3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 315, 327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 22 LYS+ HA 23 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 341, 342, 343,
&end
#
# 22 LYS+ HA 26 ASP- HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 315, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 22 LYS+ HA 26 ASP- HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 315, 387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 22 LYS+ HA 26 ASP- HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 315, 388, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 22 LYS+ HB2 22 LYS+ HE2 6.40
&rst
ixpk= 0, nxpk= 0, iat= 317, 326, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 22 LYS+ HB2 22 LYS+ HE3 6.40
&rst
ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 22 LYS+ HB2 23 THR HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 317, 335, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 22 LYS+ HB2 27 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2= 403, 412,
&end
#
# 22 LYS+ HB3 22 LYS+ HE2 6.40
&rst
ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 22 LYS+ HB3 22 LYS+ HE3 6.40
&rst
ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 22 LYS+ HB3 23 THR HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 318, 335, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 22 LYS+ HB3 27 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2= 403, 412,
&end
#
# 22 LYS+ QB 22 LYS+ QD 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 317, 318,
igr2= 323, 324,
&end
#
# 22 LYS+ QB 22 LYS+ QE 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 317, 318,
igr2= 326, 327,
&end
#
# 22 LYS+ QB 23 THR HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 317, 318,
&end
#
# 22 LYS+ QB 27 TYR QE 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1= 317, 318,
igr2= 405, 410,
&end
#
# 22 LYS+ HG2 23 THR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 22 LYS+ HG3 23 THR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 22 LYS+ QG 23 THR HN 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 320, 321,
&end
#
# 22 LYS+ QG 27 TYR HN 6.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 320, 321,
&end
#
# 22 LYS+ HD2 23 THR HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 22 LYS+ HD3 23 THR HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 22 LYS+ QD 23 THR HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 323, 324,
&end
#
# 22 LYS+ HE2 23 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 326, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 22 LYS+ HE3 23 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 327, 335, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 23 THR HN 24 ASP- HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 335, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 THR HN 25 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 335, 361, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 23 THR HN 26 ASP- HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 335, 383, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 23 THR HN 26 ASP- HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 23 THR HN 26 ASP- HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 335, 387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 THR HN 26 ASP- HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 335, 388, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 THR HN 26 ASP- QB 5.74
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 387, 388,
&end
#
# 23 THR HN 27 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2= 403, 412,
&end
#
# 23 THR HN 27 TYR QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2= 405, 410,
&end
#
# 23 THR HA 25 LYS+ HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 337, 361, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 23 THR HB 24 ASP- HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 23 THR HB 25 LYS+ HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 23 THR QG2 24 ASP- HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 341, 342, 343,
&end
#
# 24 ASP- HN 25 LYS+ HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 24 ASP- HN 26 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 24 ASP- HA 26 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 351, 383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 24 ASP- HA 27 TYR HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 351, 395, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 24 ASP- HA 27 TYR QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2= 405, 410,
&end
#
# 24 ASP- HA 28 LEU HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 351, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 24 ASP- HB2 25 LYS+ HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 353, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 24 ASP- HB3 25 LYS+ HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 25 LYS+ HN 25 LYS+ HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 361, 368, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 LYS+ HN 25 LYS+ HG3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 LYS+ HN 25 LYS+ QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 368, 369,
&end
#
# 25 LYS+ HN 25 LYS+ HD2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 25 LYS+ HN 25 LYS+ HD3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 361, 372, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 25 LYS+ HN 25 LYS+ QD 5.59
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 371, 372,
&end
#
# 25 LYS+ HN 25 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 374, 375,
&end
#
# 25 LYS+ HN 26 ASP- HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 361, 383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 LYS+ HN 26 ASP- QB 6.88
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2= 387, 388,
&end
#
# 25 LYS+ HN 27 TYR HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 361, 395, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 25 LYS+ HN 28 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 361, 416, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 25 LYS+ HA 25 LYS+ HD2 6.20
&rst
ixpk= 0, nxpk= 0, iat= 363, 371, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 25 LYS+ HA 25 LYS+ HD3 6.20
&rst
ixpk= 0, nxpk= 0, iat= 363, 372, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 25 LYS+ HA 25 LYS+ QD 5.75
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 371, 372,
&end
#
# 25 LYS+ HA 27 TYR HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 363, 395, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 25 LYS+ HA 28 LEU HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 25 LYS+ HB2 25 LYS+ QE 6.20
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2= 374, 375,
&end
#
# 25 LYS+ HB2 26 ASP- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 365, 383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 25 LYS+ HB3 25 LYS+ QE 6.20
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2= 374, 375,
&end
#
# 25 LYS+ HB3 26 ASP- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 366, 383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 25 LYS+ QB 25 LYS+ QE 6.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 365, 366,
igr2= 374, 375,
&end
#
# 25 LYS+ QB 26 ASP- HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 365, 366,
&end
#
# 25 LYS+ HG2 26 ASP- HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 25 LYS+ HG3 26 ASP- HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 25 LYS+ QG 26 ASP- HN 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 368, 369,
&end
#
# 25 LYS+ QD 26 ASP- HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 371, 372,
&end
#
# 25 LYS+ QE 26 ASP- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 374, 375,
&end
#
# 26 ASP- HN 27 TYR HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 383, 395, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 ASP- HN 27 TYR HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 383, 399, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 26 ASP- HN 27 TYR HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 26 ASP- HN 27 TYR QB 5.96
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 399, 400,
&end
#
# 26 ASP- HN 27 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2= 403, 412,
&end
#
# 26 ASP- HN 28 LEU HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 383, 416, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 26 ASP- HB2 27 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ASP- HB3 27 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 ASP- QB 28 LEU HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 387, 388,
&end
#
# 27 TYR HN 27 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 405, 410,
&end
#
# 27 TYR HN 28 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 395, 416, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 TYR HN 28 LEU HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 395, 420, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 27 TYR HN 28 LEU HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 395, 421, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 27 TYR HN 28 LEU QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 420, 421,
&end
#
# 27 TYR HN 30 GLN QE2 7.47
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr2= 454, 455,
&end
#
# 27 TYR HN 32 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 492, 493, 494,
&end
#
# 27 TYR HN 32 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 496, 497, 498,
&end
#
# 27 TYR HA 30 GLN HE21 6.60
&rst
ixpk= 0, nxpk= 0, iat= 397, 454, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 27 TYR HA 30 GLN HE22 6.60
&rst
ixpk= 0, nxpk= 0, iat= 397, 455, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 27 TYR HA 32 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2= 496, 497, 498, 492, 493, 494,
&end
#
# 27 TYR HB2 28 LEU HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 399, 416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 27 TYR HB2 30 GLN HE21 8.25
&rst
ixpk= 0, nxpk= 0, iat= 399, 454, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, &end
#
# 27 TYR HB2 30 GLN HE22 8.25
&rst
ixpk= 0, nxpk= 0, iat= 399, 455, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, &end
#
# 27 TYR HB2 32 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 492, 493, 494,
&end
#
# 27 TYR HB2 32 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 496, 497, 498,
&end
#
# 27 TYR HB3 28 LEU HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 400, 416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 27 TYR HB3 30 GLN HE21 8.25
&rst
ixpk= 0, nxpk= 0, iat= 400, 454, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, &end
#
# 27 TYR HB3 30 GLN HE22 8.25
&rst
ixpk= 0, nxpk= 0, iat= 400, 455, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, &end
#
# 27 TYR HB3 32 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 492, 493, 494,
&end
#
# 27 TYR HB3 32 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 496, 497, 498,
&end
#
# 27 TYR QB 30 GLN QE2 7.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 399, 400,
igr2= 454, 455,
&end
#
# 27 TYR QB 71 LEU QQD 10.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
igr1= 399, 400,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 27 TYR QD 71 LEU QD1 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1= 403, 412,
igr2=1106,1107,1108,
&end
#
# 27 TYR QD 71 LEU QD2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1= 403, 412,
igr2=1110,1111,1112,
&end
#
# 27 TYR QD 97 VAL QQG 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1= 403, 412,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 27 TYR QE 30 GLN HE21 8.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
igr1= 405, 410,
&end
#
# 27 TYR QE 30 GLN HE22 8.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
igr1= 405, 410,
&end
#
# 27 TYR QE 32 LEU QD1 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1= 405, 410,
igr2= 492, 493, 494,
&end
#
# 27 TYR QE 32 LEU QD2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1= 405, 410,
igr2= 496, 497, 498,
&end
#
# 27 TYR QE 71 LEU QQD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 405, 410,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 27 TYR QE 97 VAL QQG 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1= 405, 410,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 28 LEU HN 28 LEU HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 416, 420, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 28 LEU HN 28 LEU HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 28 LEU HN 28 LEU HG 4.10
&rst
ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 28 LEU HN 28 LEU QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 425, 426, 427,
&end
#
# 28 LEU HN 28 LEU QD2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 429, 430, 431,
&end
#
# 28 LEU HN 28 LEU QQD 4.70
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 429, 430, 431, 425, 426, 427,
&end
#
# 28 LEU HN 29 GLY HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 28 LEU HN 30 GLN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 416, 442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 28 LEU HA 28 LEU HG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 418, 423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LEU HA 28 LEU QD1 7.10
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 425, 426, 427,
&end
#
# 28 LEU HA 28 LEU QD2 7.10
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 429, 430, 431,
&end
#
# 28 LEU HA 30 GLN HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 418, 442, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 28 LEU HA 143 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 418,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 28 LEU HB2 29 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU HB2 30 GLN HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 28 LEU HB3 29 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU HB3 30 GLN HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 28 LEU QB 29 GLY HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 420, 421,
&end
#
# 28 LEU HG 29 GLY HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 423, 435, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 28 LEU QD1 29 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 425, 426, 427,
&end
#
# 28 LEU QD1 142 ASP- HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 425, 426, 427,
&end
#
# 28 LEU QD1 143 GLY HA2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 425, 426, 427,
&end
#
# 28 LEU QD1 143 GLY HA3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 425, 426, 427,
&end
#
# 28 LEU QD2 29 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 429, 430, 431,
&end
#
# 28 LEU QD2 142 ASP- HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 429, 430, 431,
&end
#
# 28 LEU QD2 143 GLY HA2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 429, 430, 431,
&end
#
# 28 LEU QD2 143 GLY HA3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 429, 430, 431,
&end
#
# 28 LEU QQD 29 GLY HN 7.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 429, 430, 431, 425, 426, 427,
&end
#
# 28 LEU QQD 30 GLN HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 429, 430, 431, 425, 426, 427,
&end
#
# 28 LEU QQD 142 ASP- HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2233, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 429, 430, 431, 425, 426, 427,
&end
#
# 28 LEU QQD 143 GLY HN 8.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
igr1= 429, 430, 431, 425, 426, 427,
&end
#
# 29 GLY HN 30 GLN HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 29 GLY HN 141 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435,2229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLY HN 141 PRO HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 435,2226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 29 GLY HN 141 PRO HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 435,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 29 GLY HN 141 PRO QB 6.44
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2=2226,2227,
&end
#
# 29 GLY HN 141 PRO QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2223,2224,
&end
#
# 29 GLY HA2 141 PRO HB2 8.35
&rst
ixpk= 0, nxpk= 0, iat= 437,2226, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 29 GLY HA2 141 PRO HB3 8.35
&rst
ixpk= 0, nxpk= 0, iat= 437,2227, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 29 GLY HA3 141 PRO HB2 8.35
&rst
ixpk= 0, nxpk= 0, iat= 438,2226, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 29 GLY HA3 141 PRO HB3 8.35
&rst
ixpk= 0, nxpk= 0, iat= 438,2227, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 29 GLY QA 141 PRO QB 7.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
igr1= 437, 438,
igr2=2226,2227,
&end
#
# 30 GLN HN 30 GLN QG 5.90
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 449, 450,
&end
#
# 30 GLN HN 30 GLN QE2 6.77
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 454, 455,
&end
#
# 30 GLN HN 31 TRP HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 442, 459, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 30 GLN HN 32 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 492, 493, 494,
&end
#
# 30 GLN HN 32 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 496, 497, 498,
&end
#
# 30 GLN HN 141 PRO HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 442,2229, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 30 GLN HN 141 PRO HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 442,2226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 30 GLN HN 141 PRO HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 442,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 30 GLN HN 141 PRO QB 6.25
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=2226,2227,
&end
#
# 30 GLN HA 30 GLN HE21 6.10
&rst
ixpk= 0, nxpk= 0, iat= 444, 454, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 30 GLN HA 30 GLN HE22 6.10
&rst
ixpk= 0, nxpk= 0, iat= 444, 455, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 30 GLN HA 30 GLN QE2 5.89
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 454, 455,
&end
#
# 30 GLN HA 31 TRP HD1 6.60
&rst
ixpk= 0, nxpk= 0, iat= 444, 467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 30 GLN QB 30 GLN HE21 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 446, 447,
&end
#
# 30 GLN QB 30 GLN HE22 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 446, 447,
&end
#
# 30 GLN QB 32 LEU QQD 10.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
igr1= 446, 447,
igr2= 496, 497, 498, 492, 493, 494,
&end
#
# 30 GLN QB 69 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 446, 447,
&end
#
# 30 GLN QG 31 TRP HN 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1= 449, 450,
&end
#
# 30 GLN QG 69 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 449, 450,
&end
#
# 30 GLN QG 69 THR HB 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 449, 450,
&end
#
# 30 GLN HE21 32 LEU QD1 9.33
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr2= 492, 493, 494,
&end
#
# 30 GLN HE21 32 LEU QD2 9.33
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr2= 496, 497, 498,
&end
#
# 30 GLN HE21 69 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 454,1073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 GLN HE21 69 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1075,1076,1077,
&end
#
# 30 GLN HE22 32 LEU QD1 9.33
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr2= 492, 493, 494,
&end
#
# 30 GLN HE22 32 LEU QD2 9.33
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr2= 496, 497, 498,
&end
#
# 30 GLN HE22 69 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 455,1073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 GLN HE22 69 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1075,1076,1077,
&end
#
# 30 GLN QE2 32 LEU QQD 7.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.91, r4=12.41,
igr1= 454, 455,
igr2= 496, 497, 498, 492, 493, 494,
&end
#
# 30 GLN QE2 69 THR HB 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 454, 455,
&end
#
# 31 TRP HN 31 TRP HD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 459, 467, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 31 TRP HN 31 TRP HE3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 459, 478, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HN 31 TRP HE1 6.10
&rst
ixpk= 0, nxpk= 0, iat= 459, 469, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 31 TRP HN 32 LEU HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 459, 483, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 31 TRP HN 32 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2= 496, 497, 498, 492, 493, 494,
&end
#
# 31 TRP HN 68 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1059,1060,1061,
&end
#
# 31 TRP HN 68 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1063,1064,1065,
&end
#
# 31 TRP HA 31 TRP HE1 6.30
&rst
ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 31 TRP HA 139 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 461,2193, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HB2 32 LEU HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 31 TRP HB2 68 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1059,1060,1061,
&end
#
# 31 TRP HB2 68 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1063,1064,1065,
&end
#
# 31 TRP HB2 69 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 463,1069, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HB2 138 LEU QD1 10.74
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=2183,2184,2185,
&end
#
# 31 TRP HB2 138 LEU QD2 10.74
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=2187,2188,2189,
&end
#
# 31 TRP HB3 32 LEU HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 31 TRP HB3 68 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1059,1060,1061,
&end
#
# 31 TRP HB3 68 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1063,1064,1065,
&end
#
# 31 TRP HB3 69 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 464,1069, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HB3 138 LEU QD1 10.74
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=2183,2184,2185,
&end
#
# 31 TRP HB3 138 LEU QD2 10.74
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=2187,2188,2189,
&end
#
# 31 TRP QB 69 THR HN 6.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 463, 464,
&end
#
# 31 TRP QB 138 LEU QQD 9.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
igr1= 463, 464,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 31 TRP HD1 66 PRO QB 7.48
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1031,1032,
&end
#
# 31 TRP HD1 67 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 467,1038, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE3 32 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE3 138 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 31 TRP HE3 146 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2300,2301,2302,2296,2297,2298,
&end
#
# 31 TRP HE3 169 TYR QB 7.48
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2656,2657,
&end
#
# 31 TRP HE1 66 PRO HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 469,1031, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE1 66 PRO HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 469,1032, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE1 66 PRO QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1028,1029,
&end
#
# 31 TRP HE1 66 PRO HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 469,1025, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE1 66 PRO HD3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 469,1026, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE1 138 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 31 TRP HE1 140 GLY QA 7.60
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2214,2215,
&end
#
# 31 TRP HE1 141 PRO HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 469,2226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE1 141 PRO HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 469,2227, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE1 141 PRO QB 5.92
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=2226,2227,
&end
#
# 31 TRP HE1 141 PRO QG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2223,2224,
&end
#
# 31 TRP HE1 141 PRO HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 469,2220, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE1 141 PRO HD3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 469,2221, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HE1 169 TYR QB 7.48
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2656,2657,
&end
#
# 31 TRP HE1 169 TYR QD 7.60
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2660,2669,
&end
#
# 31 TRP HE1 169 TYR QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2662,2667,
&end
#
# 31 TRP HZ3 138 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 31 TRP HZ3 146 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2300,2301,2302,2296,2297,2298,
&end
#
# 31 TRP HZ3 165 HIST HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 476,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HZ3 165 HIST HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 476,2584, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HZ3 165 HIST HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 476,2585, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HZ2 138 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 31 TRP HH2 138 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 31 TRP HH2 146 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2300,2301,2302,2296,2297,2298,
&end
#
# 31 TRP HH2 165 HIST HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 474,2580, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HH2 165 HIST HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 474,2582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 31 TRP HH2 165 HIST QB 7.48
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2584,2585,
&end
#
# 32 LEU HN 32 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 492, 493, 494,
&end
#
# 32 LEU HN 32 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 496, 497, 498,
&end
#
# 32 LEU HN 32 LEU QQD 5.64
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 496, 497, 498, 492, 493, 494,
&end
#
# 32 LEU HN 33 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 LEU HN 69 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 483,1069, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 32 LEU HN 138 LEU HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 483,2176, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 32 LEU HN 138 LEU QQD 9.07
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3=12.23, r4=12.73,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 32 LEU HN 139 ILE HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 483,2193, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 32 LEU HN 139 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 483,2197, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 32 LEU HN 139 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2199,2200,2201,
&end
#
# 32 LEU HN 139 ILE QG1 7.08
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2=2203,2204,
&end
#
# 32 LEU HN 139 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2206,2207,2208,
&end
