NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
656035 |
6y3i   |
27961 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: Cora10402-amber_restraints.rst
#
# 2 VAL H 1 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
rk2=200.0, rk3=200.0, ir6=1, ialtd=0,
igr2= 6, 7,
/
#
# 2 VAL QQG 1 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.35, r2= 1.85, r3= 9.50, r4=10.00,
igr2= 6, 7,
/
#
# 2 VAL H 1 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 6, 7,
/
#
# 2 VAL HB 2 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 15, 11, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HA 2 VAL HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 13, 15, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 2 VAL HB 2 VAL H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 15, 11, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 2 VAL HA 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 2 VAL HA 2 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 15, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL QQG 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 35, 43,
/
#
# 2 VAL HA 3 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 29, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HA 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HA 3 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 31, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL QQG 4 SER QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.35, r2= 1.85, r3= 9.50, r4=10.00,
igr2= 51, 52,
/
#
# 2 VAL QQG 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 14, 49, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 2 VAL QQG 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 51, 52,
/
#
# 2 VAL QQG 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1821,1822,
/
#
# 2 VAL QQG 122 HIS HE1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 14,1866, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 2 VAL HA 122 HIS HE1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13,1866, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HA 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 3 PHE H 2 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 15, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 3 PHE H 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE HA 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 3 PHE 1HB 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 3 PHE H 2 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 15, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 3 PHE HA 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 3 PHE 2HB 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 3 PHE H 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 3 PHE 2HB 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 3 PHE H 3 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 29, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 3 PHE H 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE HA 3 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 31, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE HA 3 PHE 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 29, 31, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 3 PHE HA 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 4 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 47, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 4 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 47, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, 49, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 4 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 31, 49, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 3 PHE 1HB 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 3 PHE QD 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 35, 43,
igr2= 68, 73,
/
#
# 3 PHE H 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 68, 73,
/
#
# 3 PHE 2HB 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 3 PHE 1HB 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 68, 73,
/
#
# 3 PHE 2HB 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 68, 73,
/
#
# 3 PHE HA 5 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 29, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 68, 73,
/
#
# 3 PHE H 120 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1816, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 3 PHE H 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1836, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1841, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1836, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32,1840, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 3 PHE 2HB 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32,1841, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31,1841, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32,1841, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 122 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1859, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1861,1862,
/
#
# 3 PHE H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 3 PHE H 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 3 PHE 2HB 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 3 PHE 1HB 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 3 PHE 1HB 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 3 PHE 2HB 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 3 PHE 1HB 129 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1965,1966,1967,
/
#
# 4 SER H 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER H 3 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 29, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER H 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER H 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 4 SER H 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER H 3 PHE 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 47, 31, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 4 SER H 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 4 SER H 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 49, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER QB 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 51, 52,
/
#
# 4 SER H 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 4 SER H 4 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 47, 49, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 4 SER QB 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 51, 52,
/
#
# 4 SER HA 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER QB 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 58, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 51, 52,
/
#
# 4 SER H 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER H 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER H 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 68, 73,
/
#
# 4 SER HA 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 62, 63,
/
#
# 4 SER QB 5 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 51, 52,
/
#
# 4 SER HA 5 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, 60, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER QB 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 58, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 51, 52,
/
#
# 4 SER HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER HA 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1795,1796,1797,
/
#
# 4 SER HA 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1795,1796,1797,
/
#
# 4 SER HA 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER H 120 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47,1816, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER H 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1821,1822,
/
#
# 4 SER HA 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 SER QB 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 51, 52,
igr2=1821,1822,
/
#
# 4 SER HA 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1821,1822,
/
#
# 4 SER QB 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 51, 52,
igr2=1821,1822,
/
#
# 4 SER H 120 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1821,1822,
/
#
# 4 SER QB 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 51, 52,
igr2=1827,1828,
/
#
# 4 SER QB 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 51, 52,
igr2=1827,1828,
/
#
# 4 SER H 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47,1840, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR QE 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 68, 73,
igr2= 66, 75,
/
#
# 5 TYR HA 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 68, 73,
/
#
# 5 TYR QB 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 62, 63,
igr2= 68, 73,
/
#
# 5 TYR HA 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 5 TYR QB 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 62, 63,
igr2= 66, 75,
/
#
# 5 TYR QE 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 68, 73,
igr2= 66, 75,
/
#
# 5 TYR H 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 5 TYR H 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 62, 63,
/
#
# 5 TYR H 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 5 TYR H 5 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, 60, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 62, 63,
/
#
# 5 TYR QB 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 62, 63,
igr2= 68, 73,
/
#
# 5 TYR HA 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 62, 63,
/
#
# 5 TYR H 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR HA 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 83, 84,
/
#
# 5 TYR HA 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 83, 84,
/
#
# 5 TYR QB 6 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 62, 63,
/
#
# 5 TYR HA 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1795,1796,1797,
/
#
# 5 TYR H 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1795,1796,1797,
/
#
# 5 TYR H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR HA 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1821,1822,
/
#
# 5 TYR H 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1821,1822,
/
#
# 5 TYR QD 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 66, 75,
igr2=1846,1851,
/
#
# 5 TYR QB 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 62, 63,
igr2=1846,1851,
/
#
# 5 TYR QD 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 66, 75,
igr2=1846,1851,
/
#
# 5 TYR QE 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 68, 73,
igr2=1846,1851,
/
#
# 5 TYR QE 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 68, 73,
igr2=1844,1853,
/
#
# 5 TYR QB 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 62, 63,
igr2=1844,1853,
/
#
# 5 TYR QB 134 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1= 62, 63,
igr2=2040,2041,2042,
/
#
# 5 TYR QB 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 62, 63,
/
#
# 5 TYR QB 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 62, 63,
/
#
# 5 TYR QB 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 62, 63,
igr2=2033,2034,2035,
/
#
# 5 TYR QB 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 62, 63,
igr2=2033,2034,2035,
/
#
# 6 GLU H 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 6 GLU H 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 68, 73,
/
#
# 6 GLU H 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 62, 63,
/
#
# 6 GLU H 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 62, 63,
/
#
# 6 GLU QB 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 83, 84,
igr2= 62, 63,
/
#
# 6 GLU H 6 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 86, 87,
/
#
# 6 GLU H 6 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, 81, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU H 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 83, 84,
/
#
# 6 GLU QG 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 86, 87,
igr2= 83, 84,
/
#
# 6 GLU H 6 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 86, 87,
/
#
# 6 GLU QG 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 86, 87,
igr2= 83, 84,
/
#
# 6 GLU H 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 83, 84,
/
#
# 6 GLU QG 6 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 GLU QB 6 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU QB 6 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 83, 84,
/
#
# 6 GLU QG 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 GLU HA 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81, 94, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU H 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, 94, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU QB 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU QB 7 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 83, 84,
/
#
# 6 GLU QG 7 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 GLU QG 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 GLU QB 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU HA 7 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 98, 99,
/
#
# 6 GLU HA 7 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81, 96, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU QB 7 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU HA 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81, 94, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU QB 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 106, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU QG 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 86, 87,
igr2=1776,1777,1778,
/
#
# 6 GLU HA 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1776,1777,1778,
/
#
# 6 GLU QB 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU QG 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 GLU H 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79,1791, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU QG 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1793, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 GLU QG 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 7 ASP H 7 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 98, 99,
/
#
# 7 ASP H 7 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, 96, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP H 7 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 98, 99,
/
#
# 7 ASP HA 7 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 98, 99,
/
#
# 7 ASP HA 7 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 98, 99,
/
#
# 7 ASP H 7 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, 96, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP QB 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 106, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 98, 99,
/
#
# 7 ASP HA 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96, 106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP H 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, 106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP QB 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 106, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 98, 99,
/
#
# 7 ASP HA 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 110, 111,
/
#
# 7 ASP HA 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96, 106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP HA 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 110, 111,
/
#
# 7 ASP QB 8 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 98, 99,
/
#
# 7 ASP HA 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 7 ASP H 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1776,1777,1778,
/
#
# 7 ASP QB 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 98, 99,
igr2=1776,1777,1778,
/
#
# 7 ASP QB 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 98, 99,
igr2=1776,1777,1778,
/
#
# 7 ASP H 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94,1789, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP QB 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 98, 99,
igr2=2095,2096,
/
#
# 7 ASP QB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 98, 99,
igr2=2098,2099,
/
#
# 7 ASP QB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 98, 99,
igr2=2098,2099,
/
#
# 8 GLU H 8 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, 108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU H 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 8 GLU HA 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 110, 111,
/
#
# 8 GLU H 8 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, 108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU QG 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 113, 114,
igr2= 110, 111,
/
#
# 8 GLU HA 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 8 GLU H 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 8 GLU HA 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 110, 111,
/
#
# 8 GLU H 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 110, 111,
/
#
# 8 GLU H 9 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, 121, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU QB 9 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 123, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 110, 111,
/
#
# 8 GLU HA 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 8 GLU HA 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 8 GLU QB 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 110, 111,
igr2= 125, 126, 127,
/
#
# 8 GLU QG 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 113, 114,
igr2= 125, 126, 127,
/
#
# 8 GLU QG 9 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 123, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 113, 114,
/
#
# 8 GLU QB 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 110, 111,
igr2= 125, 126, 127,
/
#
# 8 GLU H 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 8 GLU HA 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU QB 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 110, 111,
/
#
# 8 GLU HA 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 8 GLU QG 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 113, 114,
igr2=1716,1717,1718,
/
#
# 8 GLU QG 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 113, 114,
igr2=1716,1717,1718,
/
#
# 8 GLU QB 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 110, 111,
igr2=1716,1717,1718,
/
#
# 8 GLU HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU QB 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 110, 111,
/
#
# 8 GLU HA 115 LEU QQD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 108,1735, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 8 GLU QB 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2=1752,1753,
/
#
# 8 GLU HA 116 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108,1750, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU QB 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2=1752,1753,
/
#
# 8 GLU QG 116 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 113, 114,
/
#
# 8 GLU QB 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2=1758,1759,
/
#
# 8 GLU HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108,1770, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 8 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 110, 111,
/
#
# 9 ALA H 8 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 9 ALA H 9 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 123, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 9 ALA HA 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 9 ALA HA 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 123, 131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 10 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 133, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA HA 10 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 123, 135, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA QB 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 9 ALA QB 10 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 9 ALA H 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA HA 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 123, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA QB 11 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 9 ALA H 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 9 ALA H 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121,1712, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA HA 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 9 ALA HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 123,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1733,1734,
/
#
# 9 ALA H 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA QB 115 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1735, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1= 125, 126, 127,
/
#
# 9 ALA H 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1733,1734,
/
#
# 9 ALA QB 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2=1733,1734,
/
#
# 9 ALA QB 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 9 ALA HA 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2098,2099,
/
#
# 9 ALA QB 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2=2092,2093,
/
#
# 9 ALA QB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2=2098,2099,
/
#
# 9 ALA QB 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2=2092,2093,
/
#
# 9 ALA QB 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 9 ALA QB 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 125, 126, 127,
igr2=2158,2159,2160,
/
#
# 9 ALA QB 145 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2=2194,2195,
/
#
# 9 ALA QB 145 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2=2200,2204,
/
#
# 9 ALA QB 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2=2198,2206,
/
#
# 10 THR HA 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 10 THR HA 9 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 123, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR H 10 THR HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, 141, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HA 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR H 10 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, 135, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR H 10 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, 135, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HA 10 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 135, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HA 10 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 133, 135, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 10 THR HA 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HA 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 149, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HG1 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 141,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HA 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133,1712, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HG1 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1720,1721,
/
#
# 10 THR HA 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 10 THR HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 10 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 135, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 150, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 150, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 149, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 150, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 150, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 11 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 147, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 150, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 2HB 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 11 SER HA 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 11 SER 2HB 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 11 SER 1HB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 2HB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER HA 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 2HB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 2HB 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1641,1642,1643,
/
#
# 11 SER H 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1720,1721,
/
#
# 11 SER H 115 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145,1735, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 11 SER H 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 145 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2194,2195,
/
#
# 12 VAL H 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 12 VAL H 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL H 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 160, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 160, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL HA 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 12 VAL HB 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 12 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 156, 158, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 12 VAL HB 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL HA 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL HB 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 12 VAL HB 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 12 VAL HB 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL H 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL QG1 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 162, 163, 164,
igr2= 166, 167, 168,
/
#
# 12 VAL H 13 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 174, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 13 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 156, 174, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 12 VAL HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2265,2266,
/
#
# 12 VAL H 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2265,2266,
/
#
# 13 ILE H 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, 160, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE H 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE H 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE H 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 13 ILE H 12 VAL HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 160, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 13 ILE H 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HA 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 13 ILE H 12 VAL QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 166, 167, 168,
/
#
# 13 ILE HA 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 13 ILE H 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 13 ILE H 13 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, 174, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE H 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HA 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE H 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE H 13 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 174, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 13 ILE HB 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 255, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HB 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 13 ILE HB 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 255, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE H 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2265,2266,
/
#
# 15 PRO QD 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 206, 207,
igr2= 209, 210,
/
#
# 15 PRO HA 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 15 PRO QD 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 206, 207,
igr2= 209, 210,
/
#
# 15 PRO HA 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 15 PRO QD 17 ARG H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 206, 207,
/
#
# 15 PRO HA 18 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 215, 253, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 15 PRO HA 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 15 PRO QB 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 212, 213,
igr2= 257, 258,
/
#
# 15 PRO HA 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1604,1605,
/
#
# 15 PRO QB 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 212, 213,
igr2=1604,1605,
/
#
# 15 PRO QD 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 206, 207,
/
#
# 15 PRO QG 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 209, 210,
/
#
# 15 PRO QD 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 206, 207,
/
#
# 15 PRO HA 106 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 215,1629, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 15 PRO QD 106 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 206, 207,
/
#
# 15 PRO QG 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 209, 210,
/
#
# 15 PRO QD 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 206, 207,
/
#
# 16 ALA H 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 206, 207,
/
#
# 16 ALA H 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA H 15 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 212, 213,
/
#
# 16 ALA H 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 16 ALA H 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 206, 207,
/
#
# 16 ALA H 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA HA 15 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 212, 213,
/
#
# 16 ALA QB 15 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 223, 224, 225,
igr2= 212, 213,
/
#
# 16 ALA H 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 16 ALA H 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 16 ALA HA 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 16 ALA H 16 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 221, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA H 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 229, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA H 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 229, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 17 ARG HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA QB 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 223, 224, 225,
igr2= 233, 234,
/
#
# 16 ALA HA 17 ARG HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, 231, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA H 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA H 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA HA 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, 272, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 223, 224, 225,
igr2= 280, 288,
/
#
# 16 ALA HA 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 16 ALA HA 19 PHE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 221, 272, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 16 ALA QB 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA QB 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA HA 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA QB 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA HA 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA HA 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, 276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA QB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA HA 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA HA 20 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 221, 292, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 16 ALA QB 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 223, 224, 225,
igr2=1201,1209,
/
#
# 17 ARG H 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 17 ARG H 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 17 ARG H 16 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 229, 221, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 17 ARG H 17 ARG HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 231, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 17 ARG QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 239, 240,
/
#
# 17 ARG H 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 17 ARG QD 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 239, 240,
igr2= 233, 234,
/
#
# 17 ARG HA 17 ARG QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 239, 240,
/
#
# 17 ARG H 17 ARG QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 239, 240,
/
#
# 17 ARG HA 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 17 ARG QD 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 239, 240,
igr2= 233, 234,
/
#
# 17 ARG H 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 17 ARG HA 17 ARG QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 239, 240,
/
#
# 17 ARG H 17 ARG HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 231, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 17 ARG H 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 255, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 18 LEU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 257, 258,
/
#
# 17 ARG HA 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 255, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 272, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 20 LYS 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 302, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 20 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 296, 297,
/
#
# 17 ARG HA 20 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 296, 297,
/
#
# 17 ARG QB 20 LYS 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 233, 234,
/
#
# 17 ARG HA 20 LYS 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 302, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG HA 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG QB 21 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 233, 234,
/
#
# 17 ARG QB 21 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 233, 234,
/
#
# 18 LEU QQD 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 145, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 149, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 150, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 172, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 176, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 172, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 215, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU H 17 ARG QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 239, 240,
/
#
# 18 LEU H 17 ARG HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 231, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU HA 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 18 LEU H 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 18 LEU QQD 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 253, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU H 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 18 LEU H 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 255, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU QQD 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 255, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 253, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU HA 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 18 LEU H 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 18 LEU H 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 255, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU QQD 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 257, 258,
/
#
# 18 LEU QQD 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 255, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU HA 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 18 LEU QB 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 257, 258,
/
#
# 18 LEU H 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 272, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU H 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 272, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU QQD 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 272, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU H 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU H 19 PHE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 18 LEU QB 19 PHE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 257, 258,
/
#
# 18 LEU QB 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 257, 258,
/
#
# 18 LEU H 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU H 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU QQD 22 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 333, 341,
/
#
# 18 LEU QQD 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 325, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 329, 330,
/
#
# 18 LEU HA 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 329, 330,
/
#
# 18 LEU QQD 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 329, 330,
/
#
# 18 LEU HA 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 329, 330,
/
#
# 18 LEU QQD 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1604,1605,
/
#
# 18 LEU QB 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 257, 258,
igr2=1604,1605,
/
#
# 18 LEU QQD 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,1699, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 115 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,1735, r1= 1.35, r2= 1.85, r3=10.40, r4=10.90, /
#
# 18 LEU QQD 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,1729, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 19 PHE H 19 PHE QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 280, 288,
/
#
# 19 PHE HA 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 19 PHE 2HB 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 19 PHE QD 19 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 280, 288,
igr2= 282, 286,
/
#
# 19 PHE 2HB 19 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 282, 286,
/
#
# 19 PHE 1HB 19 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 282, 286,
/
#
# 19 PHE H 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE H 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE H 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 19 PHE HA 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 19 PHE H 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 2HB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE H 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE H 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE H 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE H 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 2HB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 294, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 2HB 20 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 277, 292, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 19 PHE 1HB 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 294, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE HA 22 PHE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 325, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 19 PHE 1HB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 19 PHE HA 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 19 PHE HA 23 VAL QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 355, 356, 357,
/
