NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
656042 |
6y3k   |
27967 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: Cora10403-amber-restraints.rst
#
# 1 GLY QA 2 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 11, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
rk2=200.0, rk3=200.0, ir6=1, ialtd=0,
igr1= 6, 7,
/
#
# 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, /
#
# 2 VAL H 2 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL QQG 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 13, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL QQG 3 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL QQG 3 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL HB 4 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 2 VAL QQG 4 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 47, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL QQG 120 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.84, r4=10.34,
igr1= 21, 22, 23, 17, 18, 19,
igr2=1824,1825,
/
#
# 2 VAL QQG 120 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1= 21, 22, 23, 17, 18, 19,
igr2=1818,1819,
/
#
# 2 VAL HA 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13,1836, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL QQG 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1836, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL QQG 121 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1840, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL QQG 122 HIS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1859, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL QQG 122 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1859, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL QQG 122 HIS HE1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 2 VAL HA 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL QQG 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 21, 22, 23, 17, 18, 19,
/
#
# 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 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 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 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 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 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 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 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 31, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1840, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 4 CYS 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 QD 4 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 47, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 35, 43,
/
#
# 3 PHE 2HB 4 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, 47, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE HA 4 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 47, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 4 CYS 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 1HB 4 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, 47, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE HA 4 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 51, 52,
/
#
# 3 PHE HA 4 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 47, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 5 TYR 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= 66, 75,
igr2=2098,2099,
/
#
# 5 TYR QD 5 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 63, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 66, 75,
/
#
# 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 H 120 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1818,1819,
/
#
# 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 HA 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, -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 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 121 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 27,1840, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 3 PHE 1HB 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31,1836, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR 1HB 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840,1836, 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, /
#
# 121 TYR 1HB 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840,1841, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 121 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=1844,1853,
/
#
# 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 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 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 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 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 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 QD 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 35, 43,
/
#
# 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 QD 123 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= 35, 43,
igr2=1880,1881,1882,
/
#
# 3 PHE HA 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 3 PHE 2HB 134 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2033,2034,2035,
/
#
# 5 TYR 2HB 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 4 CYS H 4 CYS 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 CYS H 4 CYS 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 CYS HA 4 CYS 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= 51, 52,
/
#
# 4 CYS H 4 CYS 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 CYS HA 4 CYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 51, 52,
/
#
# 4 CYS HA 5 TYR QD 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= 66, 75,
/
#
# 4 CYS 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 CYS 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 CYS 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 CYS HA 5 TYR QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 66, 75,
/
#
# 4 CYS 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 CYS 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 CYS 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 CYS 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= 51, 52,
igr2=1795,1796,1797,
/
#
# 4 CYS 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 CYS HA 118 THR QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1795,1796,1797,
/
#
# 118 THR QG2 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 4 CYS 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, /
#
# 100 TYR HA 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1525,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 CYS 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 CYS 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 CYS 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, /
#
# 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, /
#
# 4 CYS HA 121 TYR QD 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=1844,1853,
/
#
# 4 CYS H 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47,1836, 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, /
#
# 5 TYR 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= 66, 75,
igr2= 68, 73,
/
#
# 5 TYR QD 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= 66, 75,
/
#
# 5 TYR 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= 66, 75,
igr2= 68, 73,
/
#
# 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 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, 62, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 5 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, 63, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 1HB 5 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 63, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR QD 5 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 63, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 66, 75,
/
#
# 5 TYR HA 5 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, 62, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR HA 5 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, 63, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 5 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 58, 63, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 5 TYR 1HB 5 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 63, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 1HB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2098,2099,
/