#
# 32 LEU HA 32 LEU QD1 7.30
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr2= 492, 493, 494,
&end
#
# 32 LEU HA 32 LEU QD2 7.30
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr2= 496, 497, 498,
&end
#
# 32 LEU HA 69 THR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 485,1069, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 LEU HA 69 THR HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 485,1073, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 32 LEU HA 69 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1075,1076,1077,
&end
#
# 32 LEU HA 71 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 32 LEU HB2 33 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 487, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HB2 71 LEU QD1 6.55
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2=1106,1107,1108,
&end
#
# 32 LEU HB2 71 LEU QD2 6.55
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2=1110,1111,1112,
&end
#
# 32 LEU HB2 139 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 487,2193, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 32 LEU HB3 33 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HB3 71 LEU QD1 6.55
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2=1106,1107,1108,
&end
#
# 32 LEU HB3 71 LEU QD2 6.55
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2=1110,1111,1112,
&end
#
# 32 LEU HB3 139 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 488,2193, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 32 LEU QB 33 LEU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 487, 488,
&end
#
# 32 LEU QB 71 LEU QQD 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 487, 488,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 32 LEU QB 139 ILE HN 6.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 487, 488,
&end
#
# 32 LEU QB 139 ILE HB 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 487, 488,
&end
#
# 32 LEU QB 139 ILE QG1 8.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1= 487, 488,
igr2=2203,2204,
&end
#
# 32 LEU QB 140 GLY HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 487, 488,
&end
#
# 32 LEU QD1 33 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 492, 493, 494,
&end
#
# 32 LEU QD1 70 PRO HA 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 492, 493, 494,
&end
#
# 32 LEU QD1 71 LEU QD1 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
igr1= 492, 493, 494,
igr2=1106,1107,1108,
&end
#
# 32 LEU QD1 71 LEU QD2 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
igr1= 492, 493, 494,
igr2=1110,1111,1112,
&end
#
# 32 LEU QD1 139 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 492, 493, 494,
&end
#
# 32 LEU QD1 139 ILE HB 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 492, 493, 494,
&end
#
# 32 LEU QD1 139 ILE HG12 9.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2203, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
igr1= 492, 493, 494,
&end
#
# 32 LEU QD1 139 ILE HG13 9.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
igr1= 492, 493, 494,
&end
#
# 32 LEU QD2 33 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 496, 497, 498,
&end
#
# 32 LEU QD2 70 PRO HA 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 496, 497, 498,
&end
#
# 32 LEU QD2 71 LEU QD1 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
igr1= 496, 497, 498,
igr2=1106,1107,1108,
&end
#
# 32 LEU QD2 71 LEU QD2 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.93, r4=17.43,
igr1= 496, 497, 498,
igr2=1110,1111,1112,
&end
#
# 32 LEU QD2 139 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 496, 497, 498,
&end
#
# 32 LEU QD2 139 ILE HB 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 496, 497, 498,
&end
#
# 32 LEU QD2 139 ILE HG12 9.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2203, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
igr1= 496, 497, 498,
&end
#
# 32 LEU QD2 139 ILE HG13 9.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
igr1= 496, 497, 498,
&end
#
# 32 LEU QQD 34 ILE QD1 9.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.68, r4=15.18,
igr1= 496, 497, 498, 492, 493, 494,
igr2= 534, 535, 536,
&end
#
# 32 LEU QQD 69 THR HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 496, 497, 498, 492, 493, 494,
&end
#
# 32 LEU QQD 69 THR HB 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 496, 497, 498, 492, 493, 494,
&end
#
# 32 LEU QQD 69 THR QG2 10.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.46, r4=16.96,
igr1= 496, 497, 498, 492, 493, 494,
igr2=1075,1076,1077,
&end
#
# 32 LEU QQD 70 PRO HA 6.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 496, 497, 498, 492, 493, 494,
&end
#
# 32 LEU QQD 71 LEU QQD 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=18.17, r4=18.67,
igr1= 496, 497, 498, 492, 493, 494,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 32 LEU QQD 139 ILE QG1 8.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
igr1= 496, 497, 498, 492, 493, 494,
igr2=2203,2204,
&end
#
# 33 LEU HN 33 LEU QD1 6.40
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2= 511, 512, 513,
&end
#
# 33 LEU HN 33 LEU QD2 6.40
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2= 515, 516, 517,
&end
#
# 33 LEU HN 33 LEU QQD 5.90
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2= 515, 516, 517, 511, 512, 513,
&end
#
# 33 LEU HN 34 ILE HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 33 LEU HN 34 ILE HB 6.20
&rst
ixpk= 0, nxpk= 0, iat= 502, 525, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 33 LEU HN 69 THR HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 502,1069, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 33 LEU HN 69 THR HB 6.10
&rst
ixpk= 0, nxpk= 0, iat= 502,1073, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 33 LEU HN 70 PRO HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 502,1093, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 33 LEU HN 70 PRO HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 502,1090, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 33 LEU HN 70 PRO HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 502,1091, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 33 LEU HN 70 PRO QB 5.88
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1090,1091,
&end
#
# 33 LEU HN 71 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 502,1097, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 33 LEU HN 71 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 33 LEU HN 136 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2147,2148,2149,
&end
#
# 33 LEU HA 33 LEU QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 511, 512, 513,
&end
#
# 33 LEU HA 33 LEU QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 515, 516, 517,
&end
#
# 33 LEU HA 34 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 534, 535, 536,
&end
#
# 33 LEU HA 136 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2147,2148,2149,
&end
#
# 33 LEU HA 139 ILE HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 504,2193, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 33 LEU HB2 34 ILE HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 33 LEU HB2 68 LEU HG 6.20
&rst
ixpk= 0, nxpk= 0, iat= 506,1057, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 33 LEU HB2 70 PRO HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 506,1093, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 33 LEU HB2 138 LEU QD1 10.74
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=2183,2184,2185,
&end
#
# 33 LEU HB2 138 LEU QD2 10.74
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=2187,2188,2189,
&end
#
# 33 LEU HB3 34 ILE HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 33 LEU HB3 68 LEU HG 6.20
&rst
ixpk= 0, nxpk= 0, iat= 507,1057, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 33 LEU HB3 70 PRO HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 507,1093, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 33 LEU HB3 138 LEU QD1 10.74
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=2183,2184,2185,
&end
#
# 33 LEU HB3 138 LEU QD2 10.74
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=2187,2188,2189,
&end
#
# 33 LEU QB 34 ILE HN 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 506, 507,
&end
#
# 33 LEU QB 69 THR HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 506, 507,
&end
#
# 33 LEU QB 71 LEU HN 6.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 506, 507,
&end
#
# 33 LEU QB 138 LEU QQD 9.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
igr1= 506, 507,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 33 LEU QD1 34 ILE HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1= 511, 512, 513,
&end
#
# 33 LEU QD1 136 MET HB2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 511, 512, 513,
&end
#
# 33 LEU QD1 136 MET HB3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 511, 512, 513,
&end
#
# 33 LEU QD1 136 MET HG2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 511, 512, 513,
&end
#
# 33 LEU QD1 136 MET HG3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 511, 512, 513,
&end
#
# 33 LEU QD1 158 ILE QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 511, 512, 513,
igr2=2493,2494,2495,
&end
#
# 33 LEU QD2 34 ILE HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1= 515, 516, 517,
&end
#
# 33 LEU QD2 136 MET HB2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 515, 516, 517,
&end
#
# 33 LEU QD2 136 MET HB3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2141, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 515, 516, 517,
&end
#
# 33 LEU QD2 136 MET HG2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 515, 516, 517,
&end
#
# 33 LEU QD2 136 MET HG3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1= 515, 516, 517,
&end
#
# 33 LEU QD2 158 ILE QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 515, 516, 517,
igr2=2493,2494,2495,
&end
#
# 33 LEU QQD 34 ILE HN 7.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 515, 516, 517, 511, 512, 513,
&end
#
# 33 LEU QQD 52 MET HA 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 515, 516, 517, 511, 512, 513,
&end
#
# 33 LEU QQD 52 MET QG 10.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
igr1= 515, 516, 517, 511, 512, 513,
igr2= 811, 812,
&end
#
# 33 LEU QQD 55 VAL QQG 9.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=17.86, r4=18.36,
igr1= 515, 516, 517, 511, 512, 513,
igr2= 863, 864, 865, 867, 868, 869,
&end
#
# 33 LEU QQD 56 VAL HA 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 515, 516, 517, 511, 512, 513,
&end
#
# 33 LEU QQD 68 LEU QB 10.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
igr1= 515, 516, 517, 511, 512, 513,
igr2=1054,1055,
&end
#
# 33 LEU QQD 68 LEU HG 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 515, 516, 517, 511, 512, 513,
&end
#
# 33 LEU QQD 69 THR HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 515, 516, 517, 511, 512, 513,
&end
#
# 33 LEU QQD 70 PRO HA 6.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 515, 516, 517, 511, 512, 513,
&end
#
# 33 LEU QQD 136 MET QB 9.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
igr1= 515, 516, 517, 511, 512, 513,
igr2=2140,2141,
&end
#
# 33 LEU QQD 136 MET QG 9.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
igr1= 515, 516, 517, 511, 512, 513,
igr2=2143,2144,
&end
#
# 33 LEU QQD 136 MET QE 8.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.52, r4=15.02,
igr1= 515, 516, 517, 511, 512, 513,
igr2=2147,2148,2149,
&end
#
# 33 LEU QQD 138 LEU HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1= 515, 516, 517, 511, 512, 513,
&end
#
# 33 LEU QQD 138 LEU QQD 8.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.79, r4=15.29,
igr1= 515, 516, 517, 511, 512, 513,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 33 LEU QQD 149 PHE QD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 515, 516, 517, 511, 512, 513,
igr2=2347,2355,
&end
#
# 33 LEU QQD 158 ILE QD1 9.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.68, r4=15.18,
igr1= 515, 516, 517, 511, 512, 513,
igr2=2500,2501,2502,
&end
#
# 34 ILE HN 34 ILE QG1 7.50
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 531, 532,
&end
#
# 34 ILE HN 34 ILE QD1 6.40
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2= 534, 535, 536,
&end
#
# 34 ILE HN 35 TYR HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 521, 540, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 34 ILE HN 71 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 34 ILE HN 136 MET HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 521,2140, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 34 ILE HN 136 MET HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 521,2141, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 34 ILE HN 136 MET HG2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 521,2143, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 34 ILE HN 136 MET HG3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 521,2144, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 34 ILE HN 136 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2147,2148,2149,
&end
#
# 34 ILE HN 137 TYR HN 6.40
&rst
ixpk= 0, nxpk= 0, iat= 521,2153, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 34 ILE HN 137 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2161,2170,
&end
#
# 34 ILE HA 70 PRO HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 523,1093, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 34 ILE HA 71 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 523,1097, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 34 ILE HA 71 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 34 ILE HA 72 PHE HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 523,1118, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 34 ILE HA 136 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2147,2148,2149,
&end
#
# 34 ILE HB 35 TYR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 34 ILE HB 137 TYR HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 525,2153, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 34 ILE HB 137 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2161,2170,
&end
#
# 34 ILE QG2 35 TYR HN 7.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 35 TYR HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 36 PHE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 71 LEU HB2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 71 LEU HB3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 71 LEU HG 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 72 PHE HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 73 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 73 ILE QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 527, 528, 529,
igr2=1149,1150,1151,
&end
#
# 34 ILE QG2 137 TYR HB2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 137 TYR HB3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2158, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 527, 528, 529,
&end
#
# 34 ILE QG2 139 ILE QD1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 527, 528, 529,
igr2=2206,2207,2208,
&end
#
# 34 ILE QG1 35 TYR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 531, 532,
&end
#
# 34 ILE QG1 139 ILE QD1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1= 531, 532,
igr2=2206,2207,2208,
&end
#
# 34 ILE QD1 35 TYR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 534, 535, 536,
&end
#
# 34 ILE QD1 73 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 534, 535, 536,
igr2=1149,1150,1151,
&end
#
# 34 ILE QD1 137 TYR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 534, 535, 536,
&end
#
# 34 ILE QD1 137 TYR QB 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1= 534, 535, 536,
igr2=2157,2158,
&end
#
# 34 ILE QD1 139 ILE HB 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 534, 535, 536,
&end
#
# 34 ILE QD1 139 ILE QG1 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1= 534, 535, 536,
igr2=2203,2204,
&end
#
# 34 ILE QD1 139 ILE QD1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 534, 535, 536,
igr2=2206,2207,2208,
&end
#
# 35 TYR HN 70 PRO HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 540,1093, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 35 TYR HN 71 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 540,1097, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 35 TYR HN 71 LEU QB 7.48
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1101,1102,
&end
#
# 35 TYR HN 71 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 35 TYR HN 72 PHE HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 540,1118, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 35 TYR HN 72 PHE QB 6.98
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2=1120,1121,
&end
#
# 35 TYR HN 72 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1124,1132,
&end
#
# 35 TYR HN 72 PHE QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1126,1130,
&end
#
# 35 TYR HN 73 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 540,1136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 35 TYR HN 73 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1149,1150,1151,
&end
#
# 35 TYR HN 136 MET QE 7.40
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr2=2147,2148,2149,
&end
#
# 35 TYR HA 137 TYR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 542,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 35 TYR HB2 52 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 815, 816, 817,
&end
#
# 35 TYR HB3 52 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 815, 816, 817,
&end
#
# 36 PHE HA 72 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1124,1132,
&end
#
# 36 PHE HA 72 PHE QE 7.20
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr2=1126,1130,
&end
#
# 36 PHE HA 73 ILE HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 563,1136, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 36 PHE HA 73 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 563,1140, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 36 PHE HA 73 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1142,1143,1144,
&end
#
# 36 PHE HA 75 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1179,1180,1181,
&end
#
# 36 PHE HB2 75 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1172,1173,1174,
&end
#
# 36 PHE HB2 75 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1179,1180,1181,
&end
#
# 36 PHE HB3 75 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1172,1173,1174,
&end
#
# 36 PHE HB3 75 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1179,1180,1181,
&end
#
# 36 PHE QD 73 ILE QG2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1= 569, 577,
igr2=1142,1143,1144,
&end
#
# 36 PHE QE 73 ILE QG2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1= 571, 575,
igr2=1142,1143,1144,
&end
#
# 36 PHE QE 109 VAL QQG 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1= 571, 575,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 36 PHE QE 110 ALA HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 571, 575,
&end
#
# 36 PHE HZ 73 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1142,1143,1144,
&end
#
# 36 PHE HZ 109 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 36 PHE HZ 110 ALA HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 573,1720, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 37 GLY HN 38 PHE HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 37 GLY HN 72 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1124,1132,
&end
#
# 37 GLY HN 72 PHE QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1126,1130,
&end
#
# 37 GLY HN 72 PHE HZ 6.60
&rst
ixpk= 0, nxpk= 0, iat= 581,1128, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 37 GLY HN 73 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 581,1136, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 37 GLY HN 73 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 581,1140, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 37 GLY HN 73 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1142,1143,1144,
&end
#
# 37 GLY HN 75 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1172,1173,1174,
&end
#
# 37 GLY HN 75 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1179,1180,1181,
&end
#
# 38 PHE HA 39 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 614, 615, 616,
&end
#
# 38 PHE HA 75 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1179,1180,1181,
&end
#
# 38 PHE QB 76 ASP- HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 592, 593,
&end
#
# 38 PHE QB 130 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
igr1= 592, 593,
igr2=2045,2046,2047,2049,2050,2051,
&end
#
# 38 PHE QD 39 THR HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 596, 604,
&end
#
# 38 PHE QD 41 CYS HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 596, 604,
&end
#
# 39 THR HA 41 CYS HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 610, 640, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 39 THR HA 88 TYR QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1376,1381,
&end
#
# 39 THR QG2 72 PHE QE 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1= 614, 615, 616,
igr2=1126,1130,
&end
#
# 39 THR QG2 84 ALA QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 614, 615, 616,
igr2=1317,1318,1319,
&end
#
# 39 THR QG2 85 ILE HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 614, 615, 616,
&end
#
# 39 THR QG2 88 TYR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 614, 615, 616,
&end
#
# 42 PRO HA 44 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2= 683, 684, 685, 687, 688, 689,
&end
#
# 42 PRO HD2 44 VAL QG1 10.72
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2= 683, 684, 685,
&end
#
# 42 PRO HD2 44 VAL QG2 10.72
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2= 687, 688, 689,
&end
#
# 42 PRO HD3 44 VAL QG1 10.72
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2= 683, 684, 685,
&end
#
# 42 PRO HD3 44 VAL QG2 10.72
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2= 687, 688, 689,
&end
#
# 42 PRO QD 44 VAL QQG 9.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30,
igr1= 652, 653,
igr2= 683, 684, 685, 687, 688, 689,
&end
#
# 44 VAL HA 47 GLU- QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 722, 723,
&end
#
# 44 VAL QG1 151 GLN HE21 9.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2378, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr1= 683, 684, 685,
&end
#
# 44 VAL QG1 151 GLN HE22 9.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2379, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr1= 683, 684, 685,
&end
#
# 44 VAL QG2 151 GLN HE21 9.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2378, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr1= 687, 688, 689,
&end
#
# 44 VAL QG2 151 GLN HE22 9.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2379, r1= 1.30, r2= 1.80, r3=11.20, r4=11.70,
igr1= 687, 688, 689,
&end
#
# 44 VAL QQG 151 GLN QE2 7.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.41, r4=11.91,
igr1= 683, 684, 685, 687, 688, 689,
igr2=2378,2379,
&end
#
# 46 PRO HA 49 LEU HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 714, 752, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 46 PRO HA 49 LEU HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 714, 753, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 46 PRO HA 49 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2= 761, 762, 763, 757, 758, 759,
&end
#
# 46 PRO HA 50 GLU- QG 7.48
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2= 774, 775,
&end
#
# 46 PRO HA 88 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1374,1383,
&end
#
# 46 PRO HA 92 PHE QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1450,1454,
&end
#
# 46 PRO HA 92 PHE HZ 6.60
&rst
ixpk= 0, nxpk= 0, iat= 714,1452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 46 PRO QB 92 PHE QE 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1= 711, 712,
igr2=1450,1454,
&end
#
# 46 PRO QB 92 PHE HZ 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 711, 712,
&end
#
# 47 GLU- HA 50 GLU- HG2 5.60
&rst
ixpk= 0, nxpk= 0, iat= 720, 774, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 47 GLU- HA 50 GLU- HG3 5.60
&rst
ixpk= 0, nxpk= 0, iat= 720, 775, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 47 GLU- HA 50 GLU- QG 5.43
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 774, 775,
&end
#
# 49 LEU HA 49 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 757, 758, 759,
&end
#
# 49 LEU HA 49 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 761, 762, 763,
&end
#
# 49 LEU HA 52 MET QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 808, 809,
&end
#
# 49 LEU HA 52 MET QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 811, 812,
&end
#
# 49 LEU HA 52 MET QE 7.20
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 815, 816, 817,
&end
#
# 49 LEU QB 92 PHE QE 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1= 752, 753,
igr2=1450,1454,
&end
#
# 49 LEU QQD 52 MET QE 10.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.46, r4=16.96,
igr1= 761, 762, 763, 757, 758, 759,
igr2= 815, 816, 817,
&end
#
# 49 LEU QQD 72 PHE QB 10.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
igr1= 761, 762, 763, 757, 758, 759,
igr2=1120,1121,
&end
#
# 49 LEU QQD 72 PHE QD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 761, 762, 763, 757, 758, 759,
igr2=1124,1132,
&end
#
# 49 LEU QQD 88 TYR QE 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 761, 762, 763, 757, 758, 759,
igr2=1376,1381,
&end
#
# 49 LEU QQD 92 PHE QD 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1= 761, 762, 763, 757, 758, 759,
igr2=1448,1456,
&end
#
# 49 LEU QQD 96 LEU QQD 11.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=21.33, r4=21.83,
igr1= 761, 762, 763, 757, 758, 759,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 50 GLU- HA 53 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 769, 821, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 50 GLU- HA 92 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1448,1456,
&end
#
# 50 GLU- HG2 54 GLN HE21 8.35
&rst
ixpk= 0, nxpk= 0, iat= 774, 852, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 50 GLU- HG2 54 GLN HE22 8.35
&rst
ixpk= 0, nxpk= 0, iat= 774, 853, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 50 GLU- HG2 92 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1448,1456,
&end
#
# 50 GLU- HG3 54 GLN HE21 8.35
&rst
ixpk= 0, nxpk= 0, iat= 775, 852, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 50 GLU- HG3 54 GLN HE22 8.35
&rst
ixpk= 0, nxpk= 0, iat= 775, 853, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 50 GLU- HG3 92 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1448,1456,
&end
#
# 50 GLU- QG 54 GLN QE2 6.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1= 774, 775,
igr2= 852, 853,
&end
#
# 50 GLU- QG 92 PHE QE 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1= 774, 775,
igr2=1450,1454,
&end
#
# 51 LYS+ HA 51 LYS+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 792, 793,
&end
#
# 51 LYS+ HA 54 GLN HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 784, 844, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 51 LYS+ HA 54 GLN HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 784, 845, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 51 LYS+ HA 54 GLN HG2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 784, 847, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 51 LYS+ HA 54 GLN HG3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 784, 848, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 51 LYS+ HA 54 GLN HE21 6.60
&rst