#
# 19 PHE 1HB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 19 PHE 2HB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 19 PHE 1HB 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 19 PHE QD 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 280, 288,
igr2=1201,1209,
/
#
# 19 PHE QD 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 280, 288,
igr2=1201,1209,
/
#
# 19 PHE HA 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1201,1209,
/
#
# 19 PHE HA 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1201,1209,
/
#
# 19 PHE 2HB 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1604,1605,
/
#
# 20 LYS QB 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 296, 297,
igr2= 233, 234,
/
#
# 20 LYS H 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 20 LYS H 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 20 LYS QB 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS QB 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS QB 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS QB 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS H 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS 1HD 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 302, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS 1HD 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 305, 306,
/
#
# 20 LYS QB 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 296, 297,
igr2= 305, 306,
/
#
# 20 LYS QB 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS QB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS HA 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 296, 297,
igr2= 305, 306,
/
#
# 20 LYS 2HD 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 305, 306,
/
#
# 20 LYS HA 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 305, 306,
/
#
# 20 LYS QB 20 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS QB 21 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS QB 21 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS QB 21 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS HA 21 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 316, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 21 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 296, 297,
/
#
# 20 LYS HA 21 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 294, 316, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 20 LYS QB 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS HA 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS H 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS HA 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 349, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 20 LYS HA 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 20 LYS H 24 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 370, 371, 372,
/
#
# 20 LYS HA 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 24 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 296, 297,
igr2= 370, 371, 372,
/
#
# 20 LYS HA 24 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 374, 375, 376,
/
#
# 20 LYS HA 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 24 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 296, 297,
igr2= 374, 375, 376,
/
#
# 20 LYS HA 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 21 SER H 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 272, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 20 LYS 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 302, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 20 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 303, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 294, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 20 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 296, 297,
/
#
# 21 SER H 21 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 316, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 21 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 319, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 21 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER 1HB 21 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 318, 319, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 21 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 319, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 21 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 21 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 319, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 21 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 21 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 21 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 316, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER 1HB 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 318, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 329, 330,
/
#
# 21 SER 1HB 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 21 SER H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 24 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 370, 371, 372,
/
#
# 21 SER HA 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER 2HB 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 25 ASP H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 316, 380, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 21 SER HA 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER 2HB 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER HA 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2434,2435,
/
#
# 21 SER HA 160 CYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2434,2435,
/
#
# 21 SER 1HB 160 CYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2434,2435,
/
#
# 21 SER 1HB 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2434,2435,
/
#
# 22 PHE H 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE H 22 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 333, 341,
/
#
# 22 PHE H 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE QB 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 22 PHE QB 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 22 PHE QB 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 22 PHE H 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE H 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE QB 23 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 329, 330,
/
#
# 22 PHE QB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 329, 330,
igr2= 351, 352, 353,
/
#
# 22 PHE QB 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 22 PHE QB 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 22 PHE H 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 349, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE QB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 329, 330,
igr2= 351, 352, 353,
/
#
# 22 PHE HA 24 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 327, 361, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 22 PHE QB 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 329, 330,
igr2= 396, 397, 398,
/
#
# 22 PHE HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 23 VAL QG1 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG1 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG2 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL H 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 347, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG1 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG2 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG1 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG1 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL H 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 347, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG1 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 351, 352, 353,
igr2= 355, 356, 357,
/
#
# 23 VAL QG1 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 351, 352, 353,
igr2= 355, 356, 357,
/
#
# 23 VAL QG1 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG2 23 VAL H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 355, 356, 357,
/
#
# 23 VAL QG2 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG1 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG2 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG1 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG2 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL HA 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG2 24 LEU 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 355, 356, 357,
/
#
# 23 VAL QG2 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL HA 24 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 363, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 23 VAL QG2 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG1 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL H 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG1 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL HB 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 349, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL HB 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 349, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG2 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG1 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG2 24 LEU 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 355, 356, 357,
/
#
# 23 VAL HA 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG2 26 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.37, r4= 9.87,
igr1= 355, 356, 357,
igr2= 396, 397, 398,
/
#
# 23 VAL HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 23 VAL HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 23 VAL HB 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 23 VAL QG1 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 351, 352, 353,
igr2=1131,1132,
/
#
# 23 VAL QG2 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 355, 356, 357,
igr2=1127,1128,1129,
/
#
# 23 VAL QG1 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 351, 352, 353,
igr2=1131,1132,
/
#
# 23 VAL QG1 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 351, 352, 353,
igr2=1134,1135,1136,
/
#
# 23 VAL QG2 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 355, 356, 357,
igr2=1131,1132,
/
#
# 23 VAL QG2 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG2 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG1 81 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 351, 352, 353,
/
#
# 23 VAL QG1 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG2 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG2 81 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 355, 356, 357,
/
#
# 23 VAL QG1 81 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 351, 352, 353,
/
#
# 23 VAL QG1 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL HA 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 23 VAL QG1 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 351, 352, 353,
igr2=1572,1573,1574,
/
#
# 23 VAL QG2 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 355, 356, 357,
igr2=1565,1566,1567,
/
#
# 24 LEU HG 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 24 LEU QD2 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 374, 375, 376,
igr2= 280, 288,
/
#
# 24 LEU QD1 19 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 370, 371, 372,
igr2= 282, 286,
/
#
# 24 LEU QD1 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 370, 371, 372,
igr2= 305, 306,
/
#
# 24 LEU H 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 349, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 24 LEU HG 23 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 368, 347, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 24 LEU HG 23 VAL H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 368, 345, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 24 LEU H 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 349, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QD2 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 374, 375, 376,
igr2= 351, 352, 353,
/
#
# 24 LEU H 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 347, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 24 LEU HG 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 24 LEU QD2 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 374, 375, 376,
igr2= 355, 356, 357,
/
#
# 24 LEU QD1 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 370, 371, 372,
igr2= 355, 356, 357,
/
#
# 24 LEU QD2 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 374, 375, 376,
/
#
# 24 LEU HG 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QD1 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 370, 371, 372,
/
#
# 24 LEU 1HB 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 1HB 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QD2 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 374, 375, 376,
/
#
# 24 LEU HG 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 24 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 370, 371, 372,
/
#
# 24 LEU HA 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QD2 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 374, 375, 376,
/
#
# 24 LEU QD2 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 374, 375, 376,
/
#
# 24 LEU HG 24 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 374, 375, 376,
/
#
# 24 LEU HG 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QD1 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 370, 371, 372,
/
#
# 24 LEU H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QD2 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 374, 375, 376,
/
#
# 24 LEU H 25 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 361, 382, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 24 LEU HA 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 1HB 25 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 382, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 24 LEU HG 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 24 LEU HG 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 24 LEU QD2 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 374, 375, 376,
igr2=1134,1135,1136,
/
#
# 24 LEU HG 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 24 LEU QD1 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 370, 371, 372,
igr2=1127,1128,1129,
/
#
# 25 ASP H 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 366, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 25 ASP H 24 LEU 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 365, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 25 ASP 2HB 24 LEU 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 366, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 25 ASP 1HB 24 LEU 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 384, 366, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 25 ASP H 24 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 363, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 25 ASP H 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 2HB 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 1HB 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 2HB 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 1HB 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 25 ASP HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 25 ASP 2HB 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 25 ASP HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 25 ASP H 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 27 ASP QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 406, 407,
/
#
# 25 ASP HA 27 ASP H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 382, 402, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 25 ASP HA 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 25 ASP HA 28 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 424, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 1HB 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 25 ASP HA 28 ASN 1HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 382, 423, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 24 LEU 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 392, 365, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA H 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 25 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 382, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA H 25 ASP 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 392, 385, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA H 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 25 ASP 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 384, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA HA 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 26 ALA H 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 26 ALA H 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 26 ALA HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 26 ALA QB 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 396, 397, 398,
/
#
# 26 ALA HA 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 26 ALA QB 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 396, 397, 398,
igr2= 406, 407,
/
#
# 26 ALA HA 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA QB 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 396, 397, 398,
/
#
# 26 ALA QB 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 396, 397, 398,
igr2= 406, 407,
/
#
# 26 ALA HA 27 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 404, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA H 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 26 ALA HA 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 28 ASN H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 414, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA H 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 434, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 26 ALA HA 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 428, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 29 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 433, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 428, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 434, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 26 ALA HA 29 LEU 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 433, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA HA 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 447, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 447, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 30 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 394, 451, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 26 ALA QB 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 396, 397, 398,
/
#
# 27 ASP HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 27 ASP HA 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 27 ASP H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 27 ASP HA 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP HA 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 27 ASP HA 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 27 ASP HA 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 27 ASP H 28 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 423, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP HA 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP QB 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 406, 407,
/
#
# 27 ASP QB 28 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 406, 407,
/
#
# 27 ASP HA 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 416, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP HA 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP QB 28 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 406, 407,
/
#
# 27 ASP HA 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP HA 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 619, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP HA 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 619, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 28 ASN H 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 28 ASN H 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 28 ASN H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 28 ASN H 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 416, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN 1HD2 28 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 423, 424, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 28 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 424, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN QB 28 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 418, 419,
/
#
# 28 ASN H 28 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 423, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN 2HD2 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 416, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 28 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 424, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 28 ASN QB 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 418, 419,
/
#
# 28 ASN H 32 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 487, 488,
/
#
# 28 ASN QB 32 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 418, 419,
igr2= 490, 491,
/
#
# 29 LEU QQD 21 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 318, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU QQD 21 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 434, 316, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 29 LEU QQD 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 314, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU QQD 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 325, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU QQD 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 327, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU QQD 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 325, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU 2HB 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU 2HB 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QQD 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 396, 397, 398,
/
#
# 29 LEU 2HB 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 29 LEU H 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 29 LEU 1HB 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 29 LEU H 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU 2HB 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 29 LEU H 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 416, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 29 LEU 2HB 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 29 LEU HA 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 29 LEU HA 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU HA 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 29 LEU H 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 434, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU H 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 29 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU 1HB 29 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 432, 433, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU 1HB 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 432, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 29 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU 2HB 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU HG 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 435, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU 1HB 29 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 432, 433, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QQD 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 430, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU H 29 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 432, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU HA 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU 1HB 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 432, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 32 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 493, 494,
/
#
# 29 LEU H 32 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 487, 488,
/
#
# 29 LEU HA 32 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 490, 491,
/
#
# 29 LEU HA 32 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 487, 488,
/
#
# 29 LEU QQD 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434,2304, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 30 ILE H 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 404, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 29 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 432, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 428, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 434, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 30 ILE H 29 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 433, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HA 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HA 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HA 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 31 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 467, 468,
/
#
# 30 ILE H 31 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 470, 471,
/
#
# 30 ILE HB 31 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 473, 474,
/
#
# 30 ILE HA 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HA 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 505, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 30 ILE HA 33 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 508, 509, 510,
/
#
# 30 ILE HA 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 505, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 30 ILE HA 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 30 ILE HA 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 617, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 617, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HA 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449,2177, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 31 PRO QG 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 470, 471,
igr2= 418, 419,
/
#
# 31 PRO QG 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 470, 471,
/
#
# 31 PRO HA 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 476, 451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO QG 31 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 470, 471,
igr2= 473, 474,
/
#
# 31 PRO QG 31 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 470, 471,
igr2= 467, 468,
/
#
# 31 PRO QG 31 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 470, 471,
igr2= 473, 474,
/
#
# 31 PRO QG 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 470, 471,
/
#
# 31 PRO HA 31 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 473, 474,
/
#
# 31 PRO QG 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 470, 471,
/
#
# 31 PRO QG 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 470, 471,
/
#
# 31 PRO QG 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 470, 471,
/
#
# 31 PRO HA 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 529, 530,
/
#
# 31 PRO QD 40 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 467, 468,
/
#
# 31 PRO QG 40 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 470, 471,
/
#
# 32 LYS H 31 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 473, 474,
/
#
# 32 LYS HA 31 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 473, 474,
/
#
# 32 LYS H 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 482, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 32 LYS H 32 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 490, 491,
/
#
# 32 LYS QB 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 484, 485,
/
#
# 32 LYS QE 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 493, 494,
/
#
# 32 LYS QG 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 487, 488,
/
#
# 32 LYS QG 32 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 487, 488,
igr2= 490, 491,
/
#
# 32 LYS QG 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 487, 488,
/
#
# 32 LYS QG 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 487, 488,
igr2= 484, 485,
/
#
# 32 LYS QD 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 490, 491,
/
#
# 32 LYS QB 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 484, 485,
/
#
# 32 LYS H 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 32 LYS QG 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 487, 488,
/
#
# 32 LYS H 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 482, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS QD 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 490, 491,
/
#
# 32 LYS H 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS QB 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 484, 485,
/
#
# 32 LYS HA 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS HA 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS QG 33 VAL H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 487, 488,
/
#
# 32 LYS QB 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 484, 485,
/
#
# 32 LYS QB 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 484, 485,
/
#
# 32 LYS H 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS HA 35 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 535, 536,
/
#
# 32 LYS QD 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 490, 491,
igr2=2401,2402,2403,
/
#
# 33 VAL QQG 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, 480, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QG1 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 508, 509, 510,
igr2= 484, 485,
/
#
# 33 VAL QQG 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 484, 485,
/
#
# 33 VAL QG1 32 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 508, 509, 510,
/
#
# 33 VAL QQG 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, 502, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL H 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HB 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, 504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL H 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HB 33 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 508, 509, 510,
/
#
# 33 VAL QG1 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL QG1 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL HB 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL QQG 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, 504, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL H 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL H 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL H 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 33 VAL H 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 33 VAL HA 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 33 VAL QG1 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 508, 509, 510,
igr2= 522, 523, 524,
/
#
# 33 VAL QG1 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL HB 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 33 VAL QG1 34 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL HB 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL QQG 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2176, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL HB 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2173, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HB 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2177, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL HB 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 33 VAL HB 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HB 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HB 148 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2245, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL HB 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL H 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2287,2288,
/
#
# 33 VAL HB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL QQG 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2287,2288,
/
#
# 33 VAL QG1 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 508, 509, 510,
igr2=2287,2288,
/
#
# 33 VAL HB 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2287,2288,
/
#
# 33 VAL QQG 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2285, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 34 ALA H 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA H 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 34 ALA H 34 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 520, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA QB 34 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA H 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 34 ALA QB 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 522, 523, 524,
igr2= 529, 530,
/
#
# 34 ALA H 35 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 535, 536,
/
#
# 34 ALA H 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA QB 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA HA 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 520, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA QB 37 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA QB 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 522, 523, 524,
igr2= 563, 564,
/
#
# 34 ALA QB 37 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA QB 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 522, 523, 524,
igr2= 563, 564,
/
#
# 34 ALA QB 38 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA H 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518,2177, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 34 ALA QB 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2177, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1= 522, 523, 524,
/
#
# 34 ALA QB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2178, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA QB 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2177, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1= 522, 523, 524,
/
#
# 35 PRO QG 34 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 532, 533,
/
#
# 35 PRO QG 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 532, 533,
igr2= 529, 530,
/
#
# 35 PRO QD 35 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 529, 530,
igr2= 535, 536,
/
#
# 35 PRO QG 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 532, 533,
/
#
# 35 PRO QG 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 532, 533,
/
#
# 36 GLN QB 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 546, 547,
igr2= 522, 523, 524,
/
#
# 36 GLN QB 34 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 36 GLN QB 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 546, 547,
igr2= 522, 523, 524,
/
#
# 36 GLN 2HG 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 36 GLN 1HG 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 36 GLN H 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 529, 530,
/
#
# 36 GLN 1HG 35 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 532, 533,
/
#
# 36 GLN 2HG 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 529, 530,
/
#
# 36 GLN HA 35 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 535, 536,
/
#
# 36 GLN 1HG 35 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 532, 533,
/
#
# 36 GLN 1HG 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 2HE2 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HE2 36 GLN 2HE2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 555, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HE2 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 2HE2 36 GLN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 546, 547,
/
#
# 36 GLN 1HE2 36 GLN 2HE2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 555, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HE2 36 GLN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 546, 547,
/
#
# 36 GLN 1HE2 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HE2 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 2HG 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HG 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HG 36 GLN 2HG 1.85 6.00
#This appears to be self-referential: ignoring
#
# 36 GLN QB 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 36 GLN 2HG 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN QB 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 36 GLN H 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HG 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HG 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 2HE2 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 2HE2 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HG 36 GLN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 546, 547,
/
#
# 36 GLN QB 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 36 GLN H 37 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 37 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 37 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 2HG 37 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN QB 37 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 36 GLN 1HG 37 HIS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 549, 559, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 36 GLN QB 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 546, 547,
igr2= 563, 564,
/
#
# 36 GLN H 38 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 576, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 38 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 576, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN QB 38 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 37 HIS H 35 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 535, 536,
/
#
# 37 HIS H 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS QB 37 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 563, 564,
/
#
# 37 HIS H 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 563, 564,
/
#
# 37 HIS H 37 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS HA 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 563, 564,
/