#
# 5 TYR QD 5 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 66, 75,
/
#
# 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,
/
#
# 5 TYR QD 5 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 66, 75,
/
#
# 121 TYR QD 5 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1844,1853,
/
#
# 5 TYR QD 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 66, 75,
/
#
# 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 QD 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 66, 75,
/
#
# 5 TYR 2HB 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 1HB 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 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 1HB 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 2HB 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 2HB 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 1HB 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 121 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=1844,1853,
igr2=1846,1851,
/
#
# 5 TYR H 121 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=1844,1853,
/
#
# 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 QE 134 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= 68, 73,
igr2=2040,2041,2042,
/
#
# 5 TYR 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= 66, 75,
igr2=2033,2034,2035,
/
#
# 121 TYR 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=1844,1853,
igr2=2033,2034,2035,
/
#
# 5 TYR QE 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= 68, 73,
igr2=2033,2034,2035,
/
#
# 134 ILE QG2 121 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=2033,2034,2035,
igr2=1846,1851,
/
#
# 5 TYR HA 138 LYS 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=2095,2096,
/
#
# 5 TYR 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= 66, 75,
igr2=2098,2099,
/
#
# 5 TYR 2HB 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2095,2096,
/
#
# 5 TYR 1HB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2098,2099,
/
#
# 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 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 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 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 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 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 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 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 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 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 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 HA 7 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 81, 96, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 QG 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= 86, 87,
/
#
# 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,
/
#
# 6 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= 86, 87,
/
#
# 6 GLU 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= 86, 87,
igr2=1752,1753,
/
#
# 6 GLU 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= 86, 87,
igr2=1758,1759,
/
#
# 6 GLU 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= 86, 87,
/
#
# 6 GLU QB 118 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
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 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 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= 86, 87,
/
#
# 6 GLU H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU HA 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU 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= 83, 84,
/
#
# 6 GLU H 138 LYS 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=2095,2096,
/
#
# 7 ASP H 6 GLU QG 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= 86, 87,
/
#
# 7 ASP H 6 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, 81, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP H 6 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, 81, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP H 6 GLU 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= 83, 84,
/
#
# 7 ASP H 6 GLU QG 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= 86, 87,
/
#
# 6 GLU 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= 86, 87,
/
#
# 7 ASP H 6 GLU 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= 83, 84,
/
#
# 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 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= 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 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= 98, 99,
/
#
# 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 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 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 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 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 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 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 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= 98, 99,
/
#
# 7 ASP QB 117 ILE QG2 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= 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 QB 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 98, 99,
/
#
# 7 ASP H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP 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= 98, 99,
igr2= 2158,2159,2160,
/
#
# 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 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 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 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 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 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 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 9 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 121, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 9 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 121, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU 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= 113, 114,
/
#
# 8 GLU QB 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= 110, 111,
/
#
# 8 GLU 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= 113, 114,
/
#
# 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 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= 110, 111,
/
#
# 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, /
#
# 104 MET HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU 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= 113, 114,
/
#
# 8 GLU HA 116 LYS 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=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 HA 116 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1752,1753,
/
#
# 8 GLU HA 116 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1758,1759,
/
#
# 8 GLU 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= 113, 114,
igr2=1761,1762,
/
#
# 8 GLU QG 116 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= 113, 114,
igr2=1755,1756,
/
#
# 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 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 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 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 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 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 HA 10 THR 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= 137, 138, 139,
/
#
# 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 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 H 116 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121,1750, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 115 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121,1731, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 114 ILE QD1 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=1723,1724,1725,
/
#
# 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 H 115 LEU QD1 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=1738,1739,1740,
/
#
# 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 HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA HA 115 LEU QB 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=1733,1734,
/
#
# 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 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= 125, 126, 127,
igr2=1738,1739,1740,