ixpk= 0, nxpk= 0, iat= 784, 852, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 51 LYS+ HA 54 GLN HE22 6.60
&rst
ixpk= 0, nxpk= 0, iat= 784, 853, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 51 LYS+ QB 51 LYS+ QE 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
igr1= 786, 787,
igr2= 795, 796,
&end
#
# 51 LYS+ QB 52 MET HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 786, 787,
&end
#
# 51 LYS+ QB 158 ILE QD1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1= 786, 787,
igr2=2500,2501,2502,
&end
#
# 51 LYS+ QG 52 MET HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 789, 790,
&end
#
# 51 LYS+ QG 55 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
igr1= 789, 790,
igr2= 863, 864, 865, 867, 868, 869,
&end
#
# 51 LYS+ QD 155 LYS+ HN 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 792, 793,
&end
#
# 51 LYS+ QE 158 ILE QD1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1= 795, 796,
igr2=2500,2501,2502,
&end
#
# 52 MET HA 52 MET QE 7.40
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr2= 815, 816, 817,
&end
#
# 52 MET HA 54 GLN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 806, 840, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 52 MET HA 55 VAL HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 806, 857, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 52 MET HA 55 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 806, 861, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 52 MET HA 55 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 863, 864, 865,
&end
#
# 52 MET HA 55 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 867, 868, 869,
&end
#
# 52 MET QB 52 MET QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 808, 809,
igr2= 815, 816, 817,
&end
#
# 52 MET QB 136 MET HG2 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 808, 809,
&end
#
# 52 MET QB 136 MET HG3 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 808, 809,
&end
#
# 52 MET QE 53 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 815, 816, 817,
&end
#
# 53 ILE HN 53 ILE HG12 5.40
&rst
ixpk= 0, nxpk= 0, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 53 ILE HN 53 ILE HG13 5.40
&rst
ixpk= 0, nxpk= 0, iat= 821, 832, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 53 ILE HN 53 ILE QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 831, 832,
&end
#
# 53 ILE HN 53 ILE QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 834, 835, 836,
&end
#
# 53 ILE HN 54 GLN HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 821, 840, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 ILE HN 54 GLN HG2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 821, 847, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 53 ILE HN 54 GLN HG3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 821, 848, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 53 ILE HN 54 GLN QG 4.32
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 847, 848,
&end
#
# 53 ILE HA 55 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2= 863, 864, 865, 867, 868, 869,
&end
#
# 53 ILE HA 56 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 823, 877, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 53 ILE HA 56 VAL QQG 6.36
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
igr2= 879, 880, 881, 883, 884, 885,
&end
#
# 53 ILE HA 57 ASP- HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 823, 889, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 53 ILE HB 54 GLN HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 825, 840, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 53 ILE QG2 53 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 827, 828, 829,
igr2= 834, 835, 836,
&end
#
# 53 ILE QG2 54 GLN HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 827, 828, 829,
&end
#
# 53 ILE QG2 93 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 827, 828, 829,
&end
#
# 53 ILE QG2 93 SER HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 827, 828, 829,
&end
#
# 53 ILE QG2 93 SER QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1= 827, 828, 829,
igr2=1464,1465,
&end
#
# 53 ILE HG12 54 GLN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 53 ILE HG13 54 GLN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 832, 840, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 53 ILE QG1 54 GLN HN 6.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 831, 832,
&end
#
# 53 ILE QD1 54 GLN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 56 VAL HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 56 VAL QQG 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1= 834, 835, 836,
igr2= 879, 880, 881, 883, 884, 885,
&end
#
# 53 ILE QD1 57 ASP- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 92 PHE HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 92 PHE HB2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 92 PHE HB3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 93 SER HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 93 SER HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 93 SER QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1= 834, 835, 836,
igr2=1464,1465,
&end
#
# 53 ILE QD1 96 LEU HN 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 96 LEU HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 96 LEU HB2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 96 LEU HB3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 834, 835, 836,
&end
#
# 53 ILE QD1 96 LEU QB 6.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.10, r4= 9.60,
igr1= 834, 835, 836,
igr2=1511,1512,
&end
#
# 53 ILE QD1 96 LEU QQD 7.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.58, r4=13.08,
igr1= 834, 835, 836,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 54 GLN HN 54 GLN HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 840, 847, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 54 GLN HN 54 GLN HG3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 840, 848, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 54 GLN HN 54 GLN QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 847, 848,
&end
#
# 54 GLN HN 54 GLN QE2 7.27
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr2= 852, 853,
&end
#
# 54 GLN HN 55 VAL HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 840, 857, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 54 GLN HN 55 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 863, 864, 865,
&end
#
# 54 GLN HN 55 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 867, 868, 869,
&end
#
# 54 GLN HN 57 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 840, 889, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 54 GLN HN 155 LYS+ HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 840,2453, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 54 GLN HN 155 LYS+ HD3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 840,2454, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 54 GLN HN 155 LYS+ QD 6.34
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2453,2454,
&end
#
# 54 GLN HA 54 GLN HE21 6.60
&rst
ixpk= 0, nxpk= 0, iat= 842, 852, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 54 GLN HA 54 GLN HE22 6.60
&rst
ixpk= 0, nxpk= 0, iat= 842, 853, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 54 GLN HA 54 GLN QE2 6.39
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2= 852, 853,
&end
#
# 54 GLN HA 57 ASP- HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 842, 889, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 GLN HA 57 ASP- HB2 6.40
&rst
ixpk= 0, nxpk= 0, iat= 842, 893, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 54 GLN HA 57 ASP- HB3 6.40
&rst
ixpk= 0, nxpk= 0, iat= 842, 894, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 54 GLN HA 57 ASP- QB 5.59
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 893, 894,
&end
#
# 54 GLN HB2 54 GLN HE21 7.15
&rst
ixpk= 0, nxpk= 0, iat= 844, 852, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 54 GLN HB2 54 GLN HE22 7.15
&rst
ixpk= 0, nxpk= 0, iat= 844, 853, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 54 GLN HB2 55 VAL HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 844, 857, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 54 GLN HB3 54 GLN HE21 7.15
&rst
ixpk= 0, nxpk= 0, iat= 845, 852, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 54 GLN HB3 54 GLN HE22 7.15
&rst
ixpk= 0, nxpk= 0, iat= 845, 853, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, &end
#
# 54 GLN HB3 55 VAL HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 845, 857, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 54 GLN QB 56 VAL QQG 10.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
igr1= 844, 845,
igr2= 879, 880, 881, 883, 884, 885,
&end
#
# 54 GLN QB 155 LYS+ QG 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1= 844, 845,
igr2=2450,2451,
&end
#
# 54 GLN QB 155 LYS+ QD 8.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1= 844, 845,
igr2=2453,2454,
&end
#
# 54 GLN HG2 55 VAL HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 847, 857, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 54 GLN HG2 155 LYS+ QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2450,2451,
&end
#
# 54 GLN HG3 55 VAL HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 848, 857, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 54 GLN HG3 155 LYS+ QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2450,2451,
&end
#
# 54 GLN QG 55 VAL HN 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 847, 848,
&end
#
# 54 GLN HE21 155 LYS+ QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2450,2451,
&end
#
# 54 GLN HE22 155 LYS+ QG 7.60
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2450,2451,
&end
#
# 55 VAL HN 55 VAL HB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 55 VAL HN 56 VAL HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 857, 873, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 55 VAL HN 57 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 857, 889, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 55 VAL HN 58 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 857, 901, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 55 VAL HN 155 LYS+ HD2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 857,2453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 55 VAL HN 155 LYS+ HD3 6.30
&rst
ixpk= 0, nxpk= 0, iat= 857,2454, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 55 VAL HN 155 LYS+ QD 5.99
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr2=2453,2454,
&end
#
# 55 VAL HA 57 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 859, 889, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 55 VAL HA 58 GLU- HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 859, 901, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 55 VAL HA 58 GLU- QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2= 905, 906,
&end
#
# 55 VAL HA 58 GLU- QG 7.48
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2= 908, 909,
&end
#
# 55 VAL HA 155 LYS+ QD 7.48
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2453,2454,
&end
#
# 55 VAL HA 155 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2456,2457,
&end
#
# 55 VAL HA 159 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2510,2511,2512,
&end
#
# 55 VAL HB 56 VAL HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 55 VAL QG1 158 ILE QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 863, 864, 865,
igr2=2493,2494,2495,
&end
#
# 55 VAL QG1 159 ALA HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1= 863, 864, 865,
&end
#
# 55 VAL QG1 159 ALA HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 863, 864, 865,
&end
#
# 55 VAL QG1 160 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 863, 864, 865,
&end
#
# 55 VAL QG2 158 ILE QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 867, 868, 869,
igr2=2493,2494,2495,
&end
#
# 55 VAL QG2 159 ALA HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1= 867, 868, 869,
&end
#
# 55 VAL QG2 159 ALA HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 867, 868, 869,
&end
#
# 55 VAL QG2 160 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 867, 868, 869,
&end
#
# 55 VAL QQG 56 VAL HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1= 863, 864, 865, 867, 868, 869,
&end
#
# 55 VAL QQG 56 VAL HA 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1= 863, 864, 865, 867, 868, 869,
&end
#
# 55 VAL QQG 57 ASP- HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1= 863, 864, 865, 867, 868, 869,
&end
#
# 55 VAL QQG 58 GLU- HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1= 863, 864, 865, 867, 868, 869,
&end
#
# 55 VAL QQG 158 ILE HB 8.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2491, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1= 863, 864, 865, 867, 868, 869,
&end
#
# 55 VAL QQG 158 ILE QG2 8.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.97, r4=13.47,
igr1= 863, 864, 865, 867, 868, 869,
igr2=2493,2494,2495,
&end
#
# 55 VAL QQG 159 ALA HN 6.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 9.29, r4= 9.79,
igr1= 863, 864, 865, 867, 868, 869,
&end
#
# 55 VAL QQG 159 ALA QB 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
igr1= 863, 864, 865, 867, 868, 869,
igr2=2510,2511,2512,
&end
#
# 55 VAL QQG 162 ILE HB 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2541, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1= 863, 864, 865, 867, 868, 869,
&end
#
# 56 VAL HN 57 ASP- HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 873, 889, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 VAL HA 59 ILE HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= 875, 916, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 56 VAL HA 59 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 875, 920, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 56 VAL HA 59 ILE QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 922, 923, 924,
&end
#
# 56 VAL HA 59 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 929, 930, 931,
&end
#
# 56 VAL HA 60 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 875, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 56 VAL HA 68 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 875,1050, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 56 VAL HA 68 LEU HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 875,1054, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 56 VAL HA 68 LEU HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 875,1055, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 56 VAL HA 68 LEU QQD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1063,1064,1065,1059,1060,1061,
&end
#
# 56 VAL HB 57 ASP- HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 877, 889, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 VAL QG1 57 ASP- HN 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 879, 880, 881,
&end
#
# 56 VAL QG2 57 ASP- HN 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 883, 884, 885,
&end
#
# 56 VAL QQG 57 ASP- HN 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 879, 880, 881, 883, 884, 885,
&end
#
# 56 VAL QQG 57 ASP- HA 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1= 879, 880, 881, 883, 884, 885,
&end
#
# 56 VAL QQG 68 LEU HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1= 879, 880, 881, 883, 884, 885,
&end
#
# 56 VAL QQG 68 LEU QB 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.84, r4= 9.34,
igr1= 879, 880, 881, 883, 884, 885,
igr2=1054,1055,
&end
#
# 56 VAL QQG 68 LEU HG 7.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
igr1= 879, 880, 881, 883, 884, 885,
&end
#
# 57 ASP- HN 58 GLU- HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 889, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ASP- HN 59 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 889, 920, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 57 ASP- HA 59 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 891, 916, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 57 ASP- HA 60 ASP- HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 891, 935, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 57 ASP- HA 60 ASP- HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 891, 939, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 57 ASP- HA 60 ASP- HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat= 891, 940, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 57 ASP- HA 60 ASP- QB 6.25
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2= 939, 940,
&end
#
# 57 ASP- HB2 58 GLU- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 893, 901, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 57 ASP- HB2 59 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 893, 916, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 57 ASP- HB3 58 GLU- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 894, 901, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 57 ASP- HB3 59 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 894, 916, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 58 GLU- HN 58 GLU- HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 901, 908, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 GLU- HN 58 GLU- HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 901, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 GLU- HN 59 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 901, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLU- HN 59 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 922, 923, 924,
&end
#
# 58 GLU- HN 59 ILE QG1 7.18
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr2= 926, 927,
&end
#
# 58 GLU- HN 60 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 901, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 58 GLU- HA 60 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 903, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 58 GLU- QB 61 SER QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.84, r4=11.34,
igr1= 905, 906,
igr2= 951, 952,
&end
#
# 58 GLU- QB 159 ALA QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1= 905, 906,
igr2=2510,2511,2512,
&end
#
# 58 GLU- HG2 59 ILE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 908, 916, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 58 GLU- HG3 59 ILE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 909, 916, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 58 GLU- QG 59 ILE HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 908, 909,
&end
#
# 58 GLU- QG 60 ASP- HN 6.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1= 908, 909,
&end
#
# 58 GLU- QG 159 ALA QB 7.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 908, 909,
igr2=2510,2511,2512,
&end
#
# 59 ILE HN 59 ILE HB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 59 ILE HN 59 ILE HG12 5.10
&rst
ixpk= 0, nxpk= 0, iat= 916, 926, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 59 ILE HN 59 ILE HG13 5.10
&rst
ixpk= 0, nxpk= 0, iat= 916, 927, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 59 ILE HN 59 ILE QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 926, 927,
&end
#
# 59 ILE HN 59 ILE QD1 5.70
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 929, 930, 931,
&end
#
# 59 ILE HN 60 ASP- HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 916, 935, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 59 ILE HN 61 SER HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 916, 947, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 59 ILE HN 62 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 916, 958, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 59 ILE HN 62 ILE QD1 6.60
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 971, 972, 973,
&end
#
# 59 ILE HA 59 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 929, 930, 931,
&end
#
# 59 ILE HA 61 SER HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 918, 947, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 59 ILE HA 62 ILE HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 918, 958, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 59 ILE HA 62 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 918, 962, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 59 ILE HA 62 ILE QG1 7.48
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2= 968, 969,
&end
#
# 59 ILE HA 62 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 971, 972, 973,
&end
#
# 59 ILE HA 159 ALA QB 7.50
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr2=2510,2511,2512,
&end
#
# 59 ILE HA 162 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 918,2541, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 59 ILE HB 60 ASP- HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 59 ILE HB 65 LEU QB 7.08
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2=1009,1010,
&end
#
# 59 ILE HB 162 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2550,2551,2552,
&end
#
# 59 ILE QG2 60 ASP- HN 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 922, 923, 924,
&end
#
# 59 ILE QG2 60 ASP- HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 922, 923, 924,
&end
#
# 59 ILE QG2 61 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 922, 923, 924,
&end
#
# 59 ILE QG2 62 ILE HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 922, 923, 924,
&end
#
# 59 ILE QG2 67 ASP- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 922, 923, 924,
&end
#
# 59 ILE QG2 68 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 922, 923, 924,
&end
#
# 59 ILE QG2 68 LEU QB 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1= 922, 923, 924,
igr2=1054,1055,
&end
#
# 59 ILE QG2 159 ALA QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 922, 923, 924,
igr2=2510,2511,2512,
&end
#
# 59 ILE QG2 162 ILE HB 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2541, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 922, 923, 924,
&end
#
# 59 ILE HG12 60 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 926, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 59 ILE HG13 60 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 927, 935, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 59 ILE QG1 60 ASP- HN 6.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 926, 927,
&end
#
# 59 ILE QG1 61 SER HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 926, 927,
&end
#
# 59 ILE QD1 60 ASP- HN 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 929, 930, 931,
&end
#
# 59 ILE QD1 61 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 929, 930, 931,
&end
#
# 59 ILE QD1 158 ILE QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1= 929, 930, 931,
igr2=2493,2494,2495,
&end
#
# 59 ILE QD1 159 ALA HA 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 929, 930, 931,
&end
#
# 59 ILE QD1 159 ALA QB 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 929, 930, 931,
igr2=2510,2511,2512,
&end
#
# 59 ILE QD1 160 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 929, 930, 931,
&end
#
# 59 ILE QD1 162 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 929, 930, 931,
&end
#
# 59 ILE QD1 162 ILE HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 929, 930, 931,
&end
#
# 59 ILE QD1 162 ILE HB 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2541, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 929, 930, 931,
&end
#
# 59 ILE QD1 162 ILE QG2 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
igr1= 929, 930, 931,
igr2=2543,2544,2545,
&end
#
# 59 ILE QD1 163 ALA HN 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 929, 930, 931,
&end
#
# 60 ASP- HN 61 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 935, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASP- HN 62 ILE HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= 935, 958, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 60 ASP- HN 67 ASP- HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 935,1040, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 60 ASP- HA 68 LEU HN 6.40
&rst
ixpk= 0, nxpk= 0, iat= 937,1050, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 60 ASP- HB2 61 SER HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 939, 947, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 60 ASP- HB2 62 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 939, 958, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 60 ASP- HB3 61 SER HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 940, 947, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 60 ASP- HB3 62 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 940, 958, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 61 SER HN 62 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat= 947, 962, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 61 SER HN 62 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 964, 965, 966,
&end
#
# 61 SER HN 62 ILE HG12 6.60
&rst
ixpk= 0, nxpk= 0, iat= 947, 968, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 61 SER HN 62 ILE HG13 6.60
&rst
ixpk= 0, nxpk= 0, iat= 947, 969, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 61 SER HN 62 ILE QG1 5.97
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 968, 969,
&end
#
# 61 SER HN 62 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2= 971, 972, 973,
&end
#
# 61 SER HN 63 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 947, 977, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 62 ILE HN 62 ILE HB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 62 ILE HN 62 ILE QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 964, 965, 966,
&end
#
# 62 ILE HN 62 ILE HG12 4.40
&rst
ixpk= 0, nxpk= 0, iat= 958, 968, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 62 ILE HN 62 ILE HG13 4.40
&rst
ixpk= 0, nxpk= 0, iat= 958, 969, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 62 ILE HN 62 ILE QG1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 968, 969,
&end
#
# 62 ILE HN 62 ILE QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 971, 972, 973,
&end
#
# 62 ILE HN 63 THR HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 958, 977, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 62 ILE HN 64 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 958, 991, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 62 ILE HB 63 THR HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 62 ILE HB 64 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 962, 991, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 62 ILE HB 65 LEU HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 962,1005, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 62 ILE QG2 62 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 964, 965, 966,
igr2= 971, 972, 973,
&end
#
# 62 ILE QG2 63 THR HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 964, 965, 966,
&end
#
# 62 ILE QG2 64 THR HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 964, 965, 966,
&end
#
# 62 ILE QG2 65 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 964, 965, 966,
&end
#
# 62 ILE HG12 64 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 968, 991, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 62 ILE HG13 64 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= 969, 991, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 62 ILE QG1 65 LEU HN 7.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 968, 969,
&end