#
# 37 HIS H 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 563, 564,
/
#
# 37 HIS H 38 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 576, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS H 38 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 576, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS HA 59 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 561, 876, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS HA 60 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 561, 886, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 38 PHE H 37 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, 572, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 38 PHE H 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 563, 564,
/
#
# 38 PHE H 37 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, 561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 38 PHE H 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 563, 564,
/
#
# 38 PHE H 39 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 602, 603, 604,
/
#
# 38 PHE H 39 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 602, 603, 604,
/
#
# 38 PHE H 59 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, 876, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 39 THR QG2 39 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 602, 603, 604,
/
#
# 39 THR QG2 39 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 602, 603, 604,
/
#
# 39 THR HA 39 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 598, 600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 39 THR QG2 39 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 602, 603, 604,
/
#
# 39 THR QG2 39 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 602, 603, 604,
/
#
# 40 GLY 1HA 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 404, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 GLY 1HA 31 PRO QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 473, 474,
/
#
# 40 GLY 2HA 31 PRO QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 473, 474,
/
#
# 40 GLY H 39 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 610, 600, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 40 GLY 2HA 39 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 613, 598, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 GLY 1HA 39 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 612, 598, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 40 GLY H 39 THR QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 602, 603, 604,
/
#
# 40 GLY 2HA 40 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 613, 610, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 GLY 2HA 40 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 613, 610, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 GLY 1HA 40 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 610, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 GLY 1HA 41 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 612, 619, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 40 GLY 2HA 41 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 613, 619, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 41 ALA QB 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 621, 622, 623,
igr2= 396, 397, 398,
/
#
# 41 ALA H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 41 ALA QB 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA H 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 404, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA QB 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 406, 407,
/
#
# 41 ALA H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 41 ALA QB 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 406, 407,
/
#
# 41 ALA QB 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA H 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 416, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA QB 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA H 31 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 470, 471,
/
#
# 41 ALA H 40 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 613, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 40 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 612, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 40 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 610, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA QB 40 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA QB 40 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA H 40 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 617, 612, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 41 ALA H 40 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 613, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 621, 622, 623,
/
#
# 41 ALA H 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 619, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA QB 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA QB 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA H 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 619, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 42 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA QB 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA H 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA QB 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 627, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA QB 42 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA HA 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 631, 632,
/
#
# 41 ALA QB 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA QB 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 792, 793,
/
#
# 41 ALA QB 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA HA 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 619, 827, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA HA 56 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 619, 825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA QB 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 42 GLU H 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 619, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 619, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 42 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 631, 632,
/
#
# 42 GLU H 42 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 634, 635,
/
#
# 42 GLU QG 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 634, 635,
igr2= 631, 632,
/
#
# 42 GLU HA 42 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 634, 635,
/
#
# 42 GLU HA 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 631, 632,
/
#
# 42 GLU H 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 631, 632,
/
#
# 42 GLU H 42 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 634, 635,
/
#
# 42 GLU H 42 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU QG 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 634, 635,
igr2= 631, 632,
/
#
# 42 GLU H 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU HA 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 642, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 642, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU QG 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 634, 635,
/
#
# 42 GLU QG 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 634, 635,
/
#
# 42 GLU QG 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 634, 635,
/
#
# 42 GLU HA 43 ASN 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 629, 646, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 42 GLU HA 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU HA 43 ASN 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 629, 646, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 42 GLU HA 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 663, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU QG 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 634, 635,
/
#
# 42 GLU QG 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 634, 635,
/
#
# 42 GLU QG 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 634, 635,
/
#
# 42 GLU QG 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 634, 635,
/
#
# 42 GLU HA 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 42 GLU H 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 54 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 786, 787,
/
#
# 42 GLU H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 783, 784,
/
#
# 42 GLU HA 54 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 783, 784,
/
#
# 42 GLU H 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 801, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 801, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 55 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 805, 806,
/
#
# 42 GLU HA 55 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 629, 801, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 42 GLU H 56 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 631, 632,
/
#
# 43 ASN HA 42 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 634, 635,
/
#
# 43 ASN H 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 631, 632,
/
#
# 43 ASN 2HD2 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 652, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 43 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 652, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, 652, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 642, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 43 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 652, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 43 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 652, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, 652, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 652, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HB 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HB 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 652, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 658, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 43 ASN HA 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 43 ASN HA 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 658, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HB 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HB 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 45 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 651, 677, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 43 ASN 2HD2 47 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 652, 699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN 1HD2 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN H 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN 2HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN 1HD2 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN 1HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN HA 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN 2HD2 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN 2HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN 1HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 43 ASN HA 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 760, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 783, 784,
/
#
# 43 ASN HA 54 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 786, 787,
/
#
# 44 LEU H 42 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 634, 635,
/
#
# 44 LEU HA 42 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 631, 632,
/
#
# 44 LEU QQD 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 631, 632,
/
#
# 44 LEU QQD 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 631, 632,
/
#
# 44 LEU H 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 642, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 642, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU HG 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 663, 642, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 647, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 43 ASN 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 656, 646, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 44 LEU HA 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 658, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 663, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 658, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 44 LEU H 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 44 LEU HG 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 44 LEU HA 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 44 LEU QB 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 660, 661,
/
#
# 44 LEU QB 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 660, 661,
/
#
# 44 LEU HA 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 658, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 44 LEU HA 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 658, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 44 LEU HA 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 44 LEU H 44 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 656, 658, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 44 LEU HA 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 658, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 45 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 679, 680,
/
#
# 44 LEU HA 45 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 679, 680,
/
#
# 44 LEU HG 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 663, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU QB 45 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 660, 661,
/
#
# 44 LEU H 45 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 679, 680,
/
#
# 44 LEU H 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 760, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 760, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU QB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 660, 661,
/
#
# 44 LEU H 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU QB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 660, 661,
/
#
# 44 LEU H 53 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 656, 764, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 44 LEU H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 783, 784,
/
#
# 44 LEU HG 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 783, 784,
/
#
# 44 LEU HG 55 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 663, 803, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 44 LEU QQD 55 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 808, 809,
/
#
# 44 LEU QQD 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 803, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 44 LEU QQD 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1018,1019,
/
#
# 45 GLU H 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 45 GLU H 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 45 GLU QB 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 679, 680,
igr2= 660, 661,
/
#
# 45 GLU H 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 45 GLU H 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 45 GLU QB 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 679, 680,
igr2= 660, 661,
/
#
# 45 GLU H 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 677, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU H 45 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 679, 680,
/
#
# 45 GLU HA 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 682, 683,
/
#
# 45 GLU H 45 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 679, 680,
/
#
# 45 GLU QB 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU QB 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 679, 680,
igr2= 682, 683,
/
#
# 45 GLU H 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 682, 683,
/
#
# 45 GLU QB 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 679, 680,
igr2= 682, 683,
/
#
# 45 GLU HA 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 682, 683,
/
#
# 45 GLU QB 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU QB 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU H 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 690, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU HA 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 692, 693,
/
#
# 45 GLU QB 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU QB 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU H 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 760, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU H 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 760, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU H 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU QB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU QB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU QB 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU H 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU QB 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 679, 680,
/
#
# 45 GLU HA 53 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 677, 760, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 46 GLY H 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 682, 683,
/
#
# 46 GLY QA 45 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.19, r4= 8.69,
igr1= 692, 693,
igr2= 682, 683,
/
#
# 46 GLY QA 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 692, 693,
igr2= 682, 683,
/
#
# 46 GLY H 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 692, 693,
/
#
# 46 GLY H 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 692, 693,
/
#
# 46 GLY QA 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 46 GLY H 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 697, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 46 GLY H 47 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 46 GLY H 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 697, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 46 GLY QA 47 ASN 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 692, 693,
/
#
# 46 GLY QA 47 ASN 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 692, 693,
/
#
# 46 GLY QA 47 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 46 GLY QA 47 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 46 GLY QA 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 46 GLY QA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 46 GLY QA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 46 GLY QA 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 46 GLY QA 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 46 GLY H 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 46 GLY QA 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 692, 693,
/
#
# 47 ASN HA 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 692, 693,
/
#
# 47 ASN HA 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 697, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 2HB 47 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 702, 707, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 47 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 707, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HD2 47 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 706, 707, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 47 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 2HB 47 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 702, 706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 47 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 47 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 47 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HD2 47 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 706, 707, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 47 ASN 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 697, 702, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 47 ASN 1HB 47 ASN 2HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 707, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 47 ASN H 47 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 47 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 47 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 47 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 47 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 2HB 47 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 702, 706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 47 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 2HB 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 702, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 48 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 711, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 47 ASN HA 48 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 713, 714,
/
#
# 47 ASN 2HD2 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 707, 718, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 718, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 49 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 721, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 49 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 718, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 47 ASN H 49 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 720, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 48 GLY H 48 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 713, 714,
/
#
# 48 GLY H 48 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 713, 714,
/
#
# 48 GLY H 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, 718, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 48 GLY H 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, 718, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 48 GLY H 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 48 GLY H 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 49 GLY 2HA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 721, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 49 GLY 1HA 48 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 720, 711, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 49 GLY H 48 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 713, 714,
/
#
# 49 GLY 2HA 48 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 713, 714,
/
#
# 49 GLY 1HA 48 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 713, 714,
/
#
# 49 GLY 2HA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 721, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 49 GLY 1HA 49 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 720, 721, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 49 GLY 1HA 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 720, 718, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 49 GLY 2HA 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 721, 718, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 49 GLY 2HA 50 PRO QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 729, 730,
/
#
# 49 GLY 2HA 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 726, 727,
/
#
# 49 GLY 1HA 50 PRO QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 729, 730,
/
#
# 49 GLY 2HA 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 726, 727,
/
#
# 49 GLY H 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 718, 750, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 49 GLY 2HA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 721,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 49 GLY 2HA 74 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 721,1125, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 50 PRO QG 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 729, 730,
igr2= 732, 733,
/
#
# 50 PRO HA 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 732, 733,
/
#
# 50 PRO QG 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 729, 730,
igr2= 732, 733,
/
#
# 50 PRO QD 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 726, 727,
igr2= 732, 733,
/
#
# 50 PRO HA 50 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 729, 730,
/
#
# 50 PRO QD 50 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 726, 727,
igr2= 729, 730,
/
#
# 50 PRO QD 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 726, 727,
igr2= 732, 733,
/
#
# 50 PRO HA 50 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 729, 730,
/
#
# 50 PRO HA 51 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 741, 742,
/
#
# 50 PRO HA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 735,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 50 PRO HA 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 735,1079, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO HA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 735,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 50 PRO HA 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 735,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO QG 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 729, 730,
igr2=1113,1114,
/
#
# 50 PRO QD 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 726, 727,
/
#
# 51 GLY H 50 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 729, 730,
/
#
# 51 GLY H 50 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 735, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 732, 733,
/
#
# 51 GLY H 51 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 741, 742,
/
#
# 51 GLY H 51 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 741, 742,
/
#
# 51 GLY H 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1066,1067,
/
#
# 51 GLY H 70 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1057,1058,
/
#
# 51 GLY H 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1060,1061,
/
#
# 51 GLY QA 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 741, 742,
igr2=1060,1061,
/
#
# 51 GLY QA 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 741, 742,
igr2=1066,1067,
/
#
# 51 GLY H 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 51 GLY H 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739,1079, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 71 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739,1077, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR HA 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 682, 683,
/
#
# 52 THR QG2 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 45 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 752, 753, 754,
igr2= 679, 680,
/
#
# 52 THR QG2 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 752, 753, 754,
igr2= 692, 693,
/
#
# 52 THR HA 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 692, 693,
/
#
# 52 THR HA 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 697, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 47 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR HA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 48 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 752, 753, 754,
igr2= 713, 714,
/
#
# 52 THR QG2 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 48 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 752, 753, 754,
igr2= 713, 714,
/
#
# 52 THR H 51 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 741, 742,
/
#
# 52 THR H 51 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 741, 742,
/
#
# 52 THR QG2 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR HB 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR HA 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR HB 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 53 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR HB 53 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 762, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR H 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1066,1067,
/
#
# 52 THR QG2 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR H 71 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746,1077, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR H 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746,1079, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR H 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 52 THR HA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 52 THR QG2 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR QG2 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 752, 753, 754,
/
#
# 52 THR HB 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 52 THR HB 71 VAL H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 750,1075, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 53 ILE HB 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 53 ILE HB 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 53 ILE HB 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 53 ILE H 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 682, 683,
/
#
# 53 ILE H 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 692, 693,
/
#
# 53 ILE H 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 692, 693,
/
#
# 53 ILE H 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE H 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 750, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE H 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE H 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE H 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 52 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 764, 748, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 53 ILE H 53 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 762, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 760, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 760, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 53 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 764, 762, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 53 ILE H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HA 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 762, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HA 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 762, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HA 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 762,1036, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE H 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760,1055, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE H 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1060,1061,
/
#
# 53 ILE HB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 53 ILE HA 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1331,1332,1333,
/
#
# 54 LYS HA 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, 642, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS HA 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, 644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS HA 44 LEU QQD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 781, 662, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 54 LYS HA 44 LEU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 660, 661,
/
#
# 54 LYS HA 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS HA 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS QB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 783, 784,
igr2= 752, 753, 754,
/
#
# 54 LYS QG 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 786, 787,
igr2= 752, 753, 754,
/
#
# 54 LYS QB 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 783, 784,
/
#
# 54 LYS H 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 792, 793,
/
#
# 54 LYS QB 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 783, 784,
igr2= 792, 793,
/
#
# 54 LYS QB 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 783, 784,
/
#
# 54 LYS HA 54 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 786, 787,
/
#
# 54 LYS QG 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 786, 787,
igr2= 792, 793,
/
#
# 54 LYS HA 54 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 786, 787,
/
#
# 54 LYS QG 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 786, 787,
/
#
# 54 LYS HA 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 783, 784,
/
#
# 54 LYS H 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 779, 803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS HA 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, 803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS H 68 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 779,1016, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS H 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 779,1036, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS H 69 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1040,1041,
/
#
# 54 LYS H 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 779,1036, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS QG 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 786, 787,
/
#
# 54 LYS QG 69 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 786, 787,
igr2=1040,1041,
/
#
# 54 LYS QG 69 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 786, 787,
igr2=1040,1041,
/
#
# 54 LYS QG 69 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 786, 787,
/
#
# 54 LYS H 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 779,1055, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS H 70 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 779,1055, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 54 LYS QG 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 786, 787,
/
#
# 54 LYS H 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1331,1332,1333,
/
#
# 55 LYS H 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 631, 632,
/
#
# 55 LYS H 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 55 LYS H 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 55 LYS QB 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 805, 806,
/
#
# 55 LYS QB 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 805, 806,
/
#
# 55 LYS QB 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 805, 806,
/
#
# 55 LYS H 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 660, 661,
/
#
# 55 LYS H 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS QB 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 805, 806,
/
#
# 55 LYS H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 783, 784,
/
#
# 55 LYS H 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 783, 784,
/
#
# 55 LYS H 54 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 786, 787,
/
#
# 55 LYS H 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 55 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 808, 809,
/
#
# 55 LYS H 55 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 805, 806,
/
#
# 55 LYS HA 55 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 811, 812,
/
#
# 55 LYS QB 55 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 805, 806,
igr2= 811, 812,
/
#
# 55 LYS H 55 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 811, 812,
/
#
# 55 LYS QB 55 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 805, 806,
igr2= 808, 809,
/
#
# 55 LYS HA 55 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 808, 809,
/
#
# 55 LYS H 55 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 805, 806,
/
#
# 55 LYS QB 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 805, 806,
/
#
# 55 LYS H 56 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS HA 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 803,1036, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE H 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, 662, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 56 ILE H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 783, 784,
/
#
# 56 ILE H 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, 781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE H 55 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 805, 806,
/
#
# 56 ILE H 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, 803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE H 55 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 808, 809,
/
#
# 56 ILE H 55 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 808, 809,
/
#
# 56 ILE H 56 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, 825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE H 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, 827, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE HA 56 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 827, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 56 ILE H 67 MET QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1004,1005,
/
#
# 56 ILE HB 67 MET QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1004,1005,
/
#
# 56 ILE HB 67 MET QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1004,1005,
/
#
# 56 ILE H 67 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1001,1002,
/
#
# 56 ILE H 68 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823,1016, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE HB 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827,1014, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE HB 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827,1036, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 62 SER QB 62 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 910, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 912, 913,
/
#
# 62 SER HA 64 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 910, 934, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 63 GLU H 62 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 919, 910, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 63 GLU H 62 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 912, 913,
/
#
# 63 GLU H 62 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 919, 910, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 64 PHE H 64 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 942, 950,
/
#
# 64 PHE QD 64 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 942, 950,
/
#
# 64 PHE QD 64 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 942, 950,
/
#
# 64 PHE QD 64 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 942, 950,
/
#
# 64 PHE H 64 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 942, 950,
/
#
# 64 PHE H 64 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 938, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 64 PHE H 64 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 936, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 64 PHE H 64 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 939, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 64 PHE HA 64 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 936, 939, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 64 PHE HA 64 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 64 PHE QD 64 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 942, 950,
/