/
#
# 9 ALA QB 115 LEU QD2 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= 125, 126, 127,
igr2=1742,1743,1744,
/
#
# 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, /
#
# 116 LYS H 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1729, 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 10 THR QG2 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= 137, 138, 139,
/
#
# 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 H 116 LYS 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=1755,1756,
/
#
# 9 ALA H 116 LYS QD 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=1758,1759,
/
#
# 9 ALA QB 149 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= 125, 126, 127,
igr2=2265,2266,
/
#
# 10 THR H 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 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 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 10 THR 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= 137, 138, 139,
/
#
# 10 THR QG2 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= 137, 138, 139,
/
#
# 10 THR HA 10 THR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 133, 131, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 10 THR HA 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HB 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HB 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 145, 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 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 150, 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, /
#
# 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, /
#
# 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, /
#
# 10 THR HB 11 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 147, 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 QG2 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= 137, 138, 139,
/
#
# 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,
/
#
# 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,
/
#
# 10 THR H 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131,1712, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR QG2 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= 137, 138, 139,
igr2=1716,1717,1718,
/
#
# 10 THR QG2 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= 137, 138, 139,
igr2=1720,1721,
/
#
# 10 THR QG2 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= 137, 138, 139,
igr2=1720,1721,
/
#
# 10 THR 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= 137, 138, 139,
igr2=1723,1724,1725,
/
#
# 10 THR QG2 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= 137, 138, 139,
/
#
# 10 THR HB 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1720,1721,
/
#
# 10 THR HB 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR HB 115 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 135,1729, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 10 THR HA 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1733,1734,
/
#
# 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 10 THR 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= 137, 138, 139,
/
#
# 10 THR H 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 10 THR HA 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1733,1734,
/
#
# 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,
/
#
# 10 THR QG2 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 137, 138, 139,
/
#
# 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,
/
#
# 9 ALA QB 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 10 THR H 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1733,1734,
/
#
# 10 THR H 10 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 137, 138, 139,
/
#
# 10 THR H 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 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, /
#
# 10 THR HA 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 145, 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 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 H 12 VAL QG1 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= 162, 163, 164,
/
#
# 11 SER HA 12 VAL H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 147, 156, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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, /
#
# 112 GLY 1HA 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, 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 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 2HB 12 VAL H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 150, 156, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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, /
#
# 112 GLY 1HA 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, 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, /
#
# 113 SER QB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1703,1704,
/
#
# 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, /
#
# 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, /
#
# 11 SER H 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 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,
/
#
# 115 LEU QB 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1733,1734,
/
#
# 9 ALA QB 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 10 THR QG2 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 137, 138, 139,
/
#
# 11 SER H 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145,1694, 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 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145,1694, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 112 GLY 2HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 145,1695, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 112 GLY 2HA 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695, 156, 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 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 2HB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 113 SER 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=1703,1704,
/
#
# 112 GLY 1HA 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1703,1704,
/
#
# 11 SER 1HB 113 SER 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=1703,1704,
/
#
# 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 113 SER QB 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=1703,1704,
/
#
# 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 HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147,1699, 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, /
#
# 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,
/
#
# 12 VAL QG1 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= 162, 163, 164,
/
#
# 12 VAL QG2 11 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 166, 167, 168,
/
#
# 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 QG1 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 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 QG1 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 162, 163, 164,
/
#
# 12 VAL QG2 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 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 QG2 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 12 VAL QG2 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 12 VAL QG1 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 162, 163, 164,
/
#
# 12 VAL HA 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 160, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QG1 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 162, 163, 164,
/
#
# 12 VAL QQG 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 166, 167, 168, 162, 163, 164,
/
#
# 12 VAL QG1 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 162, 163, 164,
/
#
# 12 VAL QG1 13 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 162, 163, 164,
/
#
# 12 VAL H 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 13 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 156, 176, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 12 VAL QG1 13 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 162, 163, 164,
/
#
# 12 VAL QG2 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 12 VAL H 13 ILE QD1 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= 185, 186, 187,
/
#
# 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 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL QG2 13 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= 166, 167, 168,
igr2= 185, 186, 187,