#
# 62 ILE QD1 63 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 971, 972, 973,
&end
#
# 62 ILE QD1 63 THR HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 971, 972, 973,
&end
#
# 63 THR HN 63 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 983, 984, 985,
&end
#
# 63 THR HN 64 THR HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 977, 991, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 63 THR HA 65 LEU HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 979,1005, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 63 THR HB 64 THR HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 981, 991, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 63 THR QG2 64 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 983, 984, 985,
&end
#
# 64 THR HN 65 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 991,1005, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 THR HN 65 LEU QB 7.08
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2=1009,1010,
&end
#
# 64 THR HB 65 LEU HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 995,1005, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 64 THR HB 171 LYS+ QG 7.48
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2704,2705,
&end
#
# 64 THR HB 171 LYS+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2707,2708,
&end
#
# 64 THR QG2 65 LEU HN 7.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 997, 998, 999,
&end
#
# 64 THR QG2 171 LYS+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2697, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 997, 998, 999,
&end
#
# 64 THR QG2 173 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2741, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1= 997, 998, 999,
&end
#
# 65 LEU HN 65 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1014,1015,1016,
&end
#
# 65 LEU HN 65 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1018,1019,1020,
&end
#
# 65 LEU HN 65 LEU QQD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1018,1019,1020,1014,1015,1016,
&end
#
# 65 LEU HN 66 PRO HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1005,1025, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 65 LEU HN 66 PRO HD3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1005,1026, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 65 LEU HA 171 LYS+ QB 7.48
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2701,2702,
&end
#
# 65 LEU HA 172 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2732,2733,
&end
#
# 65 LEU HB2 66 PRO HD2 8.35
&rst
ixpk= 0, nxpk= 0, iat=1009,1025, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 65 LEU HB2 66 PRO HD3 8.35
&rst
ixpk= 0, nxpk= 0, iat=1009,1026, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 65 LEU HB3 66 PRO HD2 8.35
&rst
ixpk= 0, nxpk= 0, iat=1010,1025, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 65 LEU HB3 66 PRO HD3 8.35
&rst
ixpk= 0, nxpk= 0, iat=1010,1026, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 65 LEU QB 66 PRO QD 6.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=1009,1010,
igr2=1025,1026,
&end
#
# 65 LEU QD1 66 PRO HB2 9.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
igr1=1014,1015,1016,
&end
#
# 65 LEU QD1 66 PRO HB3 9.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
igr1=1014,1015,1016,
&end
#
# 65 LEU QD1 66 PRO HD2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1=1014,1015,1016,
&end
#
# 65 LEU QD1 66 PRO HD3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1=1014,1015,1016,
&end
#
# 65 LEU QD1 163 ALA HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2558, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1014,1015,1016,
&end
#
# 65 LEU QD1 163 ALA QB 8.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.83, r4=12.33,
igr1=1014,1015,1016,
igr2=2560,2561,2562,
&end
#
# 65 LEU QD1 171 LYS+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2697, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1014,1015,1016,
&end
#
# 65 LEU QD2 66 PRO HB2 9.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
igr1=1018,1019,1020,
&end
#
# 65 LEU QD2 66 PRO HB3 9.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3=11.23, r4=11.73,
igr1=1018,1019,1020,
&end
#
# 65 LEU QD2 66 PRO HD2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1=1018,1019,1020,
&end
#
# 65 LEU QD2 66 PRO HD3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1=1018,1019,1020,
&end
#
# 65 LEU QD2 163 ALA HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2558, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1018,1019,1020,
&end
#
# 65 LEU QD2 163 ALA QB 8.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.83, r4=12.33,
igr1=1018,1019,1020,
igr2=2560,2561,2562,
&end
#
# 65 LEU QD2 171 LYS+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2697, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1018,1019,1020,
&end
#
# 65 LEU QQD 66 PRO HA 7.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1018,1019,1020,1014,1015,1016,
&end
#
# 65 LEU QQD 66 PRO QB 7.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.70, r4=12.20,
igr1=1018,1019,1020,1014,1015,1016,
igr2=1031,1032,
&end
#
# 65 LEU QQD 66 PRO QD 9.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
igr1=1018,1019,1020,1014,1015,1016,
igr2=1025,1026,
&end
#
# 65 LEU QQD 163 ALA QB 7.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.38, r4=12.88,
igr1=1018,1019,1020,1014,1015,1016,
igr2=2560,2561,2562,
&end
#
# 65 LEU QQD 170 ARG+ HA 7.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2675, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1018,1019,1020,1014,1015,1016,
&end
#
# 65 LEU QQD 170 ARG+ QD 10.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
igr1=1018,1019,1020,1014,1015,1016,
igr2=2683,2684,
&end
#
# 66 PRO QB 67 ASP- HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1031,1032,
&end
#
# 66 PRO QD 67 ASP- HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1025,1026,
&end
#
# 67 ASP- HN 68 LEU HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=1038,1050, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 67 ASP- HB2 68 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1042,1050, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 67 ASP- HB3 68 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1043,1050, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 68 LEU HN 68 LEU HG 5.70
&rst
ixpk= 0, nxpk= 0, iat=1050,1057, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 68 LEU HN 68 LEU QD1 6.20
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr2=1059,1060,1061,
&end
#
# 68 LEU HN 68 LEU QD2 6.20
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr2=1063,1064,1065,
&end
#
# 68 LEU HN 68 LEU QQD 5.84
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2=1063,1064,1065,1059,1060,1061,
&end
#
# 68 LEU HA 68 LEU QD1 7.40
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr2=1059,1060,1061,
&end
#
# 68 LEU HA 68 LEU QD2 7.40
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr2=1063,1064,1065,
&end
#
# 68 LEU HB2 69 THR HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=1054,1069, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 68 LEU HB3 69 THR HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=1055,1069, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 68 LEU QB 69 THR HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1054,1055,
&end
#
# 68 LEU QB 70 PRO QD 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1=1054,1055,
igr2=1084,1085,
&end
#
# 68 LEU QD1 69 THR HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1=1059,1060,1061,
&end
#
# 68 LEU QD2 69 THR HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1=1063,1064,1065,
&end
#
# 68 LEU QQD 70 PRO QB 10.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
igr1=1063,1064,1065,1059,1060,1061,
igr2=1090,1091,
&end
#
# 68 LEU QQD 70 PRO QD 10.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.39, r4=15.89,
igr1=1063,1064,1065,1059,1060,1061,
igr2=1084,1085,
&end
#
# 69 THR HN 69 THR HG1 6.50
&rst
ixpk= 0, nxpk= 0, iat=1069,1079, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 69 THR HN 70 PRO QB 7.12
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr2=1090,1091,
&end
#
# 69 THR HN 70 PRO QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1084,1085,
&end
#
# 69 THR QG2 71 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1075,1076,1077,
&end
#
# 69 THR QG2 71 LEU HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1075,1076,1077,
&end
#
# 69 THR QG2 71 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
igr1=1075,1076,1077,
igr2=1106,1107,1108,
&end
#
# 69 THR QG2 71 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
igr1=1075,1076,1077,
igr2=1110,1111,1112,
&end
#
# 69 THR QG2 71 LEU QQD 7.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98,
igr1=1075,1076,1077,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 69 THR QG2 97 VAL HB 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1075,1076,1077,
&end
#
# 70 PRO HA 96 LEU QQD 6.57
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 8.86, r4= 9.36,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 70 PRO HB2 97 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1090,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 70 PRO HB3 97 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1091,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 70 PRO QB 96 LEU HN 6.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1090,1091,
&end
#
# 70 PRO QG 96 LEU HA 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=1087,1088,
&end
#
# 71 LEU HN 71 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1097,1104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HN 71 LEU QD1 6.80
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2=1106,1107,1108,
&end
#
# 71 LEU HN 71 LEU QD2 6.80
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2=1110,1111,1112,
&end
#
# 71 LEU HN 71 LEU QQD 6.36
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
igr2=1110,1111,1112,1106,1107,1108,
&end
#
# 71 LEU HN 96 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 71 LEU HA 71 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1106,1107,1108,
&end
#
# 71 LEU HA 71 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1110,1111,1112,
&end
#
# 71 LEU HA 97 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1099,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 71 LEU HA 97 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=1099,1530, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 71 LEU HA 97 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 71 LEU HB2 72 PHE HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1101,1116, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 71 LEU HB3 72 PHE HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1102,1116, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 71 LEU QB 72 PHE HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1101,1102,
&end
#
# 71 LEU QB 73 ILE QD1 6.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=1101,1102,
igr2=1149,1150,1151,
&end
#
# 71 LEU QB 97 VAL HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=1101,1102,
&end
#
# 71 LEU QB 99 LEU HN 6.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1101,1102,
&end
#
# 71 LEU HG 72 PHE HN 5.90
&rst
ixpk= 0, nxpk= 0, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 71 LEU HG 97 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1104,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 71 LEU QD1 72 PHE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1106,1107,1108,
&end
#
# 71 LEU QD1 73 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1106,1107,1108,
igr2=1149,1150,1151,
&end
#
# 71 LEU QD1 97 VAL QG1 8.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=1106,1107,1108,
igr2=1532,1533,1534,
&end
#
# 71 LEU QD1 97 VAL QG2 8.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=1106,1107,1108,
igr2=1536,1537,1538,
&end
#
# 71 LEU QD1 99 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1106,1107,1108,
&end
#
# 71 LEU QD1 99 LEU QD1 10.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.62, r4=15.12,
igr1=1106,1107,1108,
igr2=1558,1559,1560,
&end
#
# 71 LEU QD1 99 LEU QD2 10.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.62, r4=15.12,
igr1=1106,1107,1108,
igr2=1562,1563,1564,
&end
#
# 71 LEU QD2 72 PHE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1110,1111,1112,
&end
#
# 71 LEU QD2 73 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1110,1111,1112,
igr2=1149,1150,1151,
&end
#
# 71 LEU QD2 97 VAL QG1 8.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=1110,1111,1112,
igr2=1532,1533,1534,
&end
#
# 71 LEU QD2 97 VAL QG2 8.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=1110,1111,1112,
igr2=1536,1537,1538,
&end
#
# 71 LEU QD2 99 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1110,1111,1112,
&end
#
# 71 LEU QD2 99 LEU QD1 10.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.62, r4=15.12,
igr1=1110,1111,1112,
igr2=1558,1559,1560,
&end
#
# 71 LEU QD2 99 LEU QD2 10.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.62, r4=15.12,
igr1=1110,1111,1112,
igr2=1562,1563,1564,
&end
#
# 71 LEU QQD 72 PHE HN 7.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
igr1=1110,1111,1112,1106,1107,1108,
&end
#
# 71 LEU QQD 73 ILE QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1110,1111,1112,1106,1107,1108,
igr2=1149,1150,1151,
&end
#
# 71 LEU QQD 97 VAL HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1=1110,1111,1112,1106,1107,1108,
&end
#
# 71 LEU QQD 97 VAL HB 7.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1110,1111,1112,1106,1107,1108,
&end
#
# 71 LEU QQD 97 VAL QQG 6.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.61, r4=13.11,
igr1=1110,1111,1112,1106,1107,1108,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 71 LEU QQD 98 GLY HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1=1110,1111,1112,1106,1107,1108,
&end
#
# 71 LEU QQD 99 LEU QQD 8.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.68, r4=15.18,
igr1=1110,1111,1112,1106,1107,1108,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 72 PHE HN 73 ILE HN 5.90
&rst
ixpk= 0, nxpk= 0, iat=1116,1136, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 72 PHE HN 97 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1116,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 72 PHE HN 97 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=1116,1530, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 72 PHE HN 97 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1532,1533,1534,1536,1537,1538,
&end
#
# 72 PHE HN 98 GLY HA2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1116,1544, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 72 PHE HN 98 GLY HA3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1116,1545, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 72 PHE HN 99 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1116,1549, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 72 PHE HA 73 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=1118,1140, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 72 PHE HB2 73 ILE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1120,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 72 PHE HB3 73 ILE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 72 PHE QD 73 ILE HN 8.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
igr1=1124,1132,
&end
#
# 72 PHE QD 85 ILE QG2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1124,1132,
igr2=1329,1330,1331,
&end
#
# 72 PHE QD 85 ILE QD1 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1124,1132,
igr2=1336,1337,1338,
&end
#
# 72 PHE QD 89 VAL HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=1124,1132,
&end
#
# 72 PHE QD 96 LEU QD1 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1124,1132,
igr2=1516,1517,1518,
&end
#
# 72 PHE QD 96 LEU QD2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1124,1132,
igr2=1520,1521,1522,
&end
#
# 72 PHE QD 99 LEU HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=1124,1132,
&end
#
# 72 PHE QE 73 ILE HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=1126,1130,
&end
#
# 72 PHE QE 85 ILE QG2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1126,1130,
igr2=1329,1330,1331,
&end
#
# 73 ILE HN 73 ILE HG12 6.50
&rst
ixpk= 0, nxpk= 0, iat=1136,1146, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 73 ILE HN 73 ILE HG13 6.50
&rst
ixpk= 0, nxpk= 0, iat=1136,1147, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 73 ILE HN 73 ILE QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1146,1147,
&end
#
# 73 ILE HN 73 ILE QD1 6.60
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1149,1150,1151,
&end
#
# 73 ILE HA 99 LEU HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=1138,1549, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 73 ILE HA 99 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1558,1559,1560,
&end
#
# 73 ILE HA 99 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1562,1563,1564,
&end
#
# 73 ILE HB 73 ILE QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1149,1150,1151,
&end
#
# 73 ILE HB 109 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 73 ILE QG2 73 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1142,1143,1144,
igr2=1149,1150,1151,
&end
#
# 73 ILE QG2 99 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1142,1143,1144,
&end
#
# 73 ILE QG2 99 LEU HB2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1142,1143,1144,
&end
#
# 73 ILE QG2 99 LEU HB3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1142,1143,1144,
&end
#
# 73 ILE QG2 99 LEU QQD 9.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.01, r4=15.51,
igr1=1142,1143,1144,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 73 ILE QG2 106 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
igr1=1142,1143,1144,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 73 ILE QG2 109 VAL QG1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=1142,1143,1144,
igr2=1708,1709,1710,
&end
#
# 73 ILE QG2 109 VAL QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=1142,1143,1144,
igr2=1712,1713,1714,
&end
#
# 73 ILE QG2 110 ALA HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1142,1143,1144,
&end
#
# 73 ILE QG1 99 LEU HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=1146,1147,
&end
#
# 73 ILE QG1 99 LEU QQD 10.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
igr1=1146,1147,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 73 ILE QD1 74 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1149,1150,1151,
&end
#
# 73 ILE QD1 99 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1149,1150,1151,
&end
#
# 73 ILE QD1 99 LEU HB2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1553, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1149,1150,1151,
&end
#
# 73 ILE QD1 99 LEU HB3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1149,1150,1151,
&end
#
# 73 ILE QD1 99 LEU QD1 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1=1149,1150,1151,
igr2=1558,1559,1560,
&end
#
# 73 ILE QD1 99 LEU QD2 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1=1149,1150,1151,
igr2=1562,1563,1564,
&end
#
# 73 ILE QD1 99 LEU QQD 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=1149,1150,1151,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 73 ILE QD1 109 VAL HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1149,1150,1151,
&end
#
# 73 ILE QD1 109 VAL QG1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=1149,1150,1151,
igr2=1708,1709,1710,
&end
#
# 73 ILE QD1 109 VAL QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=1149,1150,1151,
igr2=1712,1713,1714,
&end
#
# 74 SER HN 100 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1574,1575,1576,
&end
#
# 74 SER HA 76 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1157,1185, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 74 SER QB 76 ASP- HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=1159,1160,
&end
#
# 74 SER QB 85 ILE QG1 8.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1=1159,1160,
igr2=1333,1334,
&end
#
# 74 SER QB 85 ILE QD1 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1=1159,1160,
igr2=1336,1337,1338,
&end
#
# 75 ILE HN 75 ILE HG12 6.60
&rst
ixpk= 0, nxpk= 0, iat=1166,1176, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 75 ILE HN 75 ILE HG13 6.60
&rst
ixpk= 0, nxpk= 0, iat=1166,1177, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 75 ILE HN 75 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1179,1180,1181,
&end
#
# 75 ILE HN 76 ASP- HA 6.60
&rst
ixpk= 0, nxpk= 0, iat=1166,1187, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 75 ILE HA 106 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 75 ILE QG2 106 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
igr1=1172,1173,1174,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 75 ILE QG2 109 VAL HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1172,1173,1174,
&end
#
# 75 ILE QD1 76 ASP- HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1179,1180,1181,
&end
#
# 75 ILE QD1 115 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
igr1=1179,1180,1181,
igr2=1813,1814,1815,1817,1818,1819,
&end
#
# 75 ILE QD1 130 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
igr1=1179,1180,1181,
igr2=2045,2046,2047,2049,2050,2051,
&end
#
# 76 ASP- HN 78 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1185,1211, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 76 ASP- HA 78 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1187,1211, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 76 ASP- HA 130 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=1187,2043, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 77 PRO HA 79 ARG+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1207,1226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 77 PRO HA 80 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1207,1250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 77 PRO HA 101 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1207,1582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 77 PRO HA 106 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 77 PRO HB2 101 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1204,1582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 77 PRO HB3 101 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1205,1582, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 77 PRO QB 102 THR HA 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=1204,1205,
&end
#
# 77 PRO QG 101 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1201,1202,
&end
#
# 77 PRO QG 106 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.37, r4=15.87,
igr1=1201,1202,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 77 PRO HD2 106 VAL QG1 10.72
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2=1663,1664,1665,
&end
#
# 77 PRO HD2 106 VAL QG2 10.72
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2=1667,1668,1669,
&end
#
# 77 PRO HD3 106 VAL QG1 10.72
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2=1663,1664,1665,
&end
#
# 77 PRO HD3 106 VAL QG2 10.72
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2=1667,1668,1669,
&end
#
# 77 PRO QD 106 VAL QQG 9.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30,
igr1=1198,1199,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 78 GLU- HN 78 GLU- HG2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1211,1218, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 78 GLU- HN 78 GLU- HG3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1211,1219, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 78 GLU- HN 78 GLU- QG 5.75
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1218,1219,
&end
#
# 78 GLU- HN 79 ARG+ HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1211,1226, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 78 GLU- HA 80 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1213,1250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 78 GLU- HB2 79 ARG+ HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=1215,1226, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 78 GLU- HB3 79 ARG+ HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=1216,1226, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 78 GLU- HG2 79 ARG+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1218,1226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 78 GLU- HG3 79 ARG+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1219,1226, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 78 GLU- QG 79 ARG+ HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1218,1219,
&end
#
# 79 ARG+ HN 79 ARG+ HG2 6.20
&rst
ixpk= 0, nxpk= 0, iat=1226,1233, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 79 ARG+ HN 79 ARG+ HG3 6.20
&rst
ixpk= 0, nxpk= 0, iat=1226,1234, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 79 ARG+ HN 79 ARG+ QG 5.75
&rst
ixpk= 0, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1233,1234,
&end
#
# 79 ARG+ HN 79 ARG+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1236,1237,
&end
#
# 79 ARG+ HN 80 ASP- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1226,1250, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 79 ARG+ HG2 80 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1233,1250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 79 ARG+ HG3 80 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1234,1250, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 79 ARG+ QD 80 ASP- HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=1236,1237,
&end
#
# 80 ASP- HN 81 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1250,1262, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 80 ASP- HA 82 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1252,1276, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 80 ASP- HA 84 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1252,1313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 80 ASP- HA 84 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1317,1318,1319,
&end
#
# 80 ASP- QB 85 ILE QG1 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1=1254,1255,
igr2=1333,1334,
&end
#
# 80 ASP- QB 85 ILE QD1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1=1254,1255,
igr2=1336,1337,1338,
&end
#
# 81 THR HN 82 LYS+ HN 6.50
&rst
ixpk= 0, nxpk= 0, iat=1262,1276, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 81 THR HN 84 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1317,1318,1319,
&end
#
# 81 THR HA 82 LYS+ HB2 6.20
&rst
ixpk= 0, nxpk= 0, iat=1264,1280, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 81 THR HA 82 LYS+ HB3 6.20
&rst
ixpk= 0, nxpk= 0, iat=1264,1281, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 81 THR HA 82 LYS+ QB 5.79
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1280,1281,
&end
#
# 81 THR HA 83 GLU- HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1264,1298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 THR HA 84 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1264,1313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 81 THR HB 82 LYS+ HN 3.90
&rst
ixpk= 0, nxpk= 0, iat=1266,1276, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 81 THR HB 83 GLU- HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1266,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 THR QG2 82 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1268,1269,1270,