#
# 64 PHE H 64 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 938, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 64 PHE QD 64 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 942, 950,
/
#
# 64 PHE H 64 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 939, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 67 MET HA 55 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 808, 809,
/
#
# 67 MET QB 67 MET HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1001,1002,
/
#
# 67 MET QB 67 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1001,1002,
/
#
# 67 MET QG 67 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1004,1005,
/
#
# 67 MET QG 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1004,1005,
/
#
# 67 MET QG 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1004,1005,
/
#
# 67 MET QB 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1001,1002,
/
#
# 67 MET QG 69 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1004,1005,
/
#
# 67 MET QB 69 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1001,1002,
/
#
# 67 MET QG 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1004,1005,
/
#
# 68 LYS H 55 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 808, 809,
/
#
# 68 LYS H 67 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014, 999, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS HA 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1016,1014, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1018,1019,
/
#
# 68 LYS HA 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1016,1036, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 68 LYS HA 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 68 LYS QB 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1018,1019,
igr2=1328,1329,
/
#
# 68 LYS H 87 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1341, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 87 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1341,1342,
/
#
# 68 LYS H 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1355, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS H 67 MET 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036,1001, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS H 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1018,1019,
/
#
# 69 HIS H 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036,1038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS QB 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1040,1041,
/
#
# 69 HIS QB 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1040,1041,
/
#
# 69 HIS H 69 HIS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1036,1038, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 69 HIS HA 69 HIS HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1038,1049, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 69 HIS QB 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1040,1041,
/
#
# 69 HIS QB 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1040,1041,
/
#
# 69 HIS QB 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1040,1041,
/
#
# 69 HIS HA 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1038,1053, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS H 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036,1053, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS HA 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1038,1053, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS HA 83 TYR QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1275,1284,
/
#
# 69 HIS QB 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1040,1041,
/
#
# 69 HIS HA 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1038,1301, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS HA 85 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1038,1303, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 69 HIS H 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 69 HIS H 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 70 LYS QB 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1057,1058,
/
#
# 70 LYS QG 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1060,1061,
/
#
# 70 LYS HA 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1055,1053, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QB 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1057,1058,
/
#
# 70 LYS QG 70 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1060,1061,
igr2=1057,1058,
/
#
# 70 LYS QB 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1057,1058,
/
#
# 70 LYS QE 70 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1066,1067,
igr2=1057,1058,
/
#
# 70 LYS QB 70 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1057,1058,
/
#
# 70 LYS QE 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1066,1067,
/
#
# 70 LYS HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1055,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QG 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1060,1061,
/
#
# 70 LYS QB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1057,1058,
/
#
# 70 LYS HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1055,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1057,1058,
/
#
# 70 LYS QB 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1057,1058,
/
#
# 70 LYS QG 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1060,1061,
igr2=1098,1099,
/
#
# 70 LYS QG 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1060,1061,
/
#
# 70 LYS QD 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1063,1064,
/
#
# 70 LYS HA 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1055,1288, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QB 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1057,1058,
igr2=1324,1325,1326,
/
#
# 70 LYS QD 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1063,1064,
igr2=1324,1325,1326,
/
#
# 70 LYS QG 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1060,1061,
igr2=1324,1325,1326,
/
#
# 70 LYS QE 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1066,1067,
igr2=1324,1325,1326,
/
#
# 70 LYS QB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1057,1058,
igr2=1331,1332,1333,
/
#
# 70 LYS HA 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 70 LYS HA 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 70 LYS QE 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1066,1067,
igr2=1331,1332,1333,
/
#
# 70 LYS QB 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1057,1058,
igr2=1328,1329,
/
#
# 70 LYS QB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1057,1058,
igr2=1331,1332,1333,
/
#
# 70 LYS QB 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1057,1058,
igr2=1328,1329,
/
#
# 71 VAL QQG 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 732, 733,
/
#
# 71 VAL QQG 53 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1078, 762, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 71 VAL HB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1079,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QQG 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1078,1075, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL HB 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1079,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QQG 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1078,1091, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL HA 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QQG 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1078,1091, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL HA 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 71 VAL QQG 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1078,1125, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL QQG 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1245,1250,
/
#
# 71 VAL QQG 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1243,1252,
/
#
# 71 VAL QQG 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1078,1267, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL HA 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1271,1272,
/
#
# 71 VAL HA 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL HA 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1288, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU HA 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 732, 733,
/
#
# 72 GLU HA 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1095,1096,
/
#
# 72 GLU HA 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 72 GLU H 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1095,1096,
/
#
# 72 GLU QB 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1095,1096,
igr2=1098,1099,
/
#
# 72 GLU H 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 72 GLU QB 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1095,1096,
igr2=1098,1099,
/
#
# 72 GLU H 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 72 GLU QB 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1095,1096,
igr2=1110,1111,
/
#
# 72 GLU QB 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1095,1096,
igr2=1110,1111,
/
#
# 72 GLU H 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 72 GLU H 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1271,1272,
/
#
# 73 GLU H 50 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106, 735, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 50 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106, 735, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU HA 50 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 732, 733,
/
#
# 73 GLU H 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 73 GLU H 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 73 GLU HA 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1108,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1095,1096,
/
#
# 73 GLU H 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1093, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 73 GLU H 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 73 GLU H 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1113,1114,
/
#
# 73 GLU H 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1113,1114,
/
#
# 73 GLU QG 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1113,1114,
/
#
# 73 GLU HA 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 73 GLU H 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 73 GLU H 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 82 CYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1261, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 82 CYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 82 CYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE QG2 19 PHE QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1=1127,1128,1129,
igr2= 282, 286,
/
#
# 74 ILE QD1 48 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1134,1135,1136,
igr2= 713, 714,
/
#
# 74 ILE QD1 48 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1=1134,1135,1136,
igr2= 713, 714,
/
#
# 74 ILE H 49 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, 720, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE QD1 49 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1134,1135,1136,
/
#
# 74 ILE QD1 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1134,1135,1136,
igr2= 726, 727,
/
#
# 74 ILE HA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1078, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 74 ILE QD1 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1134,1135,1136,
/
#
# 74 ILE QD1 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1134,1135,1136,
/
#
# 74 ILE H 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121,1108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1113,1114,
/
#
# 74 ILE HB 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1125,1108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 74 ILE H 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1113,1114,
/
#
# 74 ILE H 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121,1125, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1131,1132,
/
#
# 74 ILE H 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 74 ILE QG1 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1131,1132,
igr2=1127,1128,1129,
/
#
# 74 ILE HA 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 74 ILE HA 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1131,1132,
/
#
# 74 ILE QD1 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1134,1135,1136,
/
#
# 74 ILE QG1 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1131,1132,
igr2=1134,1135,1136,
/
#
# 74 ILE H 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 74 ILE QG2 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1127,1128,1129,
/
#
# 74 ILE H 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121,1125, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 74 ILE QD1 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1134,1135,1136,
/
#
# 74 ILE HA 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1125, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE QG1 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1131,1132,
igr2=1127,1128,1129,
/
#
# 74 ILE QG1 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1131,1132,
/
#
# 74 ILE HA 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 74 ILE HA 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE QG2 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1127,1128,1129,
igr2=1156,1157,
/
#
# 74 ILE QG2 76 HIS HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1127,1128,1129,
/
#
# 74 ILE HA 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 74 ILE HB 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 74 ILE QG1 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1131,1132,
igr2=1245,1250,
/
#
# 74 ILE HA 81 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1237, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE QG1 81 TYR QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.19, r4= 8.69,
igr1=1131,1132,
igr2=1243,1252,
/
#
# 74 ILE QG2 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1127,1128,1129,
igr2=1243,1252,
/
#
# 74 ILE HA 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 19 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 282, 286,
/
#
# 75 ASP 2HB 19 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 282, 286,
/
#
# 75 ASP 1HB 19 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 282, 286,
/
#
# 75 ASP H 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1121, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1131,1132,
/
#
# 75 ASP H 74 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1123, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1142,1121, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1121, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 75 ASP 2HB 74 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1123, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 75 ASP HA 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 75 ASP H 74 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1140,1125, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 75 ASP 1HB 74 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1123, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 74 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1142,1123, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 75 ASP HA 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1142,1140, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1140, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 2HB 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1140, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 75 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1142, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 2HB 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1140, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 2HB 75 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1142, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1140, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 2HB 75 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1142, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 75 ASP H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1142,1140, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 75 ASP H 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1142,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 76 HIS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1142,1152, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 75 ASP 1HB 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1179, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 80 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1217,1218,
/
#
# 75 ASP 1HB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 80 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1144,1215, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 75 ASP 2HB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 80 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1217,1218,
/
#
# 75 ASP H 81 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1237, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 76 HIS HA 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 76 HIS H 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1156,1157,
/
#
# 76 HIS HA 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1154,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 76 HIS H 76 HIS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1156,1157,
/
#
# 76 HIS HA 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1156,1157,
/
#
# 77 ALA H 75 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1142, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA H 75 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1142, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA QB 75 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA H 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA H 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA H 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1156,1157,
/
#
# 77 ALA QB 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1173,1174,1175,
igr2=1156,1157,
/
#
# 77 ALA H 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1156,1157,
/
#
# 77 ALA H 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA QB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA H 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1169,1171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA QB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1179, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1179, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 78 ASN H 75 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1142, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1156,1157,
/
#
# 78 ASN H 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1169, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1169, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1169, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1169, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1181,1169, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 77 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1181,1171, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN H 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HD2 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1188,1189, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1189, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1189, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1179, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1179, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1181,1179, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1189, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HD2 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1188,1189, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1181, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1181, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 78 ASN H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1181,1179, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN HA 78 ASN 2HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1181,1189, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN 2HB 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1179, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1181, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1189, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1179, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1189, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 79 PHE QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1201,1209,
/
#
# 78 ASN H 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 80 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1217,1218,
/
#
# 78 ASN 1HB 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1223,1224,
/
#
# 78 ASN 2HB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE QB 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1197,1198,
igr2= 280, 288,
/
#
# 79 PHE H 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE HA 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1195,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 76 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1173,1174,1175,
/
#
# 79 PHE H 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1169, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 77 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1193,1171, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 79 PHE H 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1173,1174,1175,
/
#
# 79 PHE H 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1181, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 78 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1179, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 78 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1179, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 78 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1184, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE HA 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1201,1209,
/
#
# 79 PHE QB 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1197,1198,
igr2=1201,1209,
/
#
# 79 PHE H 79 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1197,1198,
/
#
# 79 PHE H 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1195, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1201,1209,
/
#
# 79 PHE QB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1197,1198,
/
#
# 79 PHE H 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 80 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1217,1218,
/
#
# 79 PHE H 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE HA 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1195,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE HA 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1195,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE QB 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1197,1198,
igr2=1604,1605,
/
#
# 79 PHE HA 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1604,1605,
/
#
# 80 LYS H 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 80 LYS H 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213,1140, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213,1140, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1201,1209,
/
#
# 80 LYS H 80 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1217,1218,
/
#
# 80 LYS H 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213,1215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS QB 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1217,1218,
/
#
# 80 LYS H 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213,1215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS QD 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1223,1224,
igr2=1226,1227,
/
#
# 80 LYS HA 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1223,1224,
/
#
# 80 LYS H 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS HA 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1215,1239, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS QB 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1217,1218,
/
#
# 81 TYR 1HB 19 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 280, 288,
/
#
# 81 TYR 1HB 19 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 282, 286,
/
#
# 81 TYR HA 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 74 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1127,1128,1129,
/
#
# 81 TYR H 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 80 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1217,1218,
/
#
# 81 TYR H 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR QD 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1243,1252,
igr2=1245,1250,
/
#
# 81 TYR 1HB 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 81 TYR HA 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1239, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1243,1252,
/
#
# 81 TYR HA 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1239, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR 1HB 81 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1245,1250,
/
#
# 81 TYR 2HB 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1240, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1243,1252,
/
#
# 81 TYR 1HB 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1243,1252,
/
#
# 81 TYR H 81 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1235,1240, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 81 TYR HA 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 81 TYR HA 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1243,1252,
/
#
# 81 TYR HA 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1240, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1239, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 82 CYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1261, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 82 CYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 81 TYR H 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS H 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1256,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 72 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1261,1091, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS 1HB 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1095,1096,
/
#
# 82 CYS 2HB 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1095,1096,
/
#
# 82 CYS 1HB 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1095,1096,
/
#
# 82 CYS 1HB 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 82 CYS 2HB 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 82 CYS 2HB 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1095,1096,
/
#
# 82 CYS 1HB 72 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1260,1091, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS 1HB 73 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1260,1108, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS 2HB 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 82 CYS 1HB 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 82 CYS 2HB 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 82 CYS 1HB 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 82 CYS H 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1110,1111,
/
#
# 82 CYS H 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1256,1240, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS H 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1243,1252,
/
#
# 82 CYS H 82 CYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1256,1261, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS H 82 CYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1256,1260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS H 82 CYS 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1256,1261, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS H 82 CYS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1256,1260, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS 2HB 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS H 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1256,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS HA 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS HA 101 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1258,1546, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS HA 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 101 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1261,1546, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS 1HB 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1551,1552,
/
#
# 82 CYS HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR HA 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR HA 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1095,1096,
/
#
# 83 TYR HA 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 83 TYR HA 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 83 TYR HA 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR QD 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1275,1284,
igr2=1245,1250,
/
#
# 83 TYR QE 81 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.19, r4= 8.69,
igr1=1277,1282,
igr2=1245,1250,
/
#
# 83 TYR QB 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1271,1272,
igr2=1243,1252,
/
#
# 83 TYR HA 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 83 TYR H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR QE 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1277,1282,
igr2=1275,1284,
/
#
# 83 TYR QE 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1277,1282,
igr2=1275,1284,
/
#
# 83 TYR H 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 83 TYR HA 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 83 TYR QB 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1271,1272,
igr2=1275,1284,
/
#
# 83 TYR H 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1271,1272,
/
#
# 83 TYR H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 83 TYR H 83 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1277,1282,
/
#
# 83 TYR QE 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1277,1282,
igr2=1271,1272,
/
#
# 83 TYR HA 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1271,1272,
/
#
# 83 TYR QB 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1271,1272,
igr2=1275,1284,
/
#
# 83 TYR H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR HA 83 TYR QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1275,1284,
/
#
# 83 TYR HA 84 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1269,1290, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 83 TYR HA 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR QE 100 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1277,1282,
igr2=1533,1538,
/
#
# 83 TYR H 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1527, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1053, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1093, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1098,1099,
/
#
# 84 SER H 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 84 SER H 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 84 SER H 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1271,1272,
/
#
# 84 SER H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1271,1272,
/
#
# 84 SER HA 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1271,1272,
/
#
# 84 SER H 83 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1288,1269, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 84 SER H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 84 SER H 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 84 SER HA 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 84 SER HA 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 84 SER H 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER HA 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290,1303, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1527, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER HA 100 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1533,1538,
/
#
# 85 ILE H 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 85 ILE H 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 85 ILE HA 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1301,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HA 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1301, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 85 ILE H 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1303, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1301, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1303, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HA 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1301,1303, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HA 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1301, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 85 ILE H 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1337, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1493, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE H 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE H 69 HIS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1318,1038, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 86 ILE QD1 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1331,1332,1333,
/
#
# 86 ILE QD1 70 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1331,1332,1333,
/
#
# 86 ILE QG2 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1290, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1324,1325,1326,
/
#
# 86 ILE QG2 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1324,1325,1326,
igr2=1292,1293,
/
#
# 86 ILE QG2 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1324,1325,1326,
igr2=1292,1293,
/
#
# 86 ILE H 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1301, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE H 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 86 ILE H 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 86 ILE H 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1322, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE H 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 86 ILE QG2 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1324,1325,1326,
igr2=1331,1332,1333,
/
#
# 86 ILE H 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1324,1325,1326,
/
#
# 86 ILE HB 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1324,1325,1326,
/
#
# 86 ILE QG1 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1328,1329,
igr2=1331,1332,1333,
/
#
# 86 ILE H 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 86 ILE QG1 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1328,1329,
igr2=1331,1332,1333,
/
#
# 86 ILE HB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 86 ILE HB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 86 ILE HA 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1320,1322, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE HA 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1324,1325,1326,
/
#
# 86 ILE H 87 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1341, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1014, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1018,1019,
/
#
# 87 GLU H 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1014, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU QG 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1344,1345,
igr2=1018,1019,
/
#
# 87 GLU QB 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1341,1342,
igr2=1018,1019,
/
#
# 87 GLU H 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1288, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1301, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1303, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 87 GLU H 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1320, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1324,1325,1326,
/
#
# 87 GLU 1HB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 87 GLU H 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 87 GLU 1HB 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1341,1322, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU QB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1341,1342,
igr2=1331,1332,1333,
/
#
# 87 GLU QB 86 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1341,1342,
/
#
# 87 GLU 1HB 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 87 GLU H 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 87 GLU H 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1322, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU HA 86 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1328,1329,
/
#
# 87 GLU H 87 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1341, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 87 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1344,1345,
/
#
# 87 GLU H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1339, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU HA 87 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1344,1345,
/
#
# 87 GLU QG 87 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1344,1345,
/
#
# 87 GLU 1HG 87 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1341,1342,
/
#
# 87 GLU HA 87 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1341,1342,
/
#
# 87 GLU H 87 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1341,1342,
/
#
# 87 GLU HA 87 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1344,1345,
/
#
# 87 GLU HA 87 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339,1341, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1339, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 88 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU HA 88 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1339,1354, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 87 GLU HA 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 87 GLU HA 91 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1339,1387, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 88 GLY 1HA 67 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1354, 999, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1014, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1014, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 87 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1341, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 87 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1344,1345,
/
#
# 88 GLY H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1339, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY 2HA 87 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1344,1345,
/