/
#
# 12 VAL QG2 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= 166, 167, 168,
/
#
# 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 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156,2311, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL QG2 13 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 12 VAL QG2 12 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 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 QG1 156 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= 162, 163, 164,
igr2=2373,2374,
/
#
# 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 HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 158, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 13 ILE HA 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 160, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL HA 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 160, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE H 13 ILE QG2 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= 178, 179, 180,
/
#
# 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 QG2 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= 178, 179, 180,
/
#
# 13 ILE HB 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 178, 179, 180,
/
#
# 13 ILE HA 13 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 174, 176, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 QG2 13 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= 178, 179, 180,
igr2= 185, 186, 187,
/
#
# 13 ILE H 13 ILE QD1 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= 185, 186, 187,
/
#
# 13 ILE HA 13 ILE 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= 178, 179, 180,
/
#
# 13 ILE QG1 13 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= 182, 183,
igr2= 185, 186, 187,
/
#
# 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 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 13 ILE QD1 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= 185, 186, 187,
/
#
# 12 VAL HA 13 ILE QD1 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= 185, 186, 187,
/
#
# 13 ILE H 13 ILE QG1 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= 182, 183,
/
#
# 13 ILE HB 13 ILE QG1 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= 182, 183,
/
#
# 13 ILE QG1 13 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= 182, 183,
igr2= 178, 179, 180,
/
#
# 13 ILE QG2 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 178, 179, 180,
/
#
# 13 ILE QG2 17 ARG HE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 178, 179, 180,
/
#
# 13 ILE QG2 17 ARG 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= 178, 179, 180,
igr2= 239, 240,
/
#
# 13 ILE QG2 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= 178, 179, 180,
igr2= 233, 234,
/
#
# 13 ILE HB 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 178, 179, 180,
/
#
# 13 ILE QG2 17 ARG 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= 178, 179, 180,
igr2= 239, 240,
/
#
# 13 ILE QG2 159 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2413, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 178, 179, 180,
/
#
# 13 ILE QG2 17 ARG H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 178, 179, 180,
/
#
# 13 ILE QG2 159 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= 178, 179, 180,
igr2=2419,2424,
/
#
# 13 ILE QG1 17 ARG 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= 182, 183,
igr2= 239, 240,
/
#
# 13 ILE QG2 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= 178, 179, 180,
/
#
# 13 ILE QG2 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= 178, 179, 180,
/
#
# 13 ILE HB 18 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE QG2 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 178, 179, 180,
/
#
# 13 ILE QG2 18 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= 178, 179, 180,
igr2= 257, 258,
/
#
# 13 ILE QG2 18 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 260, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 178, 179, 180,
/
#
# 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 QD1 156 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= 185, 186, 187,
igr2=2373,2374,
/
#
# 13 ILE QD1 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2377, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 185, 186, 187,
/
#
# 152 LEU HG 13 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
/
#
# 13 ILE HB 13 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
/
#
# 13 ILE QG2 159 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= 178, 179, 180,
igr2=2417,2426,
/
#
# 13 ILE QD1 159 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= 185, 186, 187,
igr2=2417,2426,
/
#
# 13 ILE QG1 159 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2413, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 182, 183,
/
#
# 13 ILE QG1 159 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2414, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 182, 183,
/
#
# 13 ILE QD1 159 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2413, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 185, 186, 187,
/
#
# 13 ILE QD1 17 ARG 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= 185, 186, 187,
igr2= 239, 240,
/
#
# 13 ILE QG1 159 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2411, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 182, 183,
/
#
# 15 PRO 1HB 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 206, 207,
/
#
# 15 PRO 1HB 15 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, 213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO 1HB 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 206, 207,
/
#
# 15 PRO 2HB 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 206, 207,
/
#
# 15 PRO 1HB 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO 1HB 15 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, 213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO 1HB 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO 2HB 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 1HB 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, -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 2HB 16 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 221, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 16 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 15 PRO 1HB 19 PHE QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 280, 288,
/
#
# 15 PRO 2HB 104 MET 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 213,1604, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO HA 104 MET 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 215,1604, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO HA 104 MET HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 215,1602, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 15 PRO HA 104 MET 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 215,1605, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 15 PRO HA 104 MET 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 215,1604, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 15 PRO HA 105 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 215,1619, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QD 106 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= 206, 207,
igr2=1631,1632,1633,
/
#
# 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 QD 106 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= 206, 207,
igr2=1631,1632,1633,
/
#
# 15 PRO 2HB 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 206, 207,
/
#
# 16 ALA H 15 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 212, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 206, 207,
/
#
# 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 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 212, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA H 15 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 QB 16 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 231, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 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 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= 236, 237,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 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,
/