&end
#
# 81 THR QG2 83 GLU- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1268,1269,1270,
&end
#
# 81 THR QG2 84 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1268,1269,1270,
&end
#
# 82 LYS+ HN 82 LYS+ QG 6.38
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=1283,1284,
&end
#
# 82 LYS+ HN 82 LYS+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 LYS+ HN 82 LYS+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 LYS+ HN 82 LYS+ QD 5.04
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1286,1287,
&end
#
# 82 LYS+ HN 83 GLU- HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 LYS+ HA 82 LYS+ HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat=1278,1286, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 82 LYS+ HA 82 LYS+ HD3 6.50
&rst
ixpk= 0, nxpk= 0, iat=1278,1287, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 82 LYS+ HA 82 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1289,1290,
&end
#
# 82 LYS+ HA 84 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1278,1313, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 82 LYS+ HA 85 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=1278,1327, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 82 LYS+ HA 85 ILE QG1 6.28
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=1333,1334,
&end
#
# 82 LYS+ HA 85 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1336,1337,1338,
&end
#
# 82 LYS+ HB2 82 LYS+ QE 7.30
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2=1289,1290,
&end
#
# 82 LYS+ HB3 82 LYS+ QE 7.30
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2=1289,1290,
&end
#
# 82 LYS+ QB 82 LYS+ QE 7.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1=1280,1281,
igr2=1289,1290,
&end
#
# 82 LYS+ QB 83 GLU- HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1280,1281,
&end
#
# 82 LYS+ HG2 83 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1283,1298, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 82 LYS+ HG3 83 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1284,1298, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 82 LYS+ HD2 83 GLU- HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=1286,1298, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 82 LYS+ HD3 83 GLU- HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=1287,1298, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 82 LYS+ QD 83 GLU- HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1286,1287,
&end
#
# 82 LYS+ QE 83 GLU- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1289,1290,
&end
#
# 83 GLU- HN 83 GLU- HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1298,1302, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 83 GLU- HN 83 GLU- HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1298,1303, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 83 GLU- HN 83 GLU- QB 3.46
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1302,1303,
&end
#
# 83 GLU- HN 83 GLU- HG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1298,1305, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 83 GLU- HN 83 GLU- HG3 4.90
&rst
ixpk= 0, nxpk= 0, iat=1298,1306, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 83 GLU- HN 83 GLU- QG 4.67
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1305,1306,
&end
#
# 83 GLU- HN 84 ALA HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 83 GLU- HN 84 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1317,1318,1319,
&end
#
# 83 GLU- HN 86 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1346,1347,1348,
&end
#
# 83 GLU- HA 85 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1300,1323, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 83 GLU- HA 86 ALA HN 6.30
&rst
ixpk= 0, nxpk= 0, iat=1300,1342, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 83 GLU- HA 86 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1346,1347,1348,
&end
#
# 83 GLU- HA 87 ASN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1300,1352, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 83 GLU- HB2 84 ALA HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1302,1313, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 83 GLU- HB3 84 ALA HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1303,1313, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 83 GLU- HG2 84 ALA HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=1305,1313, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 83 GLU- HG3 84 ALA HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=1306,1313, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 83 GLU- QG 84 ALA HN 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1305,1306,
&end
#
# 84 ALA HN 84 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1317,1318,1319,
&end
#
# 84 ALA HN 85 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1313,1323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 ALA HN 85 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1329,1330,1331,
&end
#
# 84 ALA HN 85 ILE QG1 7.48
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1333,1334,
&end
#
# 84 ALA HN 86 ALA HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=1313,1342, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 84 ALA HN 86 ALA QB 7.00
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1346,1347,1348,
&end
#
# 84 ALA HA 86 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1315,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 84 ALA HA 87 ASN HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=1315,1352, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 84 ALA HA 87 ASN HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1315,1356, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 84 ALA HA 87 ASN HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1315,1357, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 84 ALA QB 85 ILE HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1317,1318,1319,
&end
#
# 84 ALA QB 85 ILE HA 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1317,1318,1319,
&end
#
# 84 ALA QB 87 ASN QB 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1=1317,1318,1319,
igr2=1356,1357,
&end
#
# 84 ALA QB 87 ASN QD2 8.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.42, r4=11.92,
igr1=1317,1318,1319,
igr2=1361,1362,
&end
#
# 85 ILE HN 85 ILE HG12 6.60
&rst
ixpk= 0, nxpk= 0, iat=1323,1333, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 85 ILE HN 85 ILE HG13 6.60
&rst
ixpk= 0, nxpk= 0, iat=1323,1334, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 85 ILE HN 85 ILE QG1 6.06
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1333,1334,
&end
#
# 85 ILE HN 85 ILE QD1 6.40
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2=1336,1337,1338,
&end
#
# 85 ILE HN 86 ALA HN 4.30
&rst
ixpk= 0, nxpk= 0, iat=1323,1342, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 85 ILE HN 86 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1346,1347,1348,
&end
#
# 85 ILE HN 87 ASN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1323,1352, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 85 ILE HA 87 ASN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1325,1352, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 85 ILE HA 88 TYR HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=1325,1366, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 85 ILE HA 88 TYR QB 7.48
&rst
ixpk= 0, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1370,1371,
&end
#
# 85 ILE HB 86 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1327,1342, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 85 ILE HB 87 ASN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1327,1352, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 85 ILE QG2 86 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1329,1330,1331,
&end
#
# 85 ILE QG2 86 ALA QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=1329,1330,1331,
igr2=1346,1347,1348,
&end
#
# 85 ILE QG2 88 TYR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1329,1330,1331,
&end
#
# 85 ILE QG2 89 VAL HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1329,1330,1331,
&end
#
# 85 ILE QG2 97 VAL HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1329,1330,1331,
&end
#
# 85 ILE QG2 98 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1329,1330,1331,
&end
#
# 85 ILE QG2 98 GLY HA2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1329,1330,1331,
&end
#
# 85 ILE QG2 98 GLY HA3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1329,1330,1331,
&end
#
# 85 ILE QG2 99 LEU HN 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr1=1329,1330,1331,
&end
#
# 85 ILE QG1 86 ALA HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=1333,1334,
&end
#
# 85 ILE QD1 86 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1336,1337,1338,
&end
#
# 85 ILE QD1 87 ASN HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1336,1337,1338,
&end
#
# 85 ILE QD1 99 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1336,1337,1338,
&end
#
# 85 ILE QD1 100 THR HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1336,1337,1338,
&end
#
# 85 ILE QD1 100 THR HB 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1336,1337,1338,
&end
#
# 85 ILE QD1 100 THR QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=1336,1337,1338,
igr2=1574,1575,1576,
&end
#
# 86 ALA HN 87 ASN HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1342,1352, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 86 ALA HN 89 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1393,1394,1395,1397,1398,1399,
&end
#
# 86 ALA HA 88 TYR HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=1344,1366, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 86 ALA HA 89 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1344,1387, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 86 ALA HA 89 VAL HB 6.50
&rst
ixpk= 0, nxpk= 0, iat=1344,1391, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 86 ALA HA 89 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1393,1394,1395,
&end
#
# 86 ALA HA 89 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1397,1398,1399,
&end
#
# 86 ALA HA 89 VAL QQG 7.04
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 9.49, r4= 9.99,
igr2=1393,1394,1395,1397,1398,1399,
&end
#
# 86 ALA QB 87 ASN HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1346,1347,1348,
&end
#
# 86 ALA QB 87 ASN HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1346,1347,1348,
&end
#
# 86 ALA QB 89 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1346,1347,1348,
&end
#
# 86 ALA QB 89 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
igr1=1346,1347,1348,
igr2=1393,1394,1395,1397,1398,1399,
&end
#
# 87 ASN HN 87 ASN HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1352,1356, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 87 ASN HN 87 ASN HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=1352,1357, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 87 ASN HN 87 ASN QB 3.70
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1356,1357,
&end
#
# 87 ASN HN 87 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1352,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ASN HN 87 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1352,1362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ASN HN 87 ASN QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1361,1362,
&end
#
# 87 ASN HN 89 VAL HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=1352,1387, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 87 ASN HN 89 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1393,1394,1395,1397,1398,1399,
&end
#
# 87 ASN HN 90 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1352,1403, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 87 ASN HA 87 ASN HD21 5.70
&rst
ixpk= 0, nxpk= 0, iat=1354,1361, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 87 ASN HA 87 ASN HD22 5.70
&rst
ixpk= 0, nxpk= 0, iat=1354,1362, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 87 ASN HA 90 LYS+ HN 6.30
&rst
ixpk= 0, nxpk= 0, iat=1354,1403, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 87 ASN HA 90 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1416,1417,
&end
#
# 87 ASN HB2 88 TYR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1356,1366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 ASN HB2 90 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1356,1403, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 87 ASN HB2 90 LYS+ QG 7.30
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2=1410,1411,
&end
#
# 87 ASN HB3 88 TYR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1357,1366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 ASN HB3 90 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1357,1403, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 87 ASN HB3 90 LYS+ QG 7.30
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2=1410,1411,
&end
#
# 87 ASN QB 88 TYR HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1356,1357,
&end
#
# 87 ASN QB 90 LYS+ QG 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
igr1=1356,1357,
igr2=1410,1411,
&end
#
# 88 TYR HN 89 VAL HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1366,1387, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 88 TYR HN 89 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1393,1394,1395,
&end
#
# 88 TYR HN 89 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1397,1398,1399,
&end
#
# 88 TYR HN 90 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1366,1403, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 88 TYR HN 91 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1366,1425, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 88 TYR HA 91 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1368,1425, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 88 TYR HB2 89 VAL HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=1370,1387, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 88 TYR HB3 89 VAL HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=1371,1387, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 88 TYR QD 89 VAL QQG 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1=1374,1383,
igr2=1393,1394,1395,1397,1398,1399,
&end
#
# 89 VAL HN 90 LYS+ HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1387,1403, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 89 VAL HN 90 LYS+ QG 7.60
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1410,1411,
&end
#
# 89 VAL HN 90 LYS+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1413,1414,
&end
#
# 89 VAL HN 91 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1387,1425, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 89 VAL HN 92 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1448,1456,
&end
#
# 89 VAL HN 96 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 89 VAL HA 92 PHE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1389,1440, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 89 VAL HA 96 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 89 VAL QG1 90 LYS+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1393,1394,1395,
&end
#
# 89 VAL QG1 90 LYS+ HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1393,1394,1395,
&end
#
# 89 VAL QG1 98 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1393,1394,1395,
&end
#
# 89 VAL QG2 90 LYS+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1397,1398,1399,
&end
#
# 89 VAL QG2 90 LYS+ HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1397,1398,1399,
&end
#
# 89 VAL QG2 98 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1397,1398,1399,
&end
#
# 89 VAL QQG 90 LYS+ HN 6.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr1=1393,1394,1395,1397,1398,1399,
&end
#
# 89 VAL QQG 91 GLU- HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1=1393,1394,1395,1397,1398,1399,
&end
#
# 89 VAL QQG 92 PHE HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1=1393,1394,1395,1397,1398,1399,
&end
#
# 89 VAL QQG 93 SER HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1=1393,1394,1395,1397,1398,1399,
&end
#
# 89 VAL QQG 97 VAL HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1=1393,1394,1395,1397,1398,1399,
&end
#
# 89 VAL QQG 97 VAL HA 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1=1393,1394,1395,1397,1398,1399,
&end
#
# 90 LYS+ HN 90 LYS+ QG 6.30
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1410,1411,
&end
#
# 90 LYS+ HN 90 LYS+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1413,1414,
&end
#
# 90 LYS+ HN 91 GLU- HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1403,1425, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 90 LYS+ HN 91 GLU- HG2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1403,1432, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 90 LYS+ HN 91 GLU- HG3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1403,1433, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 90 LYS+ HN 91 GLU- QG 6.25
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=1432,1433,
&end
#
# 90 LYS+ HN 92 PHE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=1403,1440, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 90 LYS+ HA 90 LYS+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1413,1414,
&end
#
# 90 LYS+ HA 93 SER HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=1405,1460, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 90 LYS+ QB 90 LYS+ QE 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1=1407,1408,
igr2=1416,1417,
&end
#
# 90 LYS+ QB 91 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1407,1408,
&end
#
# 90 LYS+ QG 91 GLU- HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1410,1411,
&end
#
# 90 LYS+ QG 93 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1410,1411,
&end
#
# 90 LYS+ QD 91 GLU- HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1413,1414,
&end
#
# 90 LYS+ QD 93 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1413,1414,
&end
#
# 91 GLU- HN 91 GLU- HB2 3.20
&rst
ixpk= 0, nxpk= 0, iat=1425,1429, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 91 GLU- HN 91 GLU- HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat=1425,1430, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 91 GLU- HN 91 GLU- QB 2.69
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2=1429,1430,
&end
#
# 91 GLU- HN 91 GLU- HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 GLU- HN 91 GLU- HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1425,1433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 GLU- HN 91 GLU- QG 4.26
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1432,1433,
&end
#
# 91 GLU- HN 92 PHE HN 4.10
&rst
ixpk= 0, nxpk= 0, iat=1425,1440, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 91 GLU- HN 92 PHE QD 7.90
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37,
igr2=1448,1456,
&end
#
# 91 GLU- HN 92 PHE QE 8.60
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1450,1454,
&end
#
# 91 GLU- HA 92 PHE HA 6.60
&rst
ixpk= 0, nxpk= 0, iat=1427,1442, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 91 GLU- HA 92 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1448,1456,
&end
#
# 91 GLU- HA 93 SER HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=1427,1460, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 91 GLU- HB2 92 PHE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=1429,1440, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 91 GLU- HB3 92 PHE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=1430,1440, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 91 GLU- HG2 92 PHE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1432,1440, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 91 GLU- HG3 92 PHE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1433,1440, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 91 GLU- QG 92 PHE HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1432,1433,
&end
#
# 92 PHE HN 92 PHE QE 7.50
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2=1450,1454,
&end
#
# 92 PHE HN 92 PHE HZ 5.20
&rst
ixpk= 0, nxpk= 0, iat=1440,1452, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 92 PHE HN 96 LEU QB 7.48
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1511,1512,
&end
#
# 92 PHE HN 96 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 92 PHE HA 92 PHE HZ 6.60
&rst
ixpk= 0, nxpk= 0, iat=1442,1452, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 92 PHE HB2 93 SER HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1444,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 92 PHE HB2 96 LEU QD1 10.74
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=1516,1517,1518,
&end
#
# 92 PHE HB2 96 LEU QD2 10.74
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=1520,1521,1522,
&end
#
# 92 PHE HB3 93 SER HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1445,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 92 PHE HB3 96 LEU QD1 10.74
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=1516,1517,1518,
&end
#
# 92 PHE HB3 96 LEU QD2 10.74
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr2=1520,1521,1522,
&end
#
# 92 PHE QB 96 LEU QQD 9.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
igr1=1444,1445,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 92 PHE QD 93 SER HN 8.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70,
igr1=1448,1456,
&end
#
# 92 PHE QE 93 SER HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=1450,1454,
&end
#
# 93 SER HN 94 PRO QB 7.12
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr2=1478,1479,
&end
#
# 93 SER HN 95 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1460,1485, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 93 SER HN 96 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1460,1507, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 93 SER HN 96 LEU HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1460,1511, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 93 SER HN 96 LEU HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1460,1512, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 93 SER HN 96 LEU QB 6.44
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2=1511,1512,
&end
#
# 93 SER HN 96 LEU QQD 8.87
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 93 SER HA 94 PRO QB 6.28
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=1478,1479,
&end
#
# 93 SER HA 95 LYS+ HN 6.50
&rst
ixpk= 0, nxpk= 0, iat=1462,1485, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 93 SER HA 96 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1462,1507, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 93 SER QB 95 LYS+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1464,1465,
&end
#
# 93 SER QB 96 LEU HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=1464,1465,
&end
#
# 93 SER QB 96 LEU QB 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1=1464,1465,
igr2=1511,1512,
&end
#
# 94 PRO HA 96 LEU HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=1481,1507, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 95 LYS+ HN 95 LYS+ QG 6.10
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1492,1493,
&end
#
# 95 LYS+ HN 95 LYS+ QD 6.60
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1495,1496,
&end
#
# 95 LYS+ HN 96 LEU HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=1485,1507, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 95 LYS+ HN 96 LEU QB 6.68
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2=1511,1512,
&end
#
# 95 LYS+ QG 96 LEU HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=1492,1493,
&end
#
# 95 LYS+ QD 96 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1495,1496,
&end
#
# 96 LEU HN 96 LEU HG 5.40
&rst
ixpk= 0, nxpk= 0, iat=1507,1514, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 96 LEU HN 96 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1516,1517,1518,
&end
#
# 96 LEU HN 96 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1520,1521,1522,
&end
#
# 96 LEU HN 96 LEU QQD 6.28
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr2=1520,1521,1522,1516,1517,1518,
&end
#
# 96 LEU HN 97 VAL HN 5.70
&rst
ixpk= 0, nxpk= 0, iat=1507,1526, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 96 LEU HB2 97 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1511,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 96 LEU HB3 97 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1512,1526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 96 LEU QB 97 VAL HN 6.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1511,1512,
&end
#
# 96 LEU QD1 97 VAL HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1516,1517,1518,
&end
#
# 96 LEU QD2 97 VAL HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1520,1521,1522,
&end
#
# 96 LEU QQD 97 VAL HN 7.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 9.75, r4=10.25,
igr1=1520,1521,1522,1516,1517,1518,
&end
#
# 97 VAL HN 98 GLY HN 5.90
&rst
ixpk= 0, nxpk= 0, iat=1526,1542, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 97 VAL HB 98 GLY HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=1530,1542, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 97 VAL HB 99 LEU QQD 7.17
&rst
ixpk= 0, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 97 VAL QQG 98 GLY HN 8.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1542, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1=1532,1533,1534,1536,1537,1538,
&end
#
# 98 GLY HN 99 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1542,1549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 GLY QA 99 LEU QQD 10.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
igr1=1544,1545,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 99 LEU HN 99 LEU HG 6.60
&rst
ixpk= 0, nxpk= 0, iat=1549,1556, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 99 LEU HN 99 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1558,1559,1560,
&end
#
# 99 LEU HN 99 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1562,1563,1564,
&end
#
# 99 LEU HN 99 LEU QQD 5.91
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr2=1562,1563,1564,1558,1559,1560,
&end
#
# 99 LEU HN 100 THR HN 5.60
&rst
ixpk= 0, nxpk= 0, iat=1549,1568, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 99 LEU HA 99 LEU QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1558,1559,1560,
&end
#
# 99 LEU HA 99 LEU QD2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1562,1563,1564,
&end
#
# 99 LEU HA 100 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1574,1575,1576,
&end
#
# 99 LEU HB2 100 THR HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1553,1568, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 99 LEU HB3 100 THR HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1554,1568, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 99 LEU HG 100 THR HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=1556,1568, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 99 LEU QD1 100 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1558,1559,1560,
&end
#
# 99 LEU QD2 100 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1562,1563,1564,
&end
#
# 99 LEU QQD 100 THR HN 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1=1562,1563,1564,1558,1559,1560,
&end
#
# 100 THR HN 100 THR HG1 5.20
&rst