#
# 88 GLY H 87 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1344,1345,
/
#
# 88 GLY H 87 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1341,1342,
/
#
# 88 GLY H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1339, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1355, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY 1HA 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1354,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY H 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 88 GLY H 92 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY 1HA 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1354,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 1HB 90 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1373,1371, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO HA 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1376,1374, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO HA 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1376,1373, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 1HB 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1373,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 2HB 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1374,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QQD 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386,1303, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 91 LEU QQD 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386,1352, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 91 LEU H 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1374, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1373, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1376, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1374, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QQD 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386,1374, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 91 LEU QQD 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386,1373, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 91 LEU H 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1373, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU HA 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382,1374, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 91 LEU QQD 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386,1380, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 91 LEU H 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU HA 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QQD 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1384,1385,
/
#
# 91 LEU HA 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 91 LEU H 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 91 LEU HA 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QQD 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386,1399, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 91 LEU HA 92 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1382,1399, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 91 LEU QQD 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386,1437, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 91 LEU HA 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QQD 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=1499,1500,1501,
/
#
# 92 GLY H 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1373, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1376, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 2HA 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1402,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 1HA 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1401,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 92 GLY H 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 2HA 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1402, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 92 GLY H 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 92 GLY 1HA 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1401,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 1HA 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1401,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 2HA 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1402,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 2HA 93 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1402,1408, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 1HA 93 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1401,1408, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 93 HIS QB 93 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1410,1411,
/
#
# 93 HIS QB 93 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1410,1411,
/
#
# 94 THR QG2 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1429,1430,1431,
/
#
# 94 THR H 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1423,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 94 THR QG2 93 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1429,1430,1431,
igr2=1410,1411,
/
#
# 94 THR QG2 93 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1429,1430,1431,
igr2=1410,1411,
/
#
# 94 THR HA 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1429,1430,1431,
/
#
# 94 THR HA 94 THR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1425,1423, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 94 THR HA 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425,1427, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 94 THR HA 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1429,1430,1431,
/
#
# 94 THR QG2 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1429,1430,1431,
/
#
# 94 THR HA 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 94 THR HA 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 94 THR HA 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 94 THR HA 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 94 THR HA 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1898,1899,
/
#
# 94 THR HA 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1892,1893,
/
#
# 94 THR HA 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1898,1899,
/
#
# 94 THR HA 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 95 LEU QQD 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1380, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU QB 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1441,1442,
/
#
# 95 LEU QB 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1441,1442,
igr2=1384,1385,
/
#
# 95 LEU QQD 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1387, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU QB 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1441,1442,
igr2=1384,1385,
/
#
# 95 LEU QQD 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1382, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU HG 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QB 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1441,1442,
/
#
# 95 LEU QQD 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1387, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU H 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1429,1430,1431,
/
#
# 95 LEU H 94 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437,1423, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HG 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1429,1430,1431,
/
#
# 95 LEU QQD 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1427, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU H 94 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1437,1427, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 95 LEU HA 94 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1439,1427, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 95 LEU QB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1441,1442,
/
#
# 95 LEU QQD 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1437, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU HA 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 95 LEU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1441,1442,
/
#
# 95 LEU QB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1441,1442,
/
#
# 95 LEU QB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1441,1442,
/
#
# 95 LEU HA 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU QB 95 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1441,1442,
/
#
# 95 LEU HA 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1460,1461,
/
#
# 95 LEU QQD 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1844,1853,
/
#
# 95 LEU QQD 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1846,1851,
/
#
# 96 GLU H 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU HA 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1384,1385,
/
#
# 96 GLU H 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1439, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 95 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1441,1442,
/
#
# 96 GLU H 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 96 GLU H 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 96 GLU H 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1463,1464,
/
#
# 96 GLU QG 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1463,1464,
igr2=1460,1461,
/
#
# 96 GLU HA 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1460,1461,
/
#
# 96 GLU QG 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1463,1464,
igr2=1460,1461,
/
#
# 96 GLU H 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1463,1464,
/
#
# 96 GLU HA 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1463,1464,
/
#
# 96 GLU H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1460,1461,
/
#
# 96 GLU H 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1878, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1898,1899,
/
#
# 96 GLU H 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1888, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1888, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU QB 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1460,1461,
igr2=1901,1902,
/
#
# 96 GLU QG 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1463,1464,
igr2=1901,1902,
/
#
# 96 GLU QB 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1460,1461,
igr2=1895,1896,
/
#
# 96 GLU QB 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1460,1461,
igr2=1895,1896,
/
#
# 96 GLU H 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1895,1896,
/
#
# 96 GLU QG 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1463,1464,
igr2=1895,1896,
/
#
# 96 GLU HA 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1898,1899,
/
#
# 97 LYS H 91 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1386, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 97 LYS H 95 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1441,1442,
/
#
# 97 LYS H 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1439, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1456, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1463,1464,
/
#
# 97 LYS H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1460,1461,
/
#
# 97 LYS H 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1458, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1456, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1460,1461,
/
#
# 97 LYS H 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1463,1464,
/
#
# 97 LYS H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1876, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1895,1896,
/
#
# 98 ILE H 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1288, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 84 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1493,1290, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 98 ILE H 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1301, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE QG2 85 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1499,1500,1501,
/
#
# 98 ILE H 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1324,1325,1326,
/
#
# 98 ILE H 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1320, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 98 ILE H 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 98 ILE QG2 100 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1499,1500,1501,
igr2=1533,1538,
/
#
# 98 ILE H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 84 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1512,1290, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 99 SER HA 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 99 SER QB 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1290, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1516,1517,
/
#
# 99 SER QB 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1516,1517,
igr2=1292,1293,
/
#
# 99 SER H 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1299, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1299, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1493, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 99 SER H 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1493, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1493, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 99 SER HA 98 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1499,1500,1501,
/
#
# 99 SER H 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 99 SER HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 99 SER HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 99 SER H 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 100 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1533,1538,
/
#
# 99 SER H 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 82 CYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1261, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 100 TYR H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1292,1293,
/
#
# 100 TYR H 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1290, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 100 TYR H 98 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1499,1500,1501,
/
#
# 100 TYR H 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 100 TYR H 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 100 TYR 2HB 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1531,1540,
/
#
# 100 TYR H 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1531,1540,
/
#
# 100 TYR HA 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1528, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1527, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1531,1540,
/
#
# 100 TYR H 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1528, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR HA 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1527, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR HA 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1528, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1527, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR 2HB 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1531,1540,
/
#
# 100 TYR 1HB 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1531,1540,
/
#
# 100 TYR HA 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1528, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR HA 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1527, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR HA 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1531,1540,
/
#
# 100 TYR H 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR HA 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR HA 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1548,1549,
/
#
# 100 TYR HA 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1548,1549,
/
#
# 100 TYR HA 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU QG 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1551,1552,
igr2=1226,1227,
/
#
# 101 GLU QB 82 CYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1548,1549,
/
#
# 101 GLU QB 82 CYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1548,1549,
/
#
# 101 GLU H 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU QB 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1548,1549,
/
#
# 101 GLU H 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1531,1540,
/
#
# 101 GLU H 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1527, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1551,1552,
/
#
# 101 GLU H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU QB 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1548,1549,
/
#
# 101 GLU QB 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1548,1549,
/
#
# 101 GLU QB 101 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1548,1549,
/
#
# 101 GLU QB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1548,1549,
igr2=1551,1552,
/
#
# 101 GLU HA 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1551,1552,
/
#
# 101 GLU QB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1548,1549,
igr2=1551,1552,
/
#
# 101 GLU QB 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1548,1549,
/
#
# 101 GLU H 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1551,1552,
/
#
# 101 GLU H 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 101 GLU QB 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1548,1549,
/
#
# 101 GLU H 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QG2 19 PHE QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1=1565,1566,1567,
igr2= 280, 288,
/
#
# 102 ILE QG2 80 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1565,1566,1567,
/
#
# 102 ILE H 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1559, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1243,1252,
/
#
# 102 ILE QD1 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1572,1573,1574,
/
#
# 102 ILE QG1 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1569,1570,
igr2=1243,1252,
/
#
# 102 ILE QG1 81 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1569,1570,
/
#
# 102 ILE QD1 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1572,1573,1574,
igr2=1243,1252,
/
#
# 102 ILE QD1 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1572,1573,1574,
igr2=1245,1250,
/
#
# 102 ILE HB 81 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1563,1240, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 102 ILE HB 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563,1239, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QG2 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE QG2 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1565,1566,1567,
igr2=1243,1252,
/
#
# 102 ILE HB 81 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1563,1239, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 102 ILE QD1 83 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1572,1573,1574,
igr2=1277,1282,
/
#
# 102 ILE QD1 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1572,1573,1574,
igr2=1275,1284,
/
#
# 102 ILE QG2 83 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1565,1566,1567,
igr2=1277,1282,
/
#
# 102 ILE QD1 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1572,1573,1574,
/
#
# 102 ILE H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1559,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HA 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1559,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HA 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1551,1552,
/
#
# 102 ILE HB 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QG2 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE H 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1559, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 102 ILE HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE H 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1559,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 102 ILE H 102 ILE QG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1559, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1569,1570,
/
#
# 102 ILE H 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1559,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QG2 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1565,1566,1567,
igr2=1569,1570,
/
#
# 102 ILE QG2 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE HA 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 102 ILE QG2 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE HB 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 102 ILE HA 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 102 ILE HA 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HA 103 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1583, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QG2 103 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE QG2 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE QG2 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE HA 103 LYS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1561,1582, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 102 ILE HA 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1580, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QG2 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE QG2 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE QG2 117 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1565,1566,1567,
igr2=1780,1781,
/
#
# 103 LYS 1HB 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1223,1224,
/
#
# 103 LYS QG 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS 2HB 80 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1583,1215, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 103 LYS 1HB 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 1HB 80 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1582,1215, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 103 LYS QG 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1585,1586,
igr2=1226,1227,
/
#
# 103 LYS 2HB 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1223,1224,
/
#
# 103 LYS QG 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1585,1586,
igr2=1223,1224,
/
#
# 103 LYS QD 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1588,1589,
igr2=1223,1224,
/
#
# 103 LYS HA 80 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1580,1215, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 103 LYS QG 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS HA 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1223,1224,
/
#
# 103 LYS 1HB 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 2HB 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 1HB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1551,1552,
/
#
# 103 LYS H 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS H 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 2HB 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS H 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 1HB 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS H 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 103 LYS 2HB 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1580, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS QG 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS QG 103 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS 2HB 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 1HB 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS QG 103 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS 1HB 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1580, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS QG 103 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS HA 103 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1588,1589,
/
#
# 103 LYS 1HB 103 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1588,1589,
/
#
# 103 LYS H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1580, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 2HB 103 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1588,1589,
/
#
# 103 LYS 2HB 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1580, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS QG 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS QG 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS 1HB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 2HB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS 1HB 104 MET H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1582,1600, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 103 LYS QG 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS 2HB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS QG 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1585,1586,
/
#
# 103 LYS 1HB 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1582,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS QG 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1585,1586,
igr2=1752,1753,
/
#
# 103 LYS QG 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1585,1586,
igr2=1752,1753,
/
#
# 103 LYS 2HB 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1758,1759,
/
#
# 104 MET HA 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 104 MET QB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1604,1605,
/
#
# 104 MET H 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1201,1209,
/
#
# 104 MET H 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET HA 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 104 MET H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1580, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 103 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1588,1589,
/
#
# 104 MET HA 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET QB 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1604,1605,
/
#
# 104 MET H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1580, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET QB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1604,1605,
/
#
# 104 MET HA 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1604,1605,
/
#
# 104 MET HA 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET HA 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1604,1605,
/
#
# 104 MET HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET HA 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET HA 115 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1731, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET HA 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1752,1753,
/
#
# 104 MET HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 105 ALA QB 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1621,1622,1623,
igr2=1585,1586,
/
#
# 105 ALA QB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA H 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1602, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA QB 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1621,1622,1623,
igr2=1604,1605,
/
#
# 105 ALA QB 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1621,1622,1623,
igr2=1604,1605,
/
#
# 105 ALA QB 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA QB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA QB 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA H 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1602, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1621,1622,1623,
/
#
# 105 ALA H 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA QB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA QB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA H 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1631,1632,1633,
/
#
# 105 ALA QB 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1621,1622,1623,
igr2=1631,1632,1633,
/
#
# 105 ALA QB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA QB 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA QB 107 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1621,1622,1623,
/
#
# 105 ALA H 113 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1703, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 113 SER 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1617,1704, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 105 ALA H 113 SER 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1617,1703, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 105 ALA H 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA QB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1710, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA H 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1714, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA QB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1710, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA H 114 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1617,1714, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 105 ALA QB 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA H 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 105 ALA QB 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1621,1622,1623,
igr2=1716,1717,1718,
/
#
# 105 ALA QB 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1714, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA QB 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1621,1622,1623,
igr2=1720,1721,
/
#
# 105 ALA QB 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1621,1622,1623,
igr2=1723,1724,1725,
/
#
# 105 ALA QB 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1714, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 105 ALA H 115 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1731, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 116 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1755,1756,
/
#
# 105 ALA QB 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1621,1622,1623,
igr2=1758,1759,
/
#
# 106 ALA QB 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1631,1632,1633,
igr2= 209, 210,
/
#
# 106 ALA QB 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1631,1632,1633,
igr2= 206, 207,
/
#
# 106 ALA QB 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1631,1632,1633,
igr2= 206, 207,
/
#
# 106 ALA QB 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1631,1632,1633,
igr2= 209, 210,
/
#
# 106 ALA HA 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629,1627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA QB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1631,1632,1633,
/
#
# 106 ALA HA 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629,1627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA QB 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1631,1632,1633,
igr2=1641,1642,1643,
/
#
# 106 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1631,1632,1633,
/
#
# 106 ALA HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA QB 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1631,1632,1633,
/
#
# 106 ALA QB 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1631,1632,1633,
/
#
# 106 ALA QB 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1631,1632,1633,
igr2=1641,1642,1643,
/
#
# 106 ALA QB 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1631,1632,1633,
/
#
# 106 ALA QB 113 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1631,1632,1633,
/
#
# 106 ALA QB 114 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1710, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1631,1632,1633,
/
#
# 107 ALA H 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA H 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA QB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1639,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA HA 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1648,1649,
/
#
# 107 ALA QB 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1641,1642,1643,
igr2=1651,1652,
/
#
# 107 ALA HA 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1651,1652,
/
#
# 107 ALA QB 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1641,1642,1643,
igr2=1648,1649,
/
#
# 107 ALA HA 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1648,1649,
/
#
# 107 ALA QB 108 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1657, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA H 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1648,1649,
/
#
# 107 ALA QB 109 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 109 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1641,1642,1643,
igr2=1665,1666,
/
#
# 107 ALA QB 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1641,1642,1643,
igr2=1665,1666,
/
#
# 107 ALA QB 111 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1641,1642,1643,
igr2=1687,1688,
/
#
# 107 ALA QB 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1692, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1692, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 112 GLY 2HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1695, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1641,1642,1643,
igr2=1723,1724,1725,
/
#
# 107 ALA QB 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1641,1642,1643,
igr2=1720,1721,
/
#
# 108 PRO HA 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1657, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1651,1652,
/
#
# 108 PRO QG 108 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1651,1652,
igr2=1654,1655,
/
#
# 108 PRO QD 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1648,1649,
igr2=1651,1652,
/
#
# 108 PRO HA 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1657, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1651,1652,
/
#
# 108 PRO QD 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1648,1649,
igr2=1651,1652,
/
#
# 108 PRO QD 108 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1648,1649,
igr2=1654,1655,
/
#
# 108 PRO HA 108 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1657, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1654,1655,
/
#
# 108 PRO QD 108 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1657, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1648,1649,
/
#
# 108 PRO QD 109 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1648,1649,
/
#
# 109 HIS H 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1661, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1651,1652,
/
#
# 109 HIS H 108 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1661,1657, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 109 HIS H 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1661, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1651,1652,
/
#
# 109 HIS H 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1661, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1665,1666,
/
#
# 109 HIS QB 109 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1665,1666,
/
#
# 111 GLY H 108 PRO QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1648,1649,
/
#
# 111 GLY QA 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1687,1688,
igr2=1665,1666,
/
#
# 111 GLY H 110 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1685,1681, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 111 GLY QA 110 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1680, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1687,1688,
/
#
# 111 GLY QA 110 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1681, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1687,1688,
/
#
# 111 GLY H 111 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1687,1688,
/
#
# 111 GLY H 111 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1687,1688,
/
#
# 112 GLY 1HA 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 112 GLY 2HA 12 VAL QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1695, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 166, 167, 168,
/
#
# 112 GLY 1HA 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, 160, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY H 111 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1692, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1687,1688,
/
#
# 112 GLY H 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1692,1685, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY H 111 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1692,1685, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 112 GLY H 111 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1692, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1687,1688,
/
#
# 112 GLY 1HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704, 149, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 1HB 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 113 SER HA 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 113 SER 2HB 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 206, 207,
/
#
# 113 SER 2HB 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 113 SER 1HB 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 15 PRO QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 206, 207,
/
#
# 113 SER 1HB 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 18 LEU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1704, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 257, 258,
/
#
# 113 SER HA 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699,1685, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1695, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1694, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 1HB 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703,1694, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 1HB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 1HB 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 1HB 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 1HB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 1HB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 2HB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER 1HB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1703,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 9 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714, 121, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712, 131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 10 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, 133, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 10 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712, 135, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1604,1605,
/
#
# 114 ILE H 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710,1627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QG1 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1720,1721,
/
#
# 114 ILE QD1 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 114 ILE HB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QG1 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1720,1721,
/
#
# 114 ILE HB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QD1 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 114 ILE H 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710,1639, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1641,1642,1643,
/
#
# 114 ILE H 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1641,1642,1643,
/
#
# 114 ILE HA 107 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1641,1642,1643,
/
#
# 114 ILE QD1 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 114 ILE HA 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1641,1642,1643,
/
#
# 114 ILE QD1 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1723,1724,1725,
igr2=1648,1649,
/
#
# 114 ILE QG1 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1720,1721,
igr2=1648,1649,
/
#
# 114 ILE QD1 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1723,1724,1725,
igr2=1651,1652,
/
#
# 114 ILE HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 113 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1714,1701, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 114 ILE H 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 114 ILE H 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710,1712, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 114 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1714,1712, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 114 ILE H 114 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1710,1712, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 114 ILE HB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 114 ILE HB 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1720,1721,
/
#
# 114 ILE QG2 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1716,1717,1718,
igr2=1723,1724,1725,
/
#
# 114 ILE H 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 114 ILE HB 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 114 ILE HA 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 114 ILE HB 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1720,1721,
/
#
# 114 ILE HB 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1712, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 115 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1712,1729, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 114 ILE HB 115 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1714,1731, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 114 ILE QG2 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1716,1717,1718,
igr2=1752,1753,
/
#
# 114 ILE QG2 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1716,1717,1718,
igr2=1758,1759,
/
#
# 114 ILE QG2 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1716,1717,1718,
/
#
# 114 ILE QG2 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1716,1717,1718,
igr2=1758,1759,
/
#
# 114 ILE QG2 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1716,1717,1718,
igr2=1752,1753,
/
#
# 114 ILE QG2 116 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1716,1717,1718,
igr2=1761,1762,
/
#
# 114 ILE QG2 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1716,1717,1718,
/
#
# 115 LEU HA 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU QQD 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1735, 149, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 115 LEU QQD 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1735, 150, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 115 LEU QB 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=1733,1734,
/
#
# 115 LEU HA 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 115 LEU QB 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=1733,1734,
/
#
# 115 LEU HG 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1736, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 115 LEU QQD 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1735, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=1565,1566,1567,
/
#
# 115 LEU HA 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU H 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1729,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU H 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1729, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 115 LEU QB 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1733,1734,
igr2=1716,1717,1718,
/
#
# 115 LEU QB 114 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1733,1734,
/
#
# 115 LEU H 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1729, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 115 LEU H 115 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1729,1735, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 115 LEU HG 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1736,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU QB 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1733,1734,
/
#
# 115 LEU HA 115 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1731,1729, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 115 LEU HA 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1733,1734,
/
#
# 115 LEU QB 115 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1735, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=1733,1734,
/
#
# 115 LEU HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU H 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1729,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU QQD 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1735,1748, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 115 LEU QB 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1733,1734,
/
#
# 116 LYS QG 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1755,1756,
igr2= 110, 111,
/
#
# 116 LYS QG 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1755,1756,
igr2= 113, 114,
/
#
# 116 LYS QG 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1755,1756,
igr2= 110, 111,
/
#
# 116 LYS QG 8 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1755,1756,
/
#
# 116 LYS QG 9 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 121, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QG 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QB 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1752,1753,
/
#
# 116 LYS QB 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1752,1753,
/
#
# 116 LYS QB 103 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1752,1753,
/
#
# 116 LYS QB 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1752,1753,
/
#
# 116 LYS QG 103 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QG 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1755,1756,
igr2=1723,1724,1725,
/
#
# 116 LYS QG 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1714, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QG 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QG 115 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QG 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QG 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QG 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1755,1756,
igr2=1758,1759,
/
#
# 116 LYS QB 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1752,1753,
igr2=1758,1759,
/
#
# 116 LYS QG 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1755,1756,
igr2=1758,1759,
/
#
# 116 LYS HA 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1752,1753,
/
#
# 116 LYS QG 116 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1755,1756,
igr2=1761,1762,
/
#
# 116 LYS QG 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1755,1756,
igr2=1752,1753,
/
#
# 116 LYS QG 116 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QB 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1752,1753,
/
#
# 116 LYS HA 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1758,1759,
/
#
# 116 LYS QG 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS QB 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1752,1753,
/
#
# 116 LYS HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1770, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS QB 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1752,1753,
/
#
# 116 LYS QG 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1755,1756,
/
#
# 116 LYS HA 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1774, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE QG2 8 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 ILE QG2 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1776,1777,1778,
igr2= 125, 126, 127,
/
#
# 117 ILE QG2 9 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 121, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 ILE QD1 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1783,1784,1785,
igr2=1531,1540,
/
#
# 117 ILE QG2 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1776,1777,1778,
igr2=1531,1540,
/
#
# 117 ILE QG2 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1776,1777,1778,
igr2=1569,1570,
/
#
# 117 ILE HB 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 117 ILE HB 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE HB 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 117 ILE HA 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 117 ILE QG2 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1776,1777,1778,
igr2=1569,1570,
/
#
# 117 ILE HB 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 117 ILE QG2 102 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1561, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 ILE QG1 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1780,1781,
igr2=1569,1570,
/
#
# 117 ILE HA 102 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1569,1570,
/
#
# 117 ILE QD1 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 117 ILE QD1 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 117 ILE HA 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1772,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE H 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1758,1759,
/
#
# 117 ILE H 117 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1780,1781,
/
#
# 117 ILE HB 117 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1780,1781,
/
#
# 117 ILE QG2 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1772, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 ILE QG2 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 ILE QG2 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 ILE HB 117 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 117 ILE HB 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774,1770, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE QG2 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 ILE HA 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1772,1774, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE QG2 117 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1776,1777,1778,
igr2=1780,1781,
/
#
# 117 ILE QG2 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 ILE QG2 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1776,1777,1778,
igr2=2148,2149,2150,
/
#
# 117 ILE QG2 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1776,1777,1778,
igr2=2148,2149,2150,
/
#
# 117 ILE QG2 145 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1776,1777,1778,
igr2=2200,2204,
/
#
# 118 THR QG2 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1795,1796,1797,
igr2= 62, 63,
/
#
# 118 THR QG2 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR QG2 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR QG2 6 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1795,1796,1797,
igr2= 86, 87,
/
#
# 118 THR QG2 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1795,1796,1797,
igr2= 83, 84,
/
#
# 118 THR QG2 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1795,1796,1797,
igr2= 83, 84,
/
#
# 118 THR QG2 6 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1795,1796,1797,
igr2= 86, 87,
/
#
# 118 THR QG2 6 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR HA 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1791, 94, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR H 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HB 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1793,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR H 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1548,1549,
/
#
# 118 THR QG2 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1795,1796,1797,
igr2=1548,1549,
/
#
# 118 THR QG2 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1795,1796,1797,
igr2=1548,1549,
/
#
# 118 THR HB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1793, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1551,1552,
/
#
# 118 THR QG2 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR HB 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1793, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1548,1549,
/
#
# 118 THR HB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1793, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1551,1552,
/
#
# 118 THR HB 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1793,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 118 THR H 102 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 118 THR H 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1774, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1772, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HB 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1793,1772, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1793, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR QG2 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1793, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR HA 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1791,1793, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR HA 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1791,1789, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1793, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR HA 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1791,1793, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR H 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1793, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 119 SER H 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 62, 63,
/
#
# 119 SER H 5 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 62, 63,
/
#
# 119 SER H 6 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 86, 87,
/
#
# 119 SER H 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 83, 84,
/
#
# 119 SER H 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER QB 6 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1807,1808,
/
#
# 119 SER H 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, 94, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 119 SER QB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1807,1808,
igr2=1499,1500,1501,
/
#
# 119 SER HA 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER QB 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1807,1808,
igr2=1776,1777,1778,
/
#
# 119 SER H 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803,1789, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER H 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803,1793, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER H 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803,1791, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER QB 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1807,1808,
igr2=1795,1796,1797,
/
#
# 119 SER HA 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1795,1796,1797,
/
#
# 119 SER QB 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1807,1808,
/
#
# 119 SER H 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803,1791, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER QB 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1807,1808,
/
#
# 119 SER HA 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER HA 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1807,1808,
/
#
# 119 SER HA 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1807,1808,
/
#
# 119 SER QB 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1807,1808,
/
#
# 119 SER H 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 119 SER H 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 120 LYS QD 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 14, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=1824,1825,
/
#
# 120 LYS HA 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 120 LYS QD 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 14, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=1824,1825,
/
#
# 120 LYS 2HB 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1819, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 120 LYS HA 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 3 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816, 31, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 1HB 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1818, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 120 LYS QD 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1824,1825,
/
#
# 120 LYS QD 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1824,1825,
igr2= 51, 52,
/
#
# 120 LYS QD 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1824,1825,
/
#
# 120 LYS 1HB 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1818, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 120 LYS 2HB 4 SER QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 51, 52,
/
#
# 120 LYS QE 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1827,1828,
/
#
# 120 LYS HA 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 120 LYS H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 120 LYS 2HB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 120 LYS QG 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1821,1822,
/
#
# 120 LYS H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS QD 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1824,1825,
/
#
# 120 LYS H 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 120 LYS QD 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1824,1825,
igr2=1516,1517,
/
#
# 120 LYS 2HB 99 SER QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1516,1517,
/
#
# 120 LYS 1HB 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1818, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 120 LYS 1HB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1818,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 2HB 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 120 LYS QD 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1824,1825,
igr2=1516,1517,
/
#
# 120 LYS H 99 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1516,1517,
/
#
# 120 LYS 2HB 99 SER H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1819,1512, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 120 LYS H 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814,1525, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 2HB 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1795,1796,1797,
/
#
# 120 LYS QD 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1824,1825,
igr2=1795,1796,1797,
/
#
# 120 LYS QE 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1827,1828,
igr2=1795,1796,1797,
/
#
# 120 LYS QE 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1827,1828,
igr2=1795,1796,1797,
/
#
# 120 LYS QD 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1824,1825,
igr2=1795,1796,1797,
/
#
# 120 LYS H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS H 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1807,1808,
/
#
# 120 LYS QG 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1821,1822,
/
#
# 120 LYS H 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814,1805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 2HB 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1819,1805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 119 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1816,1805, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 120 LYS H 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814,1805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS QG 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1821,1822,
/
#
# 120 LYS H 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1821,1822,
/
#
# 120 LYS HA 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS QD 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1814, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1824,1825,
/
#
# 120 LYS QD 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1824,1825,
igr2=1827,1828,
/
#
# 120 LYS HA 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1824,1825,
/
#
# 120 LYS QD 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1824,1825,
igr2=1821,1822,
/
#
# 120 LYS QD 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1814, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1824,1825,
/
#
# 120 LYS QE 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1827,1828,
igr2=1821,1822,
/
#
# 120 LYS HA 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1821,1822,
/
#
# 120 LYS QD 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1824,1825,
igr2=1827,1828,
/
#
# 120 LYS HA 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816,1818, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 2HB 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1827,1828,
/
#
# 120 LYS HA 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816,1819, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 1HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1818,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS QD 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1824,1825,
/
#
# 120 LYS 2HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1819,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 121 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1816,1841, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 120 LYS HA 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816,1840, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1814,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 121 TYR H 2 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1836, 13, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR 2HB 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 121 TYR 1HB 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 121 TYR 2HB 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 121 TYR 2HB 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 121 TYR 1HB 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 121 TYR H 4 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, 49, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 121 TYR H 4 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 121 TYR 2HB 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 121 TYR H 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 121 TYR 1HB 5 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1840, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 68, 73,
/
#
# 121 TYR 1HB 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 121 TYR 1HB 95 LEU QQD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1840,1443, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 121 TYR HA 98 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1838, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1499,1500,1501,
/
#
# 121 TYR H 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1816, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1824,1825,
/
#
# 121 TYR H 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1821,1822,
/
#
# 121 TYR H 120 LYS 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1836,1819, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR H 120 LYS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1836,1818, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR HA 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1838, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1846,1851,
/
#
# 121 TYR 2HB 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1846,1851,
/
#
# 121 TYR H 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 121 TYR 2HB 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 121 TYR H 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1841, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1840, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 121 TYR 2HB 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 121 TYR 1HB 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1846,1851,
/
#
# 121 TYR 2HB 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR 1HB 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1840, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR 2HB 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1846,1851,
/
#
# 121 TYR H 121 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1836,1841, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR 2HB 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR 1HB 122 HIS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1840,1857, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR H 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 121 TYR 2HB 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 121 TYR H 123 THR QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1880,1881,1882,
/
#
# 121 TYR 2HB 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 121 TYR 1HB 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 121 TYR 1HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 121 TYR 2HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 122 HIS HA 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859, 14, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 122 HIS H 91 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857,1386, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 122 HIS H 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 122 HIS QB 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1861,1862,
/
#
# 122 HIS H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1460,1461,
/
#
# 122 HIS QB 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1861,1862,
igr2=1460,1461,
/
#
# 122 HIS H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1460,1461,
/
#
# 122 HIS QB 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1861,1862,
igr2=1463,1464,
/
#
# 122 HIS QB 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1861,1862,
igr2=1460,1461,
/
#
# 122 HIS QB 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1861,1862,
igr2=1463,1464,
/
#
# 122 HIS HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS QB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1471, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1861,1862,
/
#
# 122 HIS QB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1471, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1861,1862,
/
#
# 122 HIS H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 122 HIS QB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1861,1862,
/
#
# 122 HIS H 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 122 HIS QB 121 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1838, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1861,1862,
/
#
# 122 HIS QB 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1861,1862,
/
#
# 122 HIS HA 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS QB 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1861,1862,
/
#
# 122 HIS HA 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1861,1862,
/
#
# 122 HIS H 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857,1876, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 123 THR H 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 14, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1880,1881,1882,
/
#
# 123 THR H 2 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1874, 13, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 123 THR QG2 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1880,1881,1882,
igr2= 35, 43,
/
#
# 123 THR QG2 91 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1880,1881,1882,
/
#
# 123 THR QG2 95 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1880,1881,1882,
igr2=1441,1442,
/
#
# 123 THR HA 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1876,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1880,1881,1882,
/
#
# 123 THR QG2 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR QG2 95 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1880,1881,1882,
igr2=1441,1442,
/
#
# 123 THR HA 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1876,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 123 THR H 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1456, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR QG2 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR H 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1880,1881,1882,
igr2=1844,1853,
/
#
# 123 THR H 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1840, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1838, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR H 122 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1859, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1876, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 123 THR QG2 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1876, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR H 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1880,1881,1882,
/
#
# 123 THR QG2 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1878, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR H 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1888, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1890, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1888, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR QG2 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1888, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR HA 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1895,1896,
/
#
# 123 THR H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 123 THR QG2 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1880,1881,1882,
igr2=1935,1936,1937,
/
#
# 123 THR QG2 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1880,1881,1882,
igr2=1945,1946,
/
#
# 123 THR QG2 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1943, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR QG2 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1880,1881,1882,
igr2=1945,1946,
/
#
# 123 THR QG2 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR H 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 123 THR QG2 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1880,1881,1882,
igr2=1965,1966,1967,
/
#
# 123 THR QG2 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1880,1881,1882,
igr2=1965,1966,1967,
/
#
# 123 THR QG2 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1880,1881,1882,
igr2=1958,1959,1960,
/
#
# 123 THR QG2 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1956, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 124 LYS QD 93 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1898,1899,
/
#
# 124 LYS H 94 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1425, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS QG 94 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1895,1896,
/
#
# 124 LYS H 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1439, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS QG 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1895,1896,
/
#
# 124 LYS QE 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1901,1902,
/
#
# 124 LYS H 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS H 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1876, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS H 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1895,1896,
/
#
# 124 LYS H 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1901,1902,
/
#
# 124 LYS QE 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1901,1902,
igr2=1898,1899,
/
#
# 124 LYS QE 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1901,1902,
igr2=1892,1893,
/
#
# 124 LYS HA 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1890, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1892,1893,
/
#
# 124 LYS H 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1892,1893,
/
#
# 124 LYS QG 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1895,1896,
igr2=1892,1893,
/
#
# 124 LYS QG 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1895,1896,
igr2=1892,1893,
/
#
# 124 LYS QG 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1895,1896,
igr2=1901,1902,
/
#
# 124 LYS HA 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1890, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1898,1899,
/
#
# 124 LYS H 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1895,1896,
/
#
# 124 LYS H 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1898,1899,
/
#
# 124 LYS H 125 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1910, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 124 LYS H 127 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1931, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 125 GLY H 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1910,1890, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 126 ASN 1HD2 126 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1926,1927, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 126 ASN 1HD2 126 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1926,1927, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 126 ASN 2HD2 126 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1927,1919, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA QB 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1935,1936,1937,
/
#
# 127 ALA QB 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1935,1936,1937,
igr2=1429,1430,1431,
/
#
# 127 ALA QB 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1935,1936,1937,
igr2=1429,1430,1431,
/
#
# 127 ALA QB 95 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1935,1936,1937,
/
#
# 127 ALA QB 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1935,1936,1937,
/
#
# 127 ALA QB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1935,1936,1937,
/
#
# 127 ALA QB 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1935,1936,1937,
/
#
# 127 ALA QB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1935,1936,1937,
/
#
# 127 ALA QB 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1878, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1935,1936,1937,
/
#
# 127 ALA H 126 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931,1922, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA H 126 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931,1921, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA H 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931,1933, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 127 ALA H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 127 ALA QB 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1933, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1935,1936,1937,
/
#
# 127 ALA H 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931,1941, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA QB 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1935,1936,1937,
/
#
# 127 ALA H 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931,1941, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA HA 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1933,1941, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA HA 128 SER QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1945,1946,
/
#
# 127 ALA QB 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1935,1936,1937,
/
#
# 127 ALA HA 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1933,1941, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 128 SER H 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1941, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1945,1946,
/
#
# 128 SER H 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1941, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1945,1946,
/
#
# 128 SER HA 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1943, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1945,1946,
/
#
# 128 SER HA 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1943,1952, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 128 SER HA 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1943, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 128 SER HA 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1943,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 129 ILE HB 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 129 ILE QG2 3 PHE QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1=1958,1959,1960,
igr2= 35, 43,
/
#
# 129 ILE HB 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 129 ILE QD1 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1965,1966,1967,
/
#
# 129 ILE QD1 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE QD1 95 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1965,1966,1967,
igr2=1441,1442,
/
#
# 129 ILE QD1 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE QD1 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE QG1 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1962,1963,
igr2=1846,1851,
/
#
# 129 ILE QG2 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1958,1959,1960,
igr2=1844,1853,
/
#
# 129 ILE QD1 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE QD1 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1888, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 129 ILE QD1 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1965,1966,1967,
igr2=1935,1936,1937,
/
#
# 129 ILE H 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1941, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1945,1946,
/
#
# 129 ILE HA 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954,1941, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1945,1946,
/
#
# 129 ILE HA 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954,1952, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 129 ILE H 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1958,1959,1960,
/
#
# 129 ILE QG1 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1962,1963,
/
#
# 129 ILE QD1 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1965,1966,1967,
igr2=1958,1959,1960,
/
#
# 129 ILE HA 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 129 ILE HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 129 ILE HB 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1958,1959,1960,
/
#
# 129 ILE HA 129 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1954, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1958,1959,1960,
/
#
# 129 ILE HB 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1958,1959,1960,
/