ixpk= 0, nxpk= 0, iat=1568,1578, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 100 THR HN 101 GLY HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=1568,1582, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 100 THR HA 106 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1570, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 100 THR HB 101 GLY HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=1572,1582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 100 THR QG2 101 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1574,1575,1576,
&end
#
# 100 THR HG1 101 GLY HN 6.30
&rst
ixpk= 0, nxpk= 0, iat=1578,1582, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 101 GLY HN 102 THR HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=1582,1589, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 101 GLY HN 102 THR HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=1582,1593, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 101 GLY HN 102 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1595,1596,1597,
&end
#
# 101 GLY HN 105 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1649,1650,
&end
#
# 101 GLY HN 106 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1582,1657, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 101 GLY HN 106 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1663,1664,1665,
&end
#
# 101 GLY HN 106 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1667,1668,1669,
&end
#
# 101 GLY HN 106 VAL QQG 7.29
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 101 GLY HA2 105 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1649,1650,
&end
#
# 101 GLY HA3 105 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1649,1650,
&end
#
# 101 GLY QA 102 THR QG2 6.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
igr1=1584,1585,
igr2=1595,1596,1597,
&end
#
# 102 THR HN 102 THR QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1595,1596,1597,
&end
#
# 102 THR HN 102 THR HG1 6.50
&rst
ixpk= 0, nxpk= 0, iat=1589,1599, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 102 THR HN 103 ARG+ HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=1589,1603, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 102 THR HN 105 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1589,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 102 THR HN 105 GLU- HA 6.50
&rst
ixpk= 0, nxpk= 0, iat=1589,1644, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 102 THR HN 105 GLU- QG 6.40
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=1649,1650,
&end
#
# 102 THR HN 106 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1663,1664,1665,
&end
#
# 102 THR HN 106 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1667,1668,1669,
&end
#
# 102 THR HN 106 VAL QQG 7.34
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 102 THR HA 104 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1591,1627, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 102 THR HA 105 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1591,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 102 THR HB 103 ARG+ HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=1593,1603, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 102 THR QG2 103 ARG+ HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1595,1596,1597,
&end
#
# 102 THR QG2 104 GLU- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1595,1596,1597,
&end
#
# 102 THR QG2 105 GLU- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1595,1596,1597,
&end
#
# 102 THR QG2 105 GLU- QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1=1595,1596,1597,
igr2=1646,1647,
&end
#
# 102 THR QG2 105 GLU- QG 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1=1595,1596,1597,
igr2=1649,1650,
&end
#
# 103 ARG+ HN 103 ARG+ HG2 5.40
&rst
ixpk= 0, nxpk= 0, iat=1603,1610, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 103 ARG+ HN 103 ARG+ HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat=1603,1611, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 103 ARG+ HN 103 ARG+ QG 5.23
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1610,1611,
&end
#
# 103 ARG+ HN 103 ARG+ HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1603,1613, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 103 ARG+ HN 103 ARG+ HD3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1603,1614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 103 ARG+ HN 104 GLU- HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1603,1627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ARG+ HN 105 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1603,1642, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 103 ARG+ HN 106 VAL HB 5.70
&rst
ixpk= 0, nxpk= 0, iat=1603,1661, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 103 ARG+ HN 106 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 103 ARG+ HA 103 ARG+ HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1605,1613, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 103 ARG+ HA 103 ARG+ HD3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1605,1614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 103 ARG+ HA 103 ARG+ QD 6.10
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1613,1614,
&end
#
# 103 ARG+ HA 106 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1605,1657, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 103 ARG+ HA 106 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=1605,1661, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 103 ARG+ HA 106 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 103 ARG+ HA 107 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1605,1673, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 103 ARG+ QG 104 GLU- HN 6.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1610,1611,
&end
#
# 104 GLU- HN 105 GLU- HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1627,1642, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 104 GLU- HN 105 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1649,1650,
&end
#
# 104 GLU- HN 106 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1663,1664,1665,1667,1668,1669,
&end
#
# 104 GLU- HA 107 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1629,1673, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 104 GLU- HA 107 ASP- HB2 6.30
&rst
ixpk= 0, nxpk= 0, iat=1629,1677, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 104 GLU- HA 107 ASP- HB3 6.30
&rst
ixpk= 0, nxpk= 0, iat=1629,1678, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 104 GLU- HA 107 ASP- QB 6.14
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1677,1678,
&end
#
# 105 GLU- HN 105 GLU- QG 6.10
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1649,1650,
&end
#
# 105 GLU- HN 106 VAL HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=1642,1657, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 105 GLU- HN 106 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1663,1664,1665,
&end
#
# 105 GLU- HN 106 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1667,1668,1669,
&end
#
# 105 GLU- HA 107 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1644,1673, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 105 GLU- QB 108 GLN HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1646,1647,
&end
#
# 105 GLU- QG 106 VAL HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1657, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1649,1650,
&end
#
# 105 GLU- QG 107 ASP- HN 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1=1649,1650,
&end
#
# 106 VAL HA 109 VAL HN 6.30
&rst
ixpk= 0, nxpk= 0, iat=1659,1702, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 106 VAL HA 109 VAL HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=1659,1706, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 106 VAL HA 109 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 106 VAL HB 107 ASP- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1661,1673, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 106 VAL QG1 107 ASP- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1663,1664,1665,
&end
#
# 106 VAL QG1 108 GLN HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1663,1664,1665,
&end
#
# 106 VAL QG2 107 ASP- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1667,1668,1669,
&end
#
# 106 VAL QG2 108 GLN HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1667,1668,1669,
&end
#
# 106 VAL QQG 109 VAL HN 9.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr1=1663,1664,1665,1667,1668,1669,
&end
#
# 106 VAL QQG 109 VAL QQG 11.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=21.30, r4=21.80,
igr1=1663,1664,1665,1667,1668,1669,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 106 VAL QQG 110 ALA QB 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
igr1=1663,1664,1665,1667,1668,1669,
igr2=1722,1723,1724,
&end
#
# 107 ASP- HN 108 GLN HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=1673,1685, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 107 ASP- HN 109 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1673,1702, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 107 ASP- HA 110 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1675,1718, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 107 ASP- HA 110 ALA QB 5.70
&rst
ixpk= 0, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1722,1723,1724,
&end
#
# 107 ASP- HB2 108 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1677,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 ASP- HB3 108 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1678,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 GLN HN 108 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1685,1692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 GLN HN 108 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1685,1693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 GLN HN 108 GLN QG 5.33
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1692,1693,
&end
#
# 108 GLN HN 108 GLN HE21 5.80
&rst
ixpk= 0, nxpk= 0, iat=1685,1697, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 108 GLN HN 108 GLN HE22 5.80
&rst
ixpk= 0, nxpk= 0, iat=1685,1698, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 108 GLN HN 108 GLN QE2 5.44
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1697,1698,
&end
#
# 108 GLN HN 109 VAL HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1685,1702, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 108 GLN HN 109 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 108 GLN HN 110 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1685,1718, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 108 GLN HN 111 ARG+ HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=1685,1728, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 108 GLN HN 111 ARG+ QD 7.48
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1738,1739,
&end
#
# 108 GLN HA 108 GLN QE2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1697,1698,
&end
#
# 108 GLN HA 111 ARG+ QD 7.48
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1738,1739,
&end
#
# 108 GLN HB2 108 GLN HG2 2.90
&rst
ixpk= 0, nxpk= 0, iat=1689,1692, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 108 GLN HB2 108 GLN HG3 2.90
&rst
ixpk= 0, nxpk= 0, iat=1689,1693, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 108 GLN HB2 108 GLN HE21 5.53
&rst
ixpk= 0, nxpk= 0, iat=1689,1697, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 108 GLN HB2 108 GLN HE22 5.53
&rst
ixpk= 0, nxpk= 0, iat=1689,1698, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 108 GLN HB2 109 VAL HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=1689,1702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 GLN HB2 109 VAL QG1 10.32
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
igr2=1708,1709,1710,
&end
#
# 108 GLN HB2 109 VAL QG2 10.32
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
igr2=1712,1713,1714,
&end
#
# 108 GLN HB3 108 GLN HG2 2.90
&rst
ixpk= 0, nxpk= 0, iat=1690,1692, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 108 GLN HB3 108 GLN HG3 2.90
&rst
ixpk= 0, nxpk= 0, iat=1690,1693, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 108 GLN HB3 108 GLN HE21 5.53
&rst
ixpk= 0, nxpk= 0, iat=1690,1697, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 108 GLN HB3 108 GLN HE22 5.53
&rst
ixpk= 0, nxpk= 0, iat=1690,1698, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 108 GLN HB3 109 VAL HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=1690,1702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 GLN HB3 109 VAL QG1 10.32
&rst
ixpk= 0, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
igr2=1708,1709,1710,
&end
#
# 108 GLN HB3 109 VAL QG2 10.32
&rst
ixpk= 0, nxpk= 0, iat=1690, -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
igr2=1712,1713,1714,
&end
#
# 108 GLN QB 108 GLN QG 2.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1689,1690,
igr2=1692,1693,
&end
#
# 108 GLN QB 109 VAL HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1689,1690,
&end
#
# 108 GLN QB 109 VAL QQG 8.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.45, r4=12.95,
igr1=1689,1690,
igr2=1708,1709,1710,1712,1713,1714,
&end
#
# 108 GLN QB 112 ALA HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1689,1690,
&end
#
# 108 GLN HG2 109 VAL HN 5.70
&rst
ixpk= 0, nxpk= 0, iat=1692,1702, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 108 GLN HG2 112 ALA HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1692,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 GLN HG3 109 VAL HN 5.70
&rst
ixpk= 0, nxpk= 0, iat=1693,1702, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 108 GLN HG3 112 ALA HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1693,1752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 GLN QE2 109 VAL HA 7.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,
igr1=1697,1698,
&end
#
# 108 GLN QE2 112 ALA QB 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1=1697,1698,
igr2=1756,1757,1758,
&end
#
# 109 VAL HN 109 VAL HB 3.30
&rst
ixpk= 0, nxpk= 0, iat=1702,1706, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 VAL HN 110 ALA HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1702,1718, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 VAL HN 111 ARG+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1702,1728, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 109 VAL HA 112 ALA HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 VAL HA 112 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1756,1757,1758,
&end
#
# 109 VAL HB 110 ALA HN 5.70
&rst
ixpk= 0, nxpk= 0, iat=1706,1718, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 109 VAL QG1 110 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1708,1709,1710,
&end
#
# 109 VAL QG2 110 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=1712,1713,1714,
&end
#
# 109 VAL QQG 113 TYR QD 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1770,1779,
&end
#
# 109 VAL QQG 113 TYR QE 10.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.58, r4=17.08,
igr1=1708,1709,1710,1712,1713,1714,
igr2=1772,1777,
&end
#
# 110 ALA HN 110 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1722,1723,1724,
&end
#
# 110 ALA HN 111 ARG+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1718,1728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 ALA HN 111 ARG+ HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat=1718,1732, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 110 ALA HN 111 ARG+ HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat=1718,1733, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 110 ALA HN 111 ARG+ QB 5.78
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1732,1733,
&end
#
# 110 ALA HN 112 ALA HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=1718,1752, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 110 ALA HN 112 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1756,1757,1758,
&end
#
# 110 ALA HA 112 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1720,1752, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 110 ALA HA 113 TYR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1720,1762, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 110 ALA HA 113 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1770,1779,
&end
#
# 110 ALA HA 115 VAL HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=1720,1807, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 110 ALA HA 115 VAL HB 6.20
&rst
ixpk= 0, nxpk= 0, iat=1720,1811, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 110 ALA HA 115 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1813,1814,1815,
&end
#
# 110 ALA HA 115 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1817,1818,1819,
&end
#
# 110 ALA QB 111 ARG+ HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1722,1723,1724,
&end
#
# 110 ALA QB 115 VAL QQG 10.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.45, r4=16.95,
igr1=1722,1723,1724,
igr2=1813,1814,1815,1817,1818,1819,
&end
#
# 110 ALA QB 117 TYR QD 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1722,1723,1724,
igr2=1852,1861,
&end
#
# 111 ARG+ HN 111 ARG+ QG 6.50
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1735,1736,
&end
#
# 111 ARG+ HN 111 ARG+ QD 7.48
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1738,1739,
&end
#
# 111 ARG+ HN 112 ALA HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1728,1752, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 111 ARG+ HA 111 ARG+ HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1730,1738, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 111 ARG+ HA 111 ARG+ HD3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1730,1739, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 111 ARG+ HB2 112 ALA HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1732,1752, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 111 ARG+ HB3 112 ALA HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1733,1752, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 111 ARG+ QG 112 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1735,1736,
&end
#
# 111 ARG+ HD2 112 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1738,1752, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 111 ARG+ HD3 112 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1739,1752, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 112 ALA HN 112 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1756,1757,1758,
&end
#
# 112 ALA HN 113 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=1770,1779,
&end
#
# 112 ALA HN 114 ARG+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1752,1783, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 112 ALA QB 113 TYR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1756,1757,1758,
&end
#
# 112 ALA QB 113 TYR QD 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1756,1757,1758,
igr2=1770,1779,
&end
#
# 112 ALA QB 114 ARG+ HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1756,1757,1758,
&end
#
# 113 TYR HN 113 TYR QE 7.30
&rst
ixpk= 0, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2=1772,1777,
&end
#
# 113 TYR HN 114 ARG+ HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1762,1783, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 113 TYR HN 115 VAL HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=1762,1807, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 113 TYR HN 115 VAL QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1813,1814,1815,
&end
#
# 113 TYR HN 115 VAL QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=1817,1818,1819,
&end
#
# 114 ARG+ HN 114 ARG+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1793,1794,
&end
#
# 114 ARG+ HN 115 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1783,1807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ARG+ HN 115 VAL QQG 9.16
&rst
ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3=12.35, r4=12.85,
igr2=1813,1814,1815,1817,1818,1819,
&end
#
# 114 ARG+ HA 114 ARG+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=1793,1794,
&end
#
# 114 ARG+ HA 115 VAL HN 2.80
&rst
ixpk= 0, nxpk= 0, iat=1785,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 VAL HA 133 THR QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2090,2091,2092,
&end
#
# 115 VAL QG1 117 TYR QD 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1813,1814,1815,
igr2=1852,1861,
&end
#
# 115 VAL QG1 133 THR QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=1813,1814,1815,
igr2=2090,2091,2092,
&end
#
# 115 VAL QG2 117 TYR QD 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1817,1818,1819,
igr2=1852,1861,
&end
#
# 115 VAL QG2 133 THR QG2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=1817,1818,1819,
igr2=2090,2091,2092,
&end
#
# 115 VAL QQG 117 TYR QE 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1=1813,1814,1815,1817,1818,1819,
igr2=1854,1859,
&end
#
# 115 VAL QQG 132 HIS QB 10.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.19, r4=15.69,
igr1=1813,1814,1815,1817,1818,1819,
igr2=2071,2072,
&end
#
# 116 TYR QD 133 THR QG2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1831,1840,
igr2=2090,2091,2092,
&end
#
# 116 TYR QE 133 THR QG2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=1833,1838,
igr2=2090,2091,2092,
&end
#
# 118 SER HB2 131 ASP- HB2 8.35
&rst
ixpk= 0, nxpk= 0, iat=1869,2059, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 118 SER HB2 131 ASP- HB3 8.35
&rst
ixpk= 0, nxpk= 0, iat=1869,2060, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 118 SER HB3 131 ASP- HB2 8.35
&rst
ixpk= 0, nxpk= 0, iat=1870,2059, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 118 SER HB3 131 ASP- HB3 8.35
&rst
ixpk= 0, nxpk= 0, iat=1870,2060, r1= 1.30, r2= 1.80, r3= 8.35, r4= 8.85, &end
#
# 118 SER QB 131 ASP- QB 7.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.35, r4= 9.85,
igr1=1869,1870,
igr2=2059,2060,
&end
#
# 119 PRO HB2 130 VAL QG1 10.72
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2=2045,2046,2047,
&end
#
# 119 PRO HB2 130 VAL QG2 10.72
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2=2049,2050,2051,
&end
#
# 119 PRO HB3 130 VAL QG1 10.72
&rst
ixpk= 0, nxpk= 0, iat=1884, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2=2045,2046,2047,
&end
#
# 119 PRO HB3 130 VAL QG2 10.72
&rst
ixpk= 0, nxpk= 0, iat=1884, -1, r1= 1.30, r2= 1.80, r3=12.87, r4=13.37,
igr2=2049,2050,2051,
&end
#
# 119 PRO QB 130 VAL QQG 9.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.80, r4=14.30,
igr1=1883,1884,
igr2=2045,2046,2047,2049,2050,2051,
&end
#
# 121 PRO HA 122 LYS+ QG 7.48
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=1918,1919,
&end
#
# 122 LYS+ HA 122 LYS+ QD 6.90
&rst
ixpk= 0, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr2=1921,1922,
&end
#
# 122 LYS+ HA 122 LYS+ HE2 6.60
&rst
ixpk= 0, nxpk= 0, iat=1913,1924, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 122 LYS+ HA 122 LYS+ HE3 6.60
&rst
ixpk= 0, nxpk= 0, iat=1913,1925, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 122 LYS+ HA 122 LYS+ QE 5.75
&rst
ixpk= 0, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1924,1925,
&end
#
# 122 LYS+ QB 122 LYS+ HE2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1915,1916,
&end
#
# 122 LYS+ QB 122 LYS+ HE3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1925, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1915,1916,
&end
#
# 122 LYS+ QB 122 LYS+ QE 7.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1915,1916,
igr2=1924,1925,
&end
#
# 122 LYS+ QG 128 TYR QD 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1=1918,1919,
igr2=2007,2016,
&end
#
# 122 LYS+ QD 126 GLU- HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=1921,1922,
&end
#
# 122 LYS+ QE 128 TYR QD 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1=1924,1925,
igr2=2007,2016,
&end
#
# 122 LYS+ QE 128 TYR QE 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1=1924,1925,
igr2=2009,2014,
&end
#
# 126 GLU- QB 126 GLU- QG 2.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr1=1976,1977,
igr2=1979,1980,
&end
#
# 127 ASP- HA 128 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2007,2016,
&end
#
# 128 TYR QD 130 VAL QQG 11.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.89, r4=17.39,
igr1=2007,2016,
igr2=2045,2046,2047,2049,2050,2051,
&end
#
# 135 ILE QG2 137 TYR HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2123,2124,2125,
&end
#
# 135 ILE QG2 148 TYR QB 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1=2123,2124,2125,
igr2=2322,2323,
&end
#
# 135 ILE QG2 149 PHE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2123,2124,2125,
&end
#
# 136 MET HB2 136 MET QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2147,2148,2149,
&end
#
# 136 MET HB2 137 TYR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2140,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 136 MET HB3 136 MET QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=2141, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2147,2148,2149,
&end
#
# 136 MET HB3 137 TYR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2141,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 136 MET HG2 137 TYR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2143,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 136 MET HG2 149 PHE QE 8.60
&rst
ixpk= 0, nxpk= 0, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2349,2353,
&end
#
# 136 MET HG3 137 TYR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2144,2153, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 136 MET HG3 149 PHE QE 8.60
&rst
ixpk= 0, nxpk= 0, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2349,2353,
&end
#
# 136 MET QE 149 PHE QD 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2147,2148,2149,
igr2=2347,2355,
&end
#
# 136 MET QE 149 PHE QE 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2147,2148,2149,
igr2=2349,2353,
&end
#
# 136 MET QE 149 PHE HZ 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2147,2148,2149,
&end
#
# 137 TYR HN 137 TYR QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2163,2168,
&end
#
# 137 TYR HN 138 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2153,2174, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 137 TYR HA 148 TYR QB 7.48
&rst
ixpk= 0, nxpk= 0, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2322,2323,
&end
#
# 137 TYR HA 149 PHE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2155,2339, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 137 TYR HA 149 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2347,2355,
&end
#
# 137 TYR HB2 138 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=2157,2174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 TYR HB2 139 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2206,2207,2208,
&end
#
# 137 TYR HB3 138 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=2158,2174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 TYR HB3 139 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2158, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2206,2207,2208,
&end
#
# 137 TYR QD 138 LEU HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2161,2170,
&end
#
# 137 TYR QD 148 TYR HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2161,2170,
&end
#
# 137 TYR QE 149 PHE HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2163,2168,
&end
#
# 138 LEU HN 138 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2183,2184,2185,
&end
#
# 138 LEU HN 138 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2187,2188,2189,
&end
#
# 138 LEU HN 138 LEU QQD 6.05
&rst
ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr2=2187,2188,2189,2183,2184,2185,
&end
#
# 138 LEU HN 139 ILE HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=2174,2193, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 138 LEU HN 146 LEU QB 7.48
&rst
ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2291,2292,
&end
#
# 138 LEU HN 147 ASP- HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=2174,2306, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 138 LEU HN 148 TYR HA 6.60
&rst
ixpk= 0, nxpk= 0, iat=2174,2320, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 138 LEU HN 148 TYR HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2174,2322, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 138 LEU HN 148 TYR HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2174,2323, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 138 LEU HA 138 LEU QD1 6.80
&rst
ixpk= 0, nxpk= 0, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2=2183,2184,2185,
&end
#
# 138 LEU HA 138 LEU QD2 6.80
&rst
ixpk= 0, nxpk= 0, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2=2187,2188,2189,
&end
#
# 138 LEU HA 139 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2206,2207,2208,
&end
#
# 138 LEU HA 146 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat=2176, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2300,2301,2302,2296,2297,2298,
&end
#
# 138 LEU HB2 146 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2178,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 138 LEU HB2 147 ASP- HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2178,2306, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 138 LEU HB3 146 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2179,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 138 LEU HB3 147 ASP- HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2179,2306, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 138 LEU QB 147 ASP- HN 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2178,2179,
&end
#
# 138 LEU QB 149 PHE QE 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1=2178,2179,
igr2=2349,2353,
&end
#
# 138 LEU QB 162 ILE QD1 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1=2178,2179,
igr2=2550,2551,2552,
&end
#
# 138 LEU QD1 139 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2183,2184,2185,
&end
#
# 138 LEU QD1 147 ASP- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2183,2184,2185,
&end
#
# 138 LEU QD1 147 ASP- HB2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2310, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1=2183,2184,2185,
&end
#
# 138 LEU QD1 147 ASP- HB3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2311, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1=2183,2184,2185,
&end
#
# 138 LEU QD1 162 ILE HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2183,2184,2185,
&end
#
# 138 LEU QD2 139 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2187,2188,2189,
&end
#
# 138 LEU QD2 147 ASP- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2187,2188,2189,
&end
#
# 138 LEU QD2 147 ASP- HB2 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2310, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1=2187,2188,2189,
&end
#
# 138 LEU QD2 147 ASP- HB3 10.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2311, r1= 1.30, r2= 1.80, r3=12.90, r4=13.40,
igr1=2187,2188,2189,
&end
#
# 138 LEU QD2 162 ILE HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2187,2188,2189,
&end
#
# 138 LEU QQD 139 ILE HN 7.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1=2187,2188,2189,2183,2184,2185,
&end
#
# 138 LEU QQD 146 LEU HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1=2187,2188,2189,2183,2184,2185,
&end
#
# 138 LEU QQD 146 LEU QQD 8.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.79, r4=15.29,
igr1=2187,2188,2189,2183,2184,2185,
igr2=2300,2301,2302,2296,2297,2298,
&end
#
# 138 LEU QQD 147 ASP- HN 7.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1=2187,2188,2189,2183,2184,2185,
&end
#
# 138 LEU QQD 147 ASP- QB 9.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.81, r4=14.31,
igr1=2187,2188,2189,2183,2184,2185,
igr2=2310,2311,
&end
#
# 138 LEU QQD 149 PHE QE 11.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.90, r4=17.40,
igr1=2187,2188,2189,2183,2184,2185,
igr2=2349,2353,
&end
#
# 138 LEU QQD 162 ILE HA 6.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1=2187,2188,2189,2183,2184,2185,
&end
#
# 138 LEU QQD 162 ILE QG2 9.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=16.14, r4=16.64,
igr1=2187,2188,2189,2183,2184,2185,
igr2=2543,2544,2545,
&end
#
# 138 LEU QQD 165 HIST HD2 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2593, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1=2187,2188,2189,2183,2184,2185,
&end
#
# 139 ILE HN 139 ILE HG12 5.60
&rst
ixpk= 0, nxpk= 0, iat=2193,2203, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 139 ILE HN 139 ILE HG13 5.60
&rst
ixpk= 0, nxpk= 0, iat=2193,2204, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 139 ILE HN 139 ILE QG1 5.43
&rst
ixpk= 0, nxpk= 0, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2203,2204,
&end
#
# 139 ILE HN 139 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=2206,2207,2208,
&end
#
# 139 ILE HN 140 GLY HN 6.50
&rst
ixpk= 0, nxpk= 0, iat=2193,2212, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 139 ILE HN 146 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2193,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 139 ILE HA 146 LEU HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=2195,2287, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 139 ILE HA 147 ASP- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2195,2306, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 139 ILE HB 140 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=2197,2212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 ILE HB 143 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2197,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 139 ILE HB 146 LEU HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2197,2287, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 139 ILE QG2 140 GLY HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2199,2200,2201,
&end
#
# 139 ILE QG2 143 GLY HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2199,2200,2201,
&end
#
# 139 ILE QG2 143 GLY HA2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2199,2200,2201,
&end
#
# 139 ILE QG2 143 GLY HA3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2199,2200,2201,
&end
#
# 139 ILE HG12 140 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2203,2212, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 139 ILE HG13 140 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2204,2212, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 139 ILE QG1 140 GLY HN 6.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2203,2204,
&end
#
# 139 ILE QG1 143 GLY HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=2203,2204,
&end
#
# 139 ILE QG1 145 PHE QD 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1=2203,2204,
igr2=2275,2283,
&end
#
# 139 ILE QD1 140 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2206,2207,2208,
&end
#
# 139 ILE QD1 145 PHE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2206,2207,2208,
&end
#
# 139 ILE QD1 145 PHE HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2206,2207,2208,
&end
#
# 139 ILE QD1 145 PHE QB 8.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.43, r4=11.93,
igr1=2206,2207,2208,
igr2=2271,2272,
&end
#
# 139 ILE QD1 145 PHE QD 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2206,2207,2208,
igr2=2275,2283,
&end
#
# 139 ILE QD1 145 PHE QE 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2206,2207,2208,
igr2=2277,2281,
&end
#
# 139 ILE QD1 146 LEU HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2206,2207,2208,
&end
#
# 139 ILE QD1 147 ASP- HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2206,2207,2208,
&end
#
# 140 GLY HN 143 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2212,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 140 GLY HN 144 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2212,2252, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 140 GLY HN 145 PHE HA 6.60
&rst
ixpk= 0, nxpk= 0, iat=2212,2269, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 140 GLY HN 146 LEU QQD 9.17
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr2=2300,2301,2302,2296,2297,2298,
&end
#
# 140 GLY QA 146 LEU QD1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1=2214,2215,
igr2=2296,2297,2298,
&end
#
# 140 GLY QA 146 LEU QD2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1=2214,2215,
igr2=2300,2301,2302,
&end
#
# 141 PRO HA 143 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2229,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 141 PRO HB2 143 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2226,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 141 PRO HB3 143 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2227,2245, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 141 PRO QB 143 GLY HN 6.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=2226,2227,
&end
#
# 141 PRO QG 143 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2223,2224,
&end
#
# 141 PRO QD 142 ASP- HN 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2233, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2220,2221,
&end
#
# 141 PRO QD 146 LEU QQD 10.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=15.21, r4=15.71,
igr1=2220,2221,
igr2=2300,2301,2302,2296,2297,2298,
&end
#
# 142 ASP- HN 143 GLY HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=2233,2245, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 142 ASP- HN 143 GLY HA2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2233,2247, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 142 ASP- HN 143 GLY HA3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2233,2248, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 142 ASP- HN 143 GLY QA 5.97
&rst
ixpk= 0, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=2247,2248,
&end
#
# 142 ASP- HN 144 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2233,2252, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 142 ASP- HB2 143 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=2237,2245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 142 ASP- HB3 143 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=2238,2245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 143 GLY HN 144 GLU- HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2252, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 144 GLU- HA 145 PHE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=2254,2267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 144 GLU- QG 145 PHE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2267, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2259,2260,
&end
#
# 145 PHE HN 146 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=2267,2287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 PHE HN 146 LEU HA 6.60
&rst
ixpk= 0, nxpk= 0, iat=2267,2289, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 145 PHE HB2 146 LEU HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2271,2287, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 145 PHE HB3 146 LEU HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2272,2287, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 146 LEU HN 146 LEU HG 5.30
&rst
ixpk= 0, nxpk= 0, iat=2287,2294, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 146 LEU HN 146 LEU QD1 6.40
&rst
ixpk= 0, nxpk= 0, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2=2296,2297,2298,
&end
#
# 146 LEU HN 146 LEU QD2 6.40
&rst
ixpk= 0, nxpk= 0, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr2=2300,2301,2302,
&end
#
# 146 LEU HN 147 ASP- HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=2287,2306, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 146 LEU HA 146 LEU QD1 5.90
&rst
ixpk= 0, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2296,2297,2298,
&end
#
# 146 LEU HA 146 LEU QD2 5.90
&rst
ixpk= 0, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2300,2301,2302,
&end
#
# 146 LEU HA 147 ASP- QB 6.38
&rst
ixpk= 0, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=2310,2311,
&end
#
# 146 LEU HB2 147 ASP- HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2291,2306, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 146 LEU HB3 147 ASP- HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2292,2306, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 146 LEU QB 147 ASP- HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=2291,2292,
&end
#
# 146 LEU QD1 165 HIST HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2296,2297,2298,
&end
#
# 146 LEU QD1 165 HIST HB2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2584, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2296,2297,2298,
&end
#
# 146 LEU QD1 165 HIST HB3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2585, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2296,2297,2298,
&end
#
# 146 LEU QD2 165 HIST HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2300,2301,2302,
&end
#
# 146 LEU QD2 165 HIST HB2 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2584, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2300,2301,2302,
&end
#
# 146 LEU QD2 165 HIST HB3 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2585, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2300,2301,2302,
&end
#
# 146 LEU QQD 147 ASP- HN 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1=2300,2301,2302,2296,2297,2298,
&end
#
# 146 LEU QQD 165 HIST HD2 9.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2593, r1= 1.30, r2= 1.80, r3=12.36, r4=12.86,
igr1=2300,2301,2302,2296,2297,2298,
&end
#
# 147 ASP- HN 148 TYR HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2306,2318, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 147 ASP- HB2 148 TYR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=2310,2318, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 147 ASP- HB2 162 ILE HA 6.60
&rst
ixpk= 0, nxpk= 0, iat=2310,2539, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 147 ASP- HB3 148 TYR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=2311,2318, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 147 ASP- HB3 162 ILE HA 6.60
&rst
ixpk= 0, nxpk= 0, iat=2311,2539, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 147 ASP- QB 149 PHE QE 9.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.94, r4=12.44,
igr1=2310,2311,
igr2=2349,2353,
&end
#
# 148 TYR HN 148 TYR QE 6.70
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2=2328,2333,
&end
#
# 148 TYR HN 149 PHE HN 5.70
&rst
ixpk= 0, nxpk= 0, iat=2318,2339, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 148 TYR HN 149 PHE QD 8.40
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
igr2=2347,2355,
&end
#
# 148 TYR HN 149 PHE QE 8.50
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 9.54, r4=10.04,
igr2=2349,2353,
&end
#
# 148 TYR HN 149 PHE HZ 6.60
&rst
ixpk= 0, nxpk= 0, iat=2318,2351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 148 TYR HA 149 PHE QD 8.60
&rst
ixpk= 0, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2347,2355,
&end
#
# 148 TYR HB2 149 PHE HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=2322,2339, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 148 TYR HB3 149 PHE HN 5.80
&rst
ixpk= 0, nxpk= 0, iat=2323,2339, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 149 PHE HN 149 PHE QE 7.40
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr2=2349,2353,
&end
#
# 149 PHE HN 149 PHE HZ 6.60
&rst
ixpk= 0, nxpk= 0, iat=2339,2351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 149 PHE HA 149 PHE HZ 6.60
&rst
ixpk= 0, nxpk= 0, iat=2341,2351, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 149 PHE HB2 150 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2343,2359, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 149 PHE HB3 150 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2344,2359, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 149 PHE QD 150 GLY HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2347,2355,
&end
#
# 149 PHE QD 158 ILE HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2347,2355,
&end
#
# 149 PHE QD 158 ILE QG2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2347,2355,
igr2=2493,2494,2495,
&end
#
# 149 PHE QD 158 ILE QD1 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2347,2355,
igr2=2500,2501,2502,
&end
#
# 149 PHE QD 161 SER HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2526, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2347,2355,
&end
#
# 149 PHE QD 161 SER HB2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2530, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2347,2355,
&end
#
# 149 PHE QD 161 SER HB3 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2531, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2347,2355,
&end
#
# 149 PHE QD 162 ILE HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2347,2355,
&end
#
# 149 PHE QD 162 ILE QD1 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2347,2355,
igr2=2550,2551,2552,
&end
#
# 149 PHE QE 150 GLY HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2349,2353,
&end
#
# 149 PHE QE 158 ILE HA 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2349,2353,
&end
#
# 149 PHE QE 158 ILE QG2 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2349,2353,
igr2=2493,2494,2495,
&end
#
# 149 PHE QE 161 SER HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2526, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2349,2353,
&end
#
# 149 PHE QE 161 SER HB2 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2530, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2349,2353,
&end
#
# 149 PHE QE 161 SER HB3 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2531, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2349,2353,
&end
#
# 149 PHE QE 162 ILE HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2349,2353,
&end
#
# 149 PHE QE 162 ILE QD1 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.94, r4=13.44,
igr1=2349,2353,
igr2=2550,2551,2552,
&end
#
# 150 GLY HN 153 LYS+ QB 7.48
&rst
ixpk= 0, nxpk= 0, iat=2359, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2401,2402,
&end
#
# 150 GLY HN 153 LYS+ QG 7.48
&rst
ixpk= 0, nxpk= 0, iat=2359, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2404,2405,
&end
#
# 151 GLN HN 151 GLN HG2 6.40
&rst
ixpk= 0, nxpk= 0, iat=2366,2373, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 151 GLN HN 151 GLN HG3 6.40
&rst
ixpk= 0, nxpk= 0, iat=2366,2374, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 151 GLN HN 151 GLN QG 5.76
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2373,2374,
&end
#
# 151 GLN HN 151 GLN HE21 6.60
&rst
ixpk= 0, nxpk= 0, iat=2366,2378, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 151 GLN HN 151 GLN HE22 6.60
&rst
ixpk= 0, nxpk= 0, iat=2366,2379, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 151 GLN HN 151 GLN QE2 6.39
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=2378,2379,
&end
#
# 151 GLN HN 152 ASN HN 4.10
&rst
ixpk= 0, nxpk= 0, iat=2366,2383, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 151 GLN HN 153 LYS+ HN 6.30
&rst
ixpk= 0, nxpk= 0, iat=2366,2397, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 151 GLN HB2 151 GLN HE21 6.60
&rst
ixpk= 0, nxpk= 0, iat=2370,2378, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 151 GLN HB2 151 GLN HE22 6.60
&rst
ixpk= 0, nxpk= 0, iat=2370,2379, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 151 GLN HB2 152 ASN HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2370,2383, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 151 GLN HB3 151 GLN HE21 6.60
&rst
ixpk= 0, nxpk= 0, iat=2371,2378, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 151 GLN HB3 151 GLN HE22 6.60
&rst
ixpk= 0, nxpk= 0, iat=2371,2379, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 151 GLN HB3 152 ASN HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2371,2383, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 151 GLN HG2 152 ASN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2373,2383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 151 GLN HG3 152 ASN HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2374,2383, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 151 GLN QG 152 ASN HN 6.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2383, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2373,2374,
&end
#
# 152 ASN HN 152 ASN HD21 6.60
&rst
ixpk= 0, nxpk= 0, iat=2383,2392, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 152 ASN HN 152 ASN HD22 6.60
&rst
ixpk= 0, nxpk= 0, iat=2383,2393, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 152 ASN HN 153 LYS+ HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2383,2397, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 152 ASN HB2 153 LYS+ HN 5.90
&rst
ixpk= 0, nxpk= 0, iat=2387,2397, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 152 ASN HB3 153 LYS+ HN 5.90
&rst
ixpk= 0, nxpk= 0, iat=2388,2397, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 152 ASN QD2 153 LYS+ HN 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2397, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=2392,2393,
&end
#
# 153 LYS+ HN 153 LYS+ HG2 4.60
&rst
ixpk= 0, nxpk= 0, iat=2397,2404, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 153 LYS+ HN 153 LYS+ HG3 4.60
&rst
ixpk= 0, nxpk= 0, iat=2397,2405, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 153 LYS+ HN 153 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2397, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2410,2411,
&end
#
# 153 LYS+ HN 154 ARG+ HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2397,2419, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 153 LYS+ HN 158 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2397, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2500,2501,2502,
&end
#
# 153 LYS+ HA 153 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2399, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2410,2411,
&end
#
# 153 LYS+ HA 157 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2399,2472, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 153 LYS+ HB2 153 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2401, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2410,2411,
&end
#
# 153 LYS+ HB2 154 ARG+ HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2401,2419, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 153 LYS+ HB2 158 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2401, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2500,2501,2502,
&end
#
# 153 LYS+ HB3 153 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2410,2411,
&end
#
# 153 LYS+ HB3 154 ARG+ HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2402,2419, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 153 LYS+ HB3 158 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2500,2501,2502,
&end
#
# 153 LYS+ QB 154 ARG+ HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2401,2402,
&end
#
# 153 LYS+ QG 154 ARG+ HN 6.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1=2404,2405,
&end
#
# 154 ARG+ HN 154 ARG+ QG 5.08
&rst
ixpk= 0, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2426,2427,
&end
#
# 154 ARG+ HN 154 ARG+ QD 7.10
&rst
ixpk= 0, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47,
igr2=2429,2430,
&end
#
# 154 ARG+ HN 157 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2419,2472, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 154 ARG+ HN 157 GLU- QG 6.60
&rst
ixpk= 0, nxpk= 0, iat=2419, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2479,2480,
&end
#
# 154 ARG+ HA 154 ARG+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2429,2430,
&end
#
# 154 ARG+ HA 156 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2421,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 154 ARG+ HB2 155 LYS+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2423,2443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 154 ARG+ HB2 156 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2423,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 154 ARG+ HB3 155 LYS+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2424,2443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 154 ARG+ HB3 156 GLY HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2424,2465, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 154 ARG+ HG2 155 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2426,2443, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 154 ARG+ HG3 155 LYS+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2427,2443, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 154 ARG+ QD 155 LYS+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2429,2430,
&end
#
# 154 ARG+ QD 156 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2429,2430,
&end
#
# 154 ARG+ QD 157 GLU- HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2472, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2429,2430,
&end
#
# 155 LYS+ HN 155 LYS+ QG 4.90
&rst
ixpk= 0, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2450,2451,
&end
#
# 155 LYS+ HN 155 LYS+ QD 4.38
&rst
ixpk= 0, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2453,2454,
&end
#
# 155 LYS+ HN 156 GLY HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2443,2465, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 155 LYS+ HN 156 GLY HA2 6.10
&rst
ixpk= 0, nxpk= 0, iat=2443,2467, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 155 LYS+ HN 156 GLY HA3 6.10
&rst
ixpk= 0, nxpk= 0, iat=2443,2468, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 155 LYS+ HN 157 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2443,2472, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HN 157 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2479,2480,
&end
#
# 155 LYS+ HA 155 LYS+ QD 4.78
&rst
ixpk= 0, nxpk= 0, iat=2445, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2453,2454,
&end
#
# 155 LYS+ HA 157 GLU- HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2445,2472, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HA 158 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2445,2487, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HA 158 ILE HB 6.60
&rst
ixpk= 0, nxpk= 0, iat=2445,2491, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HA 158 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=2445, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2493,2494,2495,
&end
#
# 155 LYS+ HA 158 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2445, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2500,2501,2502,
&end
#
# 155 LYS+ HA 159 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2445,2506, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HB2 155 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2447, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2456,2457,
&end
#
# 155 LYS+ HB2 156 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2447,2465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 155 LYS+ HB2 157 GLU- HN 5.90
&rst
ixpk= 0, nxpk= 0, iat=2447,2472, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 155 LYS+ HB3 155 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2448, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2456,2457,