#
# 129 ILE HA 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 129 ILE HA 129 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1954, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1965,1966,1967,
/
#
# 129 ILE HA 129 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1954,1952, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 129 ILE HA 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HA 130 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954,1976, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QG2 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1958,1959,1960,
/
#
# 129 ILE HA 133 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2016,2017,
/
#
# 129 ILE QG2 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1958,1959,1960,
/
#
# 129 ILE QD1 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE QG2 134 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1958,1959,1960,
/
#
# 129 ILE HB 134 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1956, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2040,2041,2042,
/
#
# 129 ILE QG2 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1958,1959,1960,
/
#
# 129 ILE QG2 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1958,1959,1960,
igr2=2033,2034,2035,
/
#
# 129 ILE QD1 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1965,1966,1967,
igr2=2040,2041,2042,
/
#
# 129 ILE QG2 134 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.37, r4= 9.87,
igr1=1958,1959,1960,
igr2=2040,2041,2042,
/
#
# 130 SER H 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1952, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1952, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1958,1959,1960,
/
#
# 130 SER H 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1954, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 130 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1976, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 130 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1973, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 130 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1975, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER HA 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1973,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER 1HB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1975,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER HA 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1973,1997, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER 2HB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1976,1997, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER 1HB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1975,1997, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 133 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2016,2017,
/
#
# 130 SER HA 133 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1973,2012, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 133 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,2012, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER 2HB 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2019,2020,
/
#
# 130 SER H 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1971,2038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER HA 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1973,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER H 134 ILE 2HG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1971,2038, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 130 SER H 134 ILE 1HG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1971,2037, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 131 GLU HA 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 68, 73,
/
#
# 131 GLU H 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU H 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1989,1990,
/
#
# 131 GLU QG 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1989,1990,
/
#
# 131 GLU H 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1989,1990,
/
#
# 131 GLU H 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU QG 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1989,1990,
/
#
# 131 GLU H 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1997, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU H 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1997, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU H 132 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2001,2002,
/
#
# 131 GLU H 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2004,2005,
/
#
# 131 GLU H 133 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,2012, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU HA 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2059,2060,
/
#
# 131 GLU HA 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2053,2054,
/
#
# 131 GLU QG 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1989,1990,
igr2=2053,2054,
/
#
# 131 GLU QG 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1989,1990,
igr2=2056,2057,
/
#
# 131 GLU QG 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1989,1990,
igr2=2059,2060,
/
#
# 131 GLU QG 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1989,1990,
igr2=2056,2057,
/
#
# 131 GLU HA 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2053,2054,
/
#
# 131 GLU QG 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1989,1990,
igr2=2053,2054,
/
#
# 131 GLU QG 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1989,1990,
igr2=2059,2060,
/
#
# 132 GLU H 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1989,1990,
/
#
# 132 GLU HA 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1989,1990,
/
#
# 132 GLU H 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1989,1990,
/
#
# 132 GLU HA 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1989,1990,
/
#
# 132 GLU H 132 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2001,2002,
/
#
# 132 GLU QB 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2001,2002,
igr2=2004,2005,
/
#
# 132 GLU H 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2004,2005,
/
#
# 132 GLU H 132 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1997,1999, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 132 GLU HA 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2004,2005,
/
#
# 132 GLU HA 132 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2001,2002,
/
#
# 132 GLU QB 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2001,2002,
igr2=2019,2020,
/
#
# 132 GLU H 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2056,2057,
/
#
# 132 GLU H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU HA 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2056,2057,
/
#
# 132 GLU HA 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 132 GLU HA 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2059,2060,
/
#
# 132 GLU HA 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 132 GLU QB 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2001,2002,
igr2=2056,2057,
/
#
# 132 GLU HA 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU HA 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2056,2057,
/
#
# 132 GLU HA 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2053,2054,
/
#
# 133 GLU QB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2016,2017,
igr2=1965,1966,1967,
/
#
# 133 GLU H 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012,1997, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012,1997, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 132 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2001,2002,
/
#
# 133 GLU H 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012,1999, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2004,2005,
/
#
# 133 GLU HA 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014,1999, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU HA 132 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2001,2002,
/
#
# 133 GLU QB 133 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2012, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU H 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012,2014, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2016,2017,
igr2=2019,2020,
/
#
# 133 GLU H 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2019,2020,
/
#
# 133 GLU HA 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2019,2020,
/
#
# 133 GLU QB 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2016,2017,
igr2=2019,2020,
/
#
# 133 GLU QB 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2014, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU QB 133 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2012, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU H 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012,2014, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU HA 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2019,2020,
/
#
# 133 GLU QB 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2014, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU H 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012,2029, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU HA 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU QB 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU QB 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU QB 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU QB 134 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2016,2017,
/
#
# 133 GLU HA 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU HA 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2016,2017,
igr2=2072,2073,2074,
/
#
# 133 GLU QB 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2016,2017,
igr2=2072,2073,2074,
/
#
# 133 GLU H 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2072,2073,2074,
/
#
# 133 GLU HA 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2072,2073,2074,
/
#
# 133 GLU HA 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2072,2073,2074,
/
#
# 134 ILE 1HG1 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 68, 73,
/
#
# 134 ILE 1HG1 5 TYR QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 66, 75,
/
#
# 134 ILE QD1 5 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2040,2041,2042,
igr2= 68, 73,
/
#
# 134 ILE QG2 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2033,2034,2035,
igr2= 66, 75,
/
#
# 134 ILE QD1 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2040,2041,2042,
igr2=1499,1500,1501,
/
#
# 134 ILE 1HG1 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1846,1851,
/
#
# 134 ILE 2HG1 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1844,1853,
/
#
# 134 ILE QD1 121 TYR QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1=2040,2041,2042,
igr2=1844,1853,
/
#
# 134 ILE 1HG1 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QD1 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 134 ILE 1HG1 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2033,2034,2035,
/
#
# 134 ILE 2HG1 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 2HG1 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 1HG1 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QD1 131 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2040,2041,2042,
/
#
# 134 ILE 1HG1 133 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2012, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QD1 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 134 ILE HB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 134 ILE HA 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QD1 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 134 ILE HA 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 134 ILE QD1 134 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2040,2041,2042,
/
#
# 134 ILE 1HG1 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 2HG1 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 134 ILE H 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 134 ILE 2HG1 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QD1 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 134 ILE 1HG1 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 1HG1 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 2HG1 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 134 ILE QD1 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2040,2041,2042,
igr2=2033,2034,2035,
/
#
# 134 ILE 2HG1 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 1HG1 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2029, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HA 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 134 ILE HA 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 1HG1 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 134 ILE HB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HA 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 134 ILE HA 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HA 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 134 ILE HA 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 1HG1 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 134 ILE 2HG1 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 134 ILE 2HG1 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 134 ILE QD1 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2040,2041,2042,
igr2=2033,2034,2035,
/
#
# 134 ILE 1HG1 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 134 ILE HA 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QD1 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 134 ILE 2HG1 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2038,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2053,2054,
/
#
# 134 ILE H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 1HG1 135 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2037,2046, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 134 ILE 2HG1 135 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2038,2046, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 134 ILE HB 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 134 ILE QG2 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2033,2034,2035,
igr2=2053,2054,
/
#
# 134 ILE HB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1989,1990,
/
#
# 135 LYS H 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1989,1990,
/
#
# 135 LYS H 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS QD 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2056,2057,
igr2=2004,2005,
/
#
# 135 LYS H 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 135 LYS QB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2050,2051,
/
#
# 135 LYS HA 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 135 LYS HA 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS HA 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 135 LYS HA 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 135 LYS QB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2050,2051,
/
#
# 135 LYS H 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2056,2057,
/
#
# 135 LYS H 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2059,2060,
/
#
# 135 LYS H 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2053,2054,
/
#
# 135 LYS QD 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2056,2057,
igr2=2053,2054,
/
#
# 135 LYS QB 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2050,2051,
igr2=2053,2054,
/
#
# 135 LYS H 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2056,2057,
/
#
# 135 LYS QE 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2059,2060,
igr2=2053,2054,
/
#
# 135 LYS QD 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2056,2057,
igr2=2059,2060,
/
#
# 135 LYS QB 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2050,2051,
igr2=2059,2060,
/
#
# 135 LYS H 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2059,2060,
/
#
# 135 LYS HA 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS QB 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2050,2051,
igr2=2059,2060,
/
#
# 135 LYS HA 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 135 LYS QB 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2050,2051,
igr2=2056,2057,
/
#
# 135 LYS HA 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2056,2057,
/
#
# 135 LYS QD 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2056,2057,
igr2=2059,2060,
/
#
# 135 LYS HA 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2056,2057,
/
#
# 135 LYS H 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2053,2054,
/
#
# 135 LYS QD 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2056,2057,
igr2=2053,2054,
/
#
# 135 LYS QB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2050,2051,
/
#
# 135 LYS HA 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 135 LYS HA 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2059,2060,
/
#
# 135 LYS QB 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2050,2051,
igr2=2053,2054,
/
#
# 135 LYS QE 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2059,2060,
igr2=2053,2054,
/
#
# 135 LYS QB 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2050,2051,
igr2=2056,2057,
/
#
# 135 LYS HA 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048,2068, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS HA 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048,2070, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS HA 136 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2048,2070, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 135 LYS HA 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 135 LYS HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 135 LYS HA 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2092,2093,
/
#
# 135 LYS HA 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048,2085, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS HA 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2092,2093,
/
#
# 136 ALA QB 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2019,2020,
/
#
# 136 ALA QB 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2019,2020,
/
#
# 136 ALA H 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2068,2027, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA QB 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA H 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 136 ALA QB 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2050,2051,
/
#
# 136 ALA QB 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2048, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA HA 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 136 ALA HA 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 136 ALA H 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 136 ALA HA 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070,2068, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA QB 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2070, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2070, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA HA 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070,2068, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA QB 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2080,2081,
/
#
# 136 ALA QB 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2080,2081,
/
#
# 136 ALA QB 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA HA 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA HA 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2080,2081,
/
#
# 136 ALA HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 136 ALA QB 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2111,2112,
/
#
# 136 ALA QB 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2111,2112,
/
#
# 136 ALA QB 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2135,2136,
/
#
# 136 ALA QB 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2133, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2133, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 140 LYS 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA HA 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2129,2130,
/
#
# 136 ALA QB 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2135,2136,
/
#
# 136 ALA HA 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2129,2130,
/
#
# 136 ALA HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2070,2122, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA QB 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2072,2073,2074,
igr2=2129,2130,
/
#
# 136 ALA QB 140 LYS 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 136 ALA QB 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2122, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2072,2073,2074,
/
#
# 137 GLY H 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2029, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 137 GLY H 134 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2078,2029, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 137 GLY QA 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2080,2081,
/
#
# 137 GLY H 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2080,2081,
/
#
# 137 GLY H 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2080,2081,
/
#
# 137 GLY H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 137 GLY QA 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2080,2081,
igr2=2129,2130,
/
#
# 137 GLY QA 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2080,2081,
igr2=2129,2130,
/
#
# 137 GLY QA 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2133, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2080,2081,
/
#
# 137 GLY QA 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2080,2081,
igr2=2126,2127,
/
#
# 137 GLY QA 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2080,2081,
/
#
# 138 LYS QD 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2095,2096,
igr2=2033,2034,2035,
/
#
# 138 LYS QB 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2089,2090,
/
#
# 138 LYS QB 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2089,2090,
igr2=2033,2034,2035,
/
#
# 138 LYS QB 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2089,2090,
igr2=2050,2051,
/
#
# 138 LYS QD 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2095,2096,
igr2=2053,2054,
/
#
# 138 LYS HA 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS H 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2080,2081,
/
#
# 138 LYS H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 138 LYS HA 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087,2085, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS H 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2095,2096,
/
#
# 138 LYS HA 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2095,2096,
/
#
# 138 LYS HA 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2092,2093,
/
#
# 138 LYS QE 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2098,2099,
igr2=2092,2093,
/
#
# 138 LYS HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 138 LYS QD 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2095,2096,
igr2=2098,2099,
/
#
# 138 LYS QD 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2095,2096,
igr2=2092,2093,
/
#
# 138 LYS HA 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087,2085, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS QB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2089,2090,
igr2=2098,2099,
/
#
# 138 LYS QB 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2089,2090,
igr2=2095,2096,
/
#
# 138 LYS QB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2089,2090,
igr2=2098,2099,
/
#
# 138 LYS HA 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2098,2099,
/
#
# 138 LYS QE 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2098,2099,
igr2=2092,2093,
/
#
# 138 LYS QB 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2089,2090,
igr2=2092,2093,
/
#
# 138 LYS HA 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2092,2093,
/
#
# 138 LYS H 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2092,2093,
/
#
# 138 LYS QB 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2089,2090,
igr2=2092,2093,
/
#
# 138 LYS H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 138 LYS HA 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087,2144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS QB 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2089,2090,
/
#
# 138 LYS HA 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS HA 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 138 LYS HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 139 GLU H 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2048, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2046, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU 2HG 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2115, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 139 GLU 2HG 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2115,2048, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU 1HG 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2050,2051,
/
#
# 139 GLU H 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2068, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2072,2073,2074,
/
#
# 139 GLU H 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2070, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU QB 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2111,2112,
/
#
# 139 GLU H 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2072,2073,2074,
/
#
# 139 GLU QB 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2070, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2111,2112,
/
#
# 139 GLU QB 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2070, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2111,2112,
/
#
# 139 GLU H 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2085, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 139 GLU H 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2085, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU QB 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2085, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2111,2112,
/
#
# 139 GLU 1HG 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 139 GLU 2HG 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2115, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 139 GLU HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 139 GLU 2HG 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2115, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2092,2093,
/
#
# 139 GLU 1HG 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2092,2093,
/
#
# 139 GLU H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 139 GLU H 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2111,2112,
/
#
# 139 GLU H 139 GLU 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2114, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2109, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2109, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU QB 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2109, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2111,2112,
/
#
# 139 GLU 1HG 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114,2109, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU 2HG 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2115, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2111,2112,
/
#
# 139 GLU H 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2111,2112,
/
#
# 139 GLU QB 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2109, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2111,2112,
/
#
# 139 GLU 2HG 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2115,2109, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU 1HG 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2111,2112,
/
#
# 139 GLU HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109,2122, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2122, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU 1HG 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114,2122, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109,2122, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU QB 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2111,2112,
igr2=2129,2130,
/
#
# 139 GLU QB 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2124, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2111,2112,
/
#
# 139 GLU QB 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2111,2112,
igr2=2129,2130,
/
#
# 139 GLU HA 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109,2144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2148,2149,2150,
/
#
# 139 GLU HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 139 GLU QB 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2111,2112,
igr2=2158,2159,2160,
/
#
# 139 GLU 2HG 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2115, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 139 GLU H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 139 GLU HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 139 GLU HA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2080,2081,
/
#
# 140 LYS H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2089,2090,
/
#
# 140 LYS H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 140 LYS H 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2129,2130,
/
#
# 140 LYS QG 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2129,2130,
igr2=2135,2136,
/
#
# 140 LYS H 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2129,2130,
/
#
# 140 LYS HA 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2129,2130,
/
#
# 140 LYS QB 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2133, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2126,2127,
/
#
# 140 LYS H 140 LYS 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2133, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2135,2136,
/
#
# 140 LYS HA 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2133, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 140 LYS HA 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2129,2130,
/
#
# 140 LYS HA 140 LYS 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 140 LYS HA 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2133, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2122, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS QG 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2133, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2129,2130,
/
#
# 140 LYS 2HD 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2133, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2135,2136,
/
#
# 140 LYS 1HD 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2135,2136,
/
#
# 140 LYS QB 140 LYS 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2133, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2126,2127,
/
#
# 140 LYS QB 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2126,2127,
igr2=2135,2136,
/
#
# 140 LYS 2HD 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2133, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2135,2136,
/
#
# 140 LYS QG 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2129,2130,
igr2=2126,2127,
/
#
# 140 LYS QG 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2129,2130,
igr2=2126,2127,
/
#
# 140 LYS QG 140 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2129,2130,
igr2=2135,2136,
/
#
# 140 LYS H 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS QB 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2146, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2126,2127,
/
#
# 140 LYS QB 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2146, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2126,2127,
/
#
# 140 LYS HA 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA QB 117 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2148,2149,2150,
igr2=1783,1784,1785,
/
#
# 141 ALA QB 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2148,2149,2150,
igr2=2080,2081,
/
#
# 141 ALA QB 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2148,2149,2150,
igr2=2092,2093,
/
#
# 141 ALA QB 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2148,2149,2150,
igr2=2089,2090,
/
#
# 141 ALA QB 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2085, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2109, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2109, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 141 ALA QB 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2148,2149,2150,
igr2=2126,2127,
/
#
# 141 ALA H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 141 ALA QB 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2148,2149,2150,
igr2=2126,2127,
/
#
# 141 ALA QB 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2146, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2146, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA H 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA QB 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2148,2149,2150,
igr2=2158,2159,2160,
/
#
# 141 ALA QB 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2148,2149,2150,
igr2=2158,2159,2160,
/
#
# 141 ALA QB 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2177, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2177, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2176, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2175, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 141 ALA QB 145 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2148,2149,2150,
igr2=2200,2204,
/
#
# 141 ALA QB 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2148,2149,2150,
igr2=2198,2206,
/
#
# 142 ALA QB 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2158,2159,2160,
igr2=2092,2093,
/
#
# 142 ALA QB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2158,2159,2160,
igr2=2098,2099,
/
#
# 142 ALA QB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2158,2159,2160,
igr2=2098,2099,
/
#
# 142 ALA H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 142 ALA H 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA HA 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2148,2149,2150,
/
#
# 142 ALA HA 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2148,2149,2150,
/
#
# 142 ALA H 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA HA 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA QB 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2158,2159,2160,
/
#
# 142 ALA HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 142 ALA HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 142 ALA H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 142 ALA HA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA HA 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA HA 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA QB 145 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2158,2159,2160,
igr2=2200,2204,
/
#
# 142 ALA QB 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2158,2159,2160,
igr2=2198,2206,
/
#
# 142 ALA HA 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2217,2218,
/
#
# 142 ALA HA 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2217,2218,
/
#
# 143 GLY H 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2129,2130,
/
#
# 143 GLY H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 143 GLY QA 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2124, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2166,2167,
/
#
# 143 GLY H 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2144, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY QA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2166,2167,
igr2=2158,2159,2160,
/
#
# 143 GLY QA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2166,2167,
igr2=2158,2159,2160,
/
#
# 143 GLY QA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2164, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2166,2167,
/
#
# 143 GLY QA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2164, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2166,2167,
/
#
# 143 GLY QA 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2178, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2166,2167,
/
#
# 143 GLY QA 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2173, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2166,2167,
/
#
# 143 GLY QA 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2166,2167,
igr2=2220,2221,
/
#
# 144 LEU QQD 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2126,2127,
/
#
# 144 LEU HG 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2178, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2126,2127,
/
#
# 144 LEU H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2124, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU QQD 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2126,2127,
/
#
# 144 LEU QQD 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177,2144, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU 1HB 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2175,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HG 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2178,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU QQD 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177,2146, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU HG 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2178,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2148,2149,2150,
/
#
# 144 LEU H 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 2HB 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2176,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 1HB 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2175,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 144 LEU H 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 1HB 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2175,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 144 LEU 1HB 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2175,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 1HB 143 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2175,2164, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 144 LEU 2HB 143 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2176,2164, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 144 LEU H 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2166,2167,
/
#
# 144 LEU H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2173, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2177, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU H 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2175, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2173,2178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2173,2176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2173,2177, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU HA 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2173,2178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2173,2175, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 1HB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2175,2178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU QQD 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177,2175, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU HA 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2173,2177, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU H 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2175, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU QQD 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177,2175, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU H 145 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2194,2195,
/
#
# 144 LEU H 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2171,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU QQD 145 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2200,2204,
/
#
# 145 PHE H 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2190, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2148,2149,2150,
/
#
# 145 PHE H 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2190, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2148,2149,2150,
/
#
# 145 PHE H 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2190,2146, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2194,2195,
igr2=2158,2159,2160,
/
#
# 145 PHE H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2190, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 145 PHE QB 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2194,2195,
/
#
# 145 PHE H 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2190,2176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2190,2175, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QE 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2200,2204,
igr2=2198,2206,
/
#
# 145 PHE QE 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2200,2204,
igr2=2198,2206,
/
#
# 145 PHE HA 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2198,2206,
/
#
# 145 PHE QB 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2194,2195,
igr2=2198,2206,
/
#
# 145 PHE HA 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2190, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2194,2195,
/
#
# 145 PHE HA 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2198,2206,
/
#
# 145 PHE HA 145 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2200,2204,
/
#
# 145 PHE QB 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2194,2195,
igr2=2198,2206,
/
#
# 145 PHE HA 145 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2194,2195,
/
#
# 145 PHE HA 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2190, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2194,2195,
/
#
# 145 PHE QB 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2194,2195,
igr2=2217,2218,
/
#
# 146 LYS H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS QE 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2223,2224,
/
#
# 146 LYS QD 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2220,2221,
igr2=2158,2159,2160,
/
#
# 146 LYS QG 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2217,2218,
igr2=2158,2159,2160,
/
#
# 146 LYS QG 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2217,2218,
igr2=2158,2159,2160,
/
#
# 146 LYS H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 146 LYS QE 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2223,2224,
igr2=2158,2159,2160,
/
#
# 146 LYS QD 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2220,2221,
igr2=2158,2159,2160,
/
#
# 146 LYS H 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2166,2167,
/
#
# 146 LYS QB 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2214,2215,
igr2=2166,2167,
/
#
# 146 LYS QG 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2217,2218,
igr2=2166,2167,
/
#
# 146 LYS QB 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2214,2215,
igr2=2166,2167,
/
#
# 146 LYS H 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2166,2167,
/
#
# 146 LYS H 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2173, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2173, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 145 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2194,2195,
/
#
# 146 LYS H 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2217,2218,
/
#
# 146 LYS H 146 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2223,2224,
/
#
# 146 LYS HA 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212,2210, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2214,2215,
/
#
# 146 LYS HA 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212,2210, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2220,2221,
/
#
# 146 LYS QB 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2214,2215,
igr2=2220,2221,
/
#
# 146 LYS HA 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2220,2221,
/
#
# 146 LYS QE 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2223,2224,
igr2=2214,2215,
/
#
# 146 LYS QB 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2214,2215,
igr2=2220,2221,
/
#
# 146 LYS QE 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2223,2224,
igr2=2220,2221,
/
#
# 146 LYS QG 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2217,2218,
igr2=2214,2215,
/
#
# 146 LYS H 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2214,2215,
/
#
# 146 LYS HA 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2214,2215,
/
#
# 146 LYS QE 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2223,2224,
igr2=2214,2215,
/
#
# 146 LYS QG 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2217,2218,
igr2=2220,2221,
/
#
# 146 LYS H 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2217,2218,
/
#
# 146 LYS HA 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2217,2218,
/
#
# 146 LYS QE 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2223,2224,
igr2=2217,2218,
/
#
# 146 LYS QE 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2223,2224,
igr2=2217,2218,
/
#
# 146 LYS QG 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2217,2218,
igr2=2214,2215,
/
#
# 146 LYS QE 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2223,2224,
igr2=2220,2221,
/
#
# 146 LYS HA 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212,2232, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS HA 147 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2212,2234, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 146 LYS HA 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212,2258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS HA 149 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212,2262, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS HA 149 GLU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212,2263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2273, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2214,2215,
/
#
# 146 LYS HA 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2277,2278,2279,
/
#
# 147 ALA QB 33 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2236,2237,2238,
igr2= 508, 509, 510,
/
#
# 147 ALA QB 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2236,2237,2238,
igr2= 522, 523, 524,
/
#
# 147 ALA QB 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2236,2237,2238,
igr2= 522, 523, 524,
/
#
# 147 ALA QB 34 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2236,2237,2238,
igr2=2166,2167,
/
#
# 147 ALA QB 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2236,2237,2238,
igr2=2166,2167,
/
#
# 147 ALA H 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2177, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 147 ALA HA 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234,2173, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA QB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2178, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2173, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2178, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2177, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2236,2237,2238,
/
#
# 147 ALA H 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2177, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 147 ALA QB 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2175, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2173, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA QB 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2173, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2177, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2236,2237,2238,
/
#
# 147 ALA H 145 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2194,2195,
/
#
# 147 ALA QB 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2190, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA H 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2210, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA H 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2220,2221,
/
#
# 147 ALA HA 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234,2210, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA H 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2214,2215,
/
#
# 147 ALA HA 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2214,2215,
/
#
# 147 ALA HA 146 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2214,2215,
/
#
# 147 ALA QB 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2236,2237,2238,
igr2=2214,2215,
/
#
# 147 ALA QB 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA HA 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234,2232, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2232, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2234, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2232, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA HA 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234,2232, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA QB 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2234, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2273, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 147 ALA QB 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2236,2237,2238,
igr2=2287,2288,
/
#
# 148 VAL QQG 21 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245, 318, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 21 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245, 319, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 22 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 333, 341,
/
#
# 148 VAL HA 29 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, 435, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246, 434, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245, 449, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL HA 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, 505, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL HB 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246, 505, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2177, r1= 1.35, r2= 1.85, r3=10.40, r4=10.90, /
#
# 148 VAL QQG 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2176, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2175, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL H 145 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2194,2195,
/
#
# 148 VAL H 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2192, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 145 PHE QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2198,2206,
/
#
# 148 VAL H 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2192, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QQG 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2192, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL HB 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246,2192, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2210, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2232, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246,2232, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QQG 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2232, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL H 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2232, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 148 VAL H 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 148 VAL HB 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 148 VAL HA 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 148 VAL HA 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246,2232, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QQG 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=2236,2237,2238,
/
#
# 148 VAL HB 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 148 VAL HA 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 148 VAL H 148 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2245, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2246, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QQG 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2244, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2258, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL HA 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246,2260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2246,2258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HA 149 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2244,2258, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 148 VAL HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2277,2278,2279,
/
#
# 148 VAL QQG 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2283, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL HA 151 TYR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2244,2283, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 148 VAL HA 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2287,2288,
/
#
# 148 VAL HA 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2287,2288,
/
#
# 148 VAL HA 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2304, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QQG 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2304, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2311, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2309, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 148 VAL QQG 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2245,2308, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 149 GLU 1HB 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 149 GLU 2HB 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2263, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 149 GLU 1HB 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 149 GLU QG 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2265,2266,
igr2= 162, 163, 164,
/
#
# 149 GLU 1HB 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 149 GLU HA 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 149 GLU 2HB 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2263, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 149 GLU QG 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2192, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2265,2266,
/
#
# 149 GLU QG 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2265,2266,
/
#
# 149 GLU H 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2232, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 149 GLU QG 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2265,2266,
/
#
# 149 GLU QG 148 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2245, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=2265,2266,
/
#
# 149 GLU H 149 GLU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 149 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2262, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU QG 149 GLU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2263, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2265,2266,
/
#
# 149 GLU QG 149 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2262, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2265,2266,
/
#
# 149 GLU QG 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2265,2266,
/
#
# 149 GLU H 149 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2262, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU QG 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2258, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2265,2266,
/
#
# 149 GLU HA 149 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2262, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 149 GLU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2258, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 149 GLU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU QG 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2273, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2265,2266,
/
#
# 149 GLU HA 150 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2260,2273, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 149 GLU 2HB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2263,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU 1HB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2262,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2277,2278,2279,
/
#
# 149 GLU H 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2287,2288,
/
#
# 149 GLU H 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2304, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2304, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 152 LEU 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2260,2308, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 149 GLU HA 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2311, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 152 LEU 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2260,2309, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 149 GLU HA 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2323, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU 1HB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2262,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU 2HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2263,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 149 GLU 1HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2262,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 149 GLU 2HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2263,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 149 GLU 1HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2262,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 149 GLU HA 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 149 GLU HA 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU 2HB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2263,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2277,2278,2279,
igr2=2214,2215,
/
#
# 150 ALA QB 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2277,2278,2279,
igr2=2214,2215,
/
#
# 150 ALA QB 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2234, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2232, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA H 149 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2262, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 149 GLU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2263, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA H 149 GLU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA H 149 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2262, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2273, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA H 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2275, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2273, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA H 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2275, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2277,2278,2279,
igr2=2287,2288,
/
#
# 150 ALA QB 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA H 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA H 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA H 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 150 ALA QB 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2327, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2329, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2323, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2328, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2329, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2342, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2277,2278,2279,
/
#
# 150 ALA QB 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2277,2278,2279,
igr2=2346,2347,2348,
/
#
# 151 TYR H 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2283,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR H 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2283,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR H 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2283, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2291,2300,
/
#
# 151 TYR HA 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 151 TYR QB 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 151 TYR HA 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR HA 151 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2293,2298,
/
#
# 151 TYR HA 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2291,2300,
/
#
# 151 TYR QB 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 151 TYR QB 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2287,2288,
igr2=2291,2300,
/
#
# 151 TYR QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 151 TYR QB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 151 TYR QB 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2311, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 151 TYR QB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 151 TYR QB 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2323, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 151 TYR QD 155 HIS HE1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2362, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2291,2300,
/
#
# 151 TYR HA 155 HIS HE1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2285,2362, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 151 TYR QB 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2352, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2287,2288,
/
#
# 152 LEU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2291,2300,
/
#
# 152 LEU H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HG 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2291,2300,
/
#
# 152 LEU H 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2306, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 152 LEU 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2306,2308, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 152 LEU HA 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2306,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2306,2311, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2308,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 1HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2308,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 2HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2309,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU H 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2342, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2342, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2306, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 153 LEU QQD 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 162, 163, 164,
/
#
# 153 LEU QQD 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 162, 163, 164,
/
#
# 153 LEU QQD 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 166, 167, 168,
/
#
# 153 LEU QQD 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 166, 167, 168,
/
#
# 153 LEU H 149 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2262, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QQD 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329,2275, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU 2HB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2328,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2328,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QQD 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329,2275, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU 1HB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2275, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2304, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2304, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2306, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2311, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 152 LEU 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2323,2308, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 153 LEU H 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU HA 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU H 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU HA 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU 2HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2328,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU HA 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU H 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU HA 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU H 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU HA 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU H 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2342, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 153 LEU H 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2342, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2344, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 153 LEU H 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 153 LEU 2HB 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2328, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 153 LEU H 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2379, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU HA 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2376, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU HA 156 PRO 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2370, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA QB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2275, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 154 ALA H 150 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2342,2275, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 154 ALA H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA QB 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 154 ALA QB 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2346,2347,2348,
igr2=2291,2300,
/
#
# 154 ALA QB 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 154 ALA H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2311, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 154 ALA H 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 154 ALA H 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA HA 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2344,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA HA 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2344,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 153 LEU 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2342,2327, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 154 ALA H 153 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2342,2325, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 154 ALA H 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 154 ALA H 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2344, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2344, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 154 ALA HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2344, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 154 ALA H 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 154 ALA H 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2344, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2357, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA QB 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 154 ALA QB 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2354, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 154 ALA H 156 PRO 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2370, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA HA 156 PRO 1HD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2344,2370, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 154 ALA HA 156 PRO 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2344,2370, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2291,2300,
/
#
# 155 HIS H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 1HB 151 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2293,2298,
/
#
# 155 HIS H 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 155 HIS H 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 154 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2352,2344, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 155 HIS HD2 155 HIS HE1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2365,2362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2357, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2356, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 155 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 2HB 155 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2357,2365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2357, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 2HB 155 HIS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2357,2354, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 155 HIS H 155 HIS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2352,2356, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 155 HIS 1HB 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2356,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 2HB 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2357,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 156 PRO 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2370, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 1HB 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2387,2388,
/
#
# 155 HIS H 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 155 HIS H 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 156 PRO 2HD 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 156 PRO 1HD 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 156 PRO 2HD 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370,2357, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 155 HIS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2379,2354, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO HA 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2379,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HD 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2379,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2379, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 157 ASP H 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP H 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2356, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP QB 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2354, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2387,2388,
/
#
# 157 ASP H 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 157 ASP H 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2377, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP H 157 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP H 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2387,2388,
/
#
# 157 ASP H 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2387,2388,
/
#
# 157 ASP HA 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2385, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2387,2388,
/
#
# 158 THR QG2 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2401,2402,2403,
igr2=2291,2300,
/
#
# 158 THR QG2 151 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2401,2402,2403,
igr2=2293,2298,
/
#
# 158 THR H 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2356, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR QG2 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR QG2 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2354, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR QG2 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2357, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR QG2 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2357, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR H 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 158 THR HA 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2397,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR H 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR H 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2387,2388,
/
#
# 158 THR H 157 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR H 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR QG2 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2383, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR HA 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2397, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2387,2388,
/
#
# 158 THR QG2 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2401,2402,2403,
igr2=2387,2388,
/
#
# 158 THR QG2 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2383, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR QG2 157 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2385, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR QG2 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR HA 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2397,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR HA 158 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2397,2399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR QG2 158 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2399, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR HA 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2397, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 158 THR QG2 158 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2399, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR QG2 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 159 TYR 1HB 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2413, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 305, 306,
/
#
# 159 TYR H 158 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2409,2397, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2409, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 159 TYR H 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2409, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 159 TYR QD 159 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2417,2426,
igr2=2419,2424,
/
#
# 159 TYR HA 159 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2411, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2419,2424,
/
#
# 159 TYR 1HB 159 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2413, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2419,2424,
/
#
# 159 TYR 2HB 159 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2419,2424,
/
#
# 159 TYR H 159 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2409,2413, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 159 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2409,2414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 159 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2409,2411, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR HA 159 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2411,2413, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR HA 159 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2411,2414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR 1HB 159 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2413, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2419,2424,
/
#
# 159 TYR 1HB 159 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2413, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2417,2426,
/
#
# 159 TYR 2HB 159 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2419,2424,
/
#
# 159 TYR 2HB 159 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2417,2426,
/
#
# 160 CYS HA 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2432, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 305, 306,
/
#
# 160 CYS QB 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 385, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2434,2435,
/
#
# 160 CYS QB 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 385, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2434,2435,
/
#
# 160 CYS QB 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2311, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2434,2435,
/
#
# 160 CYS H 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 160 CYS QB 158 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2399, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2434,2435,
/
#
# 160 CYS H 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 160 CYS H 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430,2409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 160 CYS H 159 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430,2413, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 160 CYS H 159 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430,2411, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 160 CYS H 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430,2409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 160 CYS H 159 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2417,2426,
/
#
# 160 CYS QB 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2430, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2434,2435,
/
#
# 160 CYS H 160 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430,2432, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 160 CYS QB 160 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2432, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2434,2435,
/
#
# 160 CYS QB 160 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2432, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2434,2435,
/
#
# 160 CYS H 160 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430,2432, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 160 CYS QB 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2430, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2434,2435,
/
#
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