&end
#
# 155 LYS+ HB3 156 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2448,2465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 155 LYS+ HB3 157 GLU- HN 5.90
&rst
ixpk= 0, nxpk= 0, iat=2448,2472, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 155 LYS+ QB 155 LYS+ QE 7.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr1=2447,2448,
igr2=2456,2457,
&end
#
# 155 LYS+ QB 156 GLY HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2447,2448,
&end
#
# 155 LYS+ QB 157 GLU- HN 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2472, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2447,2448,
&end
#
# 155 LYS+ QG 156 GLY HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2450,2451,
&end
#
# 155 LYS+ HD2 156 GLY HN 6.50
&rst
ixpk= 0, nxpk= 0, iat=2453,2465, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 155 LYS+ HD2 156 GLY HA2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2453,2467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HD2 156 GLY HA3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2453,2468, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HD2 157 GLU- HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=2453,2472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 155 LYS+ HD3 156 GLY HN 6.50
&rst
ixpk= 0, nxpk= 0, iat=2454,2465, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 155 LYS+ HD3 156 GLY HA2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2454,2467, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HD3 156 GLY HA3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2454,2468, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 155 LYS+ HD3 157 GLU- HN 6.00
&rst
ixpk= 0, nxpk= 0, iat=2454,2472, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 155 LYS+ QD 156 GLY HN 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=2453,2454,
&end
#
# 155 LYS+ QD 157 GLU- HN 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2472, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2453,2454,
&end
#
# 155 LYS+ QD 158 ILE HN 6.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=2453,2454,
&end
#
# 155 LYS+ QD 159 ALA HN 7.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=2453,2454,
&end
#
# 155 LYS+ QE 156 GLY HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2456,2457,
&end
#
# 156 GLY HN 157 GLU- HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2465,2472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 156 GLY HN 157 GLU- HA 6.40
&rst
ixpk= 0, nxpk= 0, iat=2465,2474, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 156 GLY HN 157 GLU- QG 7.60
&rst
ixpk= 0, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2479,2480,
&end
#
# 156 GLY HN 158 ILE HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2465,2487, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 156 GLY HN 159 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2465,2506, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 156 GLY HN 160 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2465,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 156 GLY HA2 159 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=2467, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2510,2511,2512,
&end
#
# 156 GLY HA2 160 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2467,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 156 GLY HA3 159 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=2468, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2510,2511,2512,
&end
#
# 156 GLY HA3 160 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2468,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 156 GLY QA 159 ALA HN 7.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1=2467,2468,
&end
#
# 157 GLU- HN 157 GLU- QG 5.10
&rst
ixpk= 0, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2479,2480,
&end
#
# 157 GLU- HN 158 ILE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat=2472,2487, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 157 GLU- HN 158 ILE HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=2472,2489, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 157 GLU- HN 158 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2493,2494,2495,
&end
#
# 157 GLU- HN 158 ILE QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2497,2498,
&end
#
# 157 GLU- HN 158 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2500,2501,2502,
&end
#
# 157 GLU- HN 159 ALA HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=2472,2506, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 157 GLU- HN 160 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2472,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 157 GLU- HA 160 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2474,2516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 157 GLU- HA 160 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat=2474, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2520,2521,2522,
&end
#
# 157 GLU- QB 160 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2476,2477,
&end
#
# 157 GLU- QB 161 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2526, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2476,2477,
&end
#
# 157 GLU- QG 158 ILE HN 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2487, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1=2479,2480,
&end
#
# 157 GLU- QG 159 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2479,2480,
&end
#
# 157 GLU- QG 160 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2479,2480,
&end
#
# 157 GLU- QG 160 ALA QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1=2479,2480,
igr2=2520,2521,2522,
&end
#
# 158 ILE HN 158 ILE QG1 6.80
&rst
ixpk= 0, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr2=2497,2498,
&end
#
# 158 ILE HN 158 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2487, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2500,2501,2502,
&end
#
# 158 ILE HN 159 ALA HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=2487,2506, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 158 ILE HA 160 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2489,2516, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 158 ILE HA 161 SER HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=2489,2526, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 158 ILE HA 161 SER HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2489,2530, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 158 ILE HA 161 SER HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2489,2531, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 158 ILE HB 159 ALA HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=2491,2506, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 158 ILE QG2 159 ALA HN 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2493,2494,2495,
&end
#
# 158 ILE QG2 159 ALA HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2493,2494,2495,
&end
#
# 158 ILE QG2 159 ALA QB 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.40, r4=12.90,
igr1=2493,2494,2495,
igr2=2510,2511,2512,
&end
#
# 158 ILE QG2 162 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2493,2494,2495,
&end
#
# 158 ILE QG2 162 ILE QG1 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1=2493,2494,2495,
igr2=2547,2548,
&end
#
# 158 ILE QG2 162 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
igr1=2493,2494,2495,
igr2=2550,2551,2552,
&end
#
# 158 ILE QG1 159 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2497,2498,
&end
#
# 158 ILE QD1 159 ALA HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1=2500,2501,2502,
&end
#
# 159 ALA HN 159 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=2506, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2510,2511,2512,
&end
#
# 159 ALA HN 160 ALA HN 4.10
&rst
ixpk= 0, nxpk= 0, iat=2506,2516, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 159 ALA HN 160 ALA QB 7.60
&rst
ixpk= 0, nxpk= 0, iat=2506, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2520,2521,2522,
&end
#
# 159 ALA HN 161 SER HN 6.30
&rst
ixpk= 0, nxpk= 0, iat=2506,2526, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 159 ALA HA 161 SER HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2508,2526, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 159 ALA HA 162 ILE HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=2508,2537, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 159 ALA HA 162 ILE HB 4.40
&rst
ixpk= 0, nxpk= 0, iat=2508,2541, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 159 ALA HA 162 ILE QD1 5.30
&rst
ixpk= 0, nxpk= 0, iat=2508, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2550,2551,2552,
&end
#
# 159 ALA QB 160 ALA HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2510,2511,2512,
&end
#
# 159 ALA QB 161 SER HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2526, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2510,2511,2512,
&end
#
# 159 ALA QB 162 ILE HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2510,2511,2512,
&end
#
# 160 ALA HN 160 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=2516, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2520,2521,2522,
&end
#
# 160 ALA HN 161 SER HN 3.80
&rst
ixpk= 0, nxpk= 0, iat=2516,2526, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 160 ALA HN 162 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2516,2537, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 160 ALA HA 163 ALA HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=2518,2556, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 160 ALA HA 163 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat=2518, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2560,2561,2562,
&end
#
# 160 ALA QB 161 SER HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2520,2521,2522,
&end
#
# 160 ALA QB 162 ILE HN 7.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2520,2521,2522,
&end
#
# 161 SER HN 161 SER HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat=2526,2530, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 161 SER HN 161 SER HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat=2526,2531, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 161 SER HN 161 SER QB 3.50
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2530,2531,
&end
#
# 161 SER HN 162 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2526,2537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 SER HN 162 ILE HB 5.60
&rst
ixpk= 0, nxpk= 0, iat=2526,2541, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 161 SER HN 162 ILE QG2 7.60
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2543,2544,2545,
&end
#
# 161 SER HN 162 ILE QG1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2547,2548,
&end
#
# 161 SER HN 162 ILE QD1 7.60
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2550,2551,2552,
&end
#
# 161 SER HN 163 ALA HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2526,2556, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 161 SER HA 163 ALA HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2528,2556, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 161 SER HA 164 THR HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=2528,2566, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 161 SER HA 164 THR QG2 6.70
&rst
ixpk= 0, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr2=2572,2573,2574,
&end
#
# 161 SER HB2 162 ILE HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=2530,2537, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 161 SER HB3 162 ILE HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=2531,2537, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 161 SER QB 162 ILE HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2530,2531,
&end
#
# 162 ILE HN 162 ILE QG1 6.60
&rst
ixpk= 0, nxpk= 0, iat=2537, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2547,2548,
&end
#
# 162 ILE HN 162 ILE QD1 5.60
&rst
ixpk= 0, nxpk= 0, iat=2537, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2550,2551,2552,
&end
#
# 162 ILE HN 163 ALA HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=2537,2556, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 162 ILE HN 164 THR HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=2537,2566, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 162 ILE HN 165 HIST HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2537,2593, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 162 ILE HA 162 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=2539, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2550,2551,2552,
&end
#
# 162 ILE HA 165 HIST HN 6.30
&rst
ixpk= 0, nxpk= 0, iat=2539,2580, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 162 ILE HA 165 HIST HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2539,2584, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 162 ILE HA 165 HIST HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2539,2585, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 162 ILE HA 165 HIST HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2539,2593, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 162 ILE HA 165 HIST HE1 6.60
&rst
ixpk= 0, nxpk= 0, iat=2539,2589, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 162 ILE HA 166 MET HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2539,2597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 162 ILE HB 163 ALA HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=2541,2556, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 162 ILE HB 164 THR HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2541,2566, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 162 ILE QG2 163 ALA HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2543,2544,2545,
&end
#
# 162 ILE QG2 164 THR HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2543,2544,2545,
&end
#
# 162 ILE QG2 165 HIST HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2580, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2543,2544,2545,
&end
#
# 162 ILE QG1 163 ALA HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2547,2548,
&end
#
# 162 ILE QD1 163 ALA HN 7.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2550,2551,2552,
&end
#
# 162 ILE QD1 163 ALA HA 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2558, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2550,2551,2552,
&end
#
# 163 ALA HN 163 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2560,2561,2562,
&end
#
# 163 ALA HN 164 THR HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=2556,2566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 163 ALA HA 166 MET HN 6.20
&rst
ixpk= 0, nxpk= 0, iat=2558,2597, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 163 ALA HA 166 MET HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2558,2601, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 163 ALA HA 166 MET HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2558,2602, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 163 ALA HA 167 ARG+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2558,2614, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 163 ALA QB 164 THR HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2560,2561,2562,
&end
#
# 163 ALA QB 165 HIST HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2580, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2560,2561,2562,
&end
#
# 164 THR HN 164 THR HB 3.90
&rst
ixpk= 0, nxpk= 0, iat=2566,2570, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 164 THR HN 165 HIST HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=2566,2580, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 164 THR HN 165 HIST HB2 6.20
&rst
ixpk= 0, nxpk= 0, iat=2566,2584, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 164 THR HN 165 HIST HB3 6.20
&rst
ixpk= 0, nxpk= 0, iat=2566,2585, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 164 THR HN 165 HIST QB 5.79
&rst
ixpk= 0, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2584,2585,
&end
#
# 164 THR HA 166 MET HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2568,2597, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 164 THR HA 167 ARG+ HN 5.60
&rst
ixpk= 0, nxpk= 0, iat=2568,2614, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 164 THR HA 167 ARG+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=2568, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2624,2625,
&end
#
# 164 THR HB 165 HIST HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=2570,2580, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 164 THR QG2 165 HIST HN 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2580, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr1=2572,2573,2574,
&end
#
# 164 THR QG2 167 ARG+ QD 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.59, r4=12.09,
igr1=2572,2573,2574,
igr2=2624,2625,
&end
#
# 165 HIST HN 165 HIST HD2 5.40
&rst
ixpk= 0, nxpk= 0, iat=2580,2593, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 165 HIST HN 165 HIST HE1 6.60
&rst
ixpk= 0, nxpk= 0, iat=2580,2589, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 165 HIST HN 167 ARG+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2580,2614, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 165 HIST HN 168 PRO QG 7.38
&rst
ixpk= 0, nxpk= 0, iat=2580, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr2=2642,2643,
&end
#
# 165 HIST HA 165 HIST HD2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2582,2593, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 165 HIST HA 168 PRO HB2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2582,2645, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 165 HIST HA 168 PRO HB3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2582,2646, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 165 HIST HA 168 PRO QB 6.01
&rst
ixpk= 0, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=2645,2646,
&end
#
# 165 HIST HA 168 PRO QG 7.48
&rst
ixpk= 0, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr2=2642,2643,
&end
#
# 165 HIST HB2 166 MET HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2584,2597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 165 HIST HB3 166 MET HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=2585,2597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 165 HIST QB 166 MET HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2597, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2584,2585,
&end
#
# 166 MET HN 166 MET HG2 6.60
&rst
ixpk= 0, nxpk= 0, iat=2597,2604, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 166 MET HN 166 MET HG3 6.60
&rst
ixpk= 0, nxpk= 0, iat=2597,2605, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 166 MET HN 166 MET QG 5.97
&rst
ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=2604,2605,
&end
#
# 166 MET HN 166 MET QE 5.70
&rst
ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=2608,2609,2610,
&end
#
# 166 MET HN 167 ARG+ HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=2597,2614, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 166 MET HN 169 TYR QD 8.60
&rst
ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr2=2660,2669,
&end
#
# 166 MET HA 166 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2599, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2608,2609,2610,
&end
#
# 166 MET HA 169 TYR HN 6.40
&rst
ixpk= 0, nxpk= 0, iat=2599,2652, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 166 MET HB2 166 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2601, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2608,2609,2610,
&end
#
# 166 MET HB2 167 ARG+ HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=2601,2614, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 166 MET HB3 166 MET QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2602, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr2=2608,2609,2610,
&end
#
# 166 MET HB3 167 ARG+ HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=2602,2614, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 166 MET QB 167 ARG+ HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2614, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=2601,2602,
&end
#
# 166 MET QE 167 ARG+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2614, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
igr1=2608,2609,2610,
&end
#
# 167 ARG+ HN 167 ARG+ QD 7.00
&rst
ixpk= 0, nxpk= 0, iat=2614, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2624,2625,
&end
#
# 168 PRO QD 169 TYR QD 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=2639,2640,
igr2=2660,2669,
&end
#
# 168 PRO QD 169 TYR QE 9.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=2639,2640,
igr2=2662,2667,
&end
#
# 169 TYR HN 169 TYR QE 7.40
&rst
ixpk= 0, nxpk= 0, iat=2652, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr2=2662,2667,
&end
#
# 169 TYR HN 170 ARG+ HN 6.60
&rst
ixpk= 0, nxpk= 0, iat=2652,2673, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 169 TYR HB2 170 ARG+ HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2656,2673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 169 TYR HB3 170 ARG+ HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2657,2673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 169 TYR QD 170 ARG+ HN 8.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2673, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr1=2660,2669,
&end
#
# 169 TYR QE 170 ARG+ HN 8.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2673, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
igr1=2662,2667,
&end
#
# 170 ARG+ HN 170 ARG+ HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat=2673,2680, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 170 ARG+ HN 170 ARG+ HG3 5.20
&rst
ixpk= 0, nxpk= 0, iat=2673,2681, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 170 ARG+ HN 170 ARG+ QG 4.88
&rst
ixpk= 0, nxpk= 0, iat=2673, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2680,2681,
&end
#
# 170 ARG+ HN 170 ARG+ QD 7.40
&rst
ixpk= 0, nxpk= 0, iat=2673, -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr2=2683,2684,
&end
#
# 170 ARG+ HN 171 LYS+ HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2673,2697, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 170 ARG+ HA 170 ARG+ QD 7.60
&rst
ixpk= 0, nxpk= 0, iat=2675, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2683,2684,
&end
#
# 170 ARG+ HB2 171 LYS+ HN 4.10
&rst
ixpk= 0, nxpk= 0, iat=2677,2697, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 170 ARG+ HB3 171 LYS+ HN 4.10
&rst
ixpk= 0, nxpk= 0, iat=2678,2697, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 170 ARG+ QD 171 LYS+ HN 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2697, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1=2683,2684,
&end
#
# 171 LYS+ HN 171 LYS+ HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat=2697,2701, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 171 LYS+ HN 171 LYS+ HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=2697,2702, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 171 LYS+ HN 171 LYS+ QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=2701,2702,
&end
#
# 171 LYS+ HN 171 LYS+ HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=2697,2704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 171 LYS+ HN 171 LYS+ HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat=2697,2705, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 171 LYS+ HN 171 LYS+ QG 3.68
&rst
ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2704,2705,
&end
#
# 171 LYS+ HN 171 LYS+ QD 5.80
&rst
ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2707,2708,
&end
#
# 171 LYS+ HN 171 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2710,2711,
&end
#
# 171 LYS+ HA 171 LYS+ QB 2.59
&rst
ixpk= 0, nxpk= 0, iat=2699, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2=2701,2702,
&end
#
# 171 LYS+ HA 171 LYS+ QD 6.40
&rst
ixpk= 0, nxpk= 0, iat=2699, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=2707,2708,
&end
#
# 171 LYS+ HA 171 LYS+ QE 7.60
&rst
ixpk= 0, nxpk= 0, iat=2699, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr2=2710,2711,
&end
#
# 171 LYS+ HB2 172 LYS+ HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=2701,2719, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 171 LYS+ HB3 172 LYS+ HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=2702,2719, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 171 LYS+ QB 171 LYS+ QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2701,2702,
igr2=2710,2711,
&end
#
# 171 LYS+ QB 172 LYS+ HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2719, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2701,2702,
&end
#
# 171 LYS+ QB 173 SER HN 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2741, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2701,2702,
&end
#
# 171 LYS+ QG 171 LYS+ QE 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=2704,2705,
igr2=2710,2711,
&end
#
# 171 LYS+ QG 172 LYS+ HN 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2719, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2704,2705,
&end
#
# 171 LYS+ QD 172 LYS+ HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2719, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=2707,2708,
&end
#
# 172 LYS+ HN 172 LYS+ HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat=2719,2723, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 172 LYS+ HN 172 LYS+ HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat=2719,2724, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 172 LYS+ HN 172 LYS+ QB 2.75
&rst
ixpk= 0, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2=2723,2724,
&end
#
# 172 LYS+ HN 172 LYS+ QG 4.78
&rst
ixpk= 0, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2726,2727,
&end
#
# 172 LYS+ HN 172 LYS+ QD 3.70
&rst
ixpk= 0, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2729,2730,
&end
#
# 172 LYS+ HN 173 SER HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=2719,2741, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 172 LYS+ HA 172 LYS+ HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=2721,2726, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 172 LYS+ HA 172 LYS+ HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat=2721,2727, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 172 LYS+ HA 172 LYS+ QD 4.60
&rst
ixpk= 0, nxpk= 0, iat=2721, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2729,2730,
&end
#
# 172 LYS+ HA 173 SER HN 3.40
&rst
ixpk= 0, nxpk= 0, iat=2721,2741, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 172 LYS+ HB2 173 SER HN 5.60
&rst
ixpk= 0, nxpk= 0, iat=2723,2741, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 172 LYS+ HB3 173 SER HN 5.60
&rst
ixpk= 0, nxpk= 0, iat=2724,2741, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 172 LYS+ QB 172 LYS+ QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2723,2724,
igr2=2729,2730,
&end
#
# 172 LYS+ QB 173 SER HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2741, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2723,2724,
&end
#
# 172 LYS+ HG2 173 SER HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2726,2741, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 172 LYS+ HG3 173 SER HN 6.10
&rst
ixpk= 0, nxpk= 0, iat=2727,2741, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
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