#
# 16 ALA HA 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, 229, 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, /
#
# 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 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 272, 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 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 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 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 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, /
#
# 19 PHE HA 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 276, 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 QB 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= 223, 224, 225,
igr2= 305, 306,
/
#
# 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, /
#
# 20 LYS H 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 294, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU HA 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA HA 79 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=1201,1209,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 229, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG HA 17 ARG HE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG QD 17 ARG HE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 239, 240,
/
#
# 17 ARG QB 17 ARG 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= 233, 234,
igr2= 239, 240,
/
#
# 17 ARG H 17 ARG QG 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= 236, 237,
/
#
# 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 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 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 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 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 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 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 HA 20 LYS QD 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= 302, 303,
/
#
# 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 HA 20 LYS QE 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= 305, 306,
/
#
# 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 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 HA 20 LYS QD 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= 302, 303,
/
#
# 17 ARG HA 20 LYS QG 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= 299, 300,
/
#
# 17 ARG HE 159 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2419,2424,
/
#
# 17 ARG QG 159 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2414, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 236, 237,
/
#
# 17 ARG QB 159 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2414, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 233, 234,
/
#
# 17 ARG QD 159 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2414, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 239, 240,
/
#
# 159 TYR 1HB 159 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2413,2414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG QD 159 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= 239, 240,
igr2=2417,2426,
/
#
# 17 ARG QD 17 ARG HE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 239, 240,
/
#
# 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 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 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 178, 179, 180,
/
#
# 18 LEU QQD 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 178, 179, 180,
/
#
# 13 ILE QG2 13 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= 178, 179, 180,
igr2= 185, 186, 187,
/
#
# 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, /
#
# 13 ILE HB 13 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
/
#
# 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 104 MET 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,1604, 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, /
#
# 13 ILE H 13 ILE QD1 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= 185, 186, 187,
/
#
# 18 LEU H 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QQD 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 229, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 229, 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 HA 18 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, 260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 18 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 H 18 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 18 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, 260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU HG 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 257, 258,
/
#
# 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 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 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 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 HA 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, 314, 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, /
#
# 18 LEU QQD 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 314, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 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 QB 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 257, 258,
/
#
# 18 LEU QB 104 MET 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1605, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 257, 258,
/
#
# 18 LEU QB 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 257, 258,
/
#
# 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 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,1710, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 114 ILE QD1 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=1723,1724,1725,
/
#
# 19 PHE H 18 LEU QB 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= 257, 258,
/
#
# 19 PHE H 18 LEU QB 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= 257, 258,
/
#
# 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 HA 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 276, 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 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 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 HA 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 19 PHE QD 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= 280, 288,
/
#
# 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 HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 272, 274, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 19 PHE HA 19 PHE QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 280, 288,
/
#
# 19 PHE QD 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= 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,
/
#
# 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 H 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 255, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE H 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 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 H 20 LYS QB 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= 296, 297,
/
#
# 19 PHE H 104 MET 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272,1604, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 2HB 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 294, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 19 PHE HA 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE QD 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 280, 288,
/
#
# 19 PHE HA 21 SER H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 314, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 19 PHE 2HB 22 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= 333, 341,
/
#
# 19 PHE 2HB 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE HA 22 PHE QB 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= 329, 330,
/
#
# 19 PHE H 22 PHE QB 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= 329, 330,
/
#
# 19 PHE QD 22 PHE 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= 280, 288,
igr2= 329, 330,
/
#
# 19 PHE QD 22 PHE 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= 280, 288,
igr2= 329, 330,
/
#
# 19 PHE QD 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 280, 288,
/
#
# 19 PHE 2HB 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE QD 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= 280, 288,
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,
/
#
# 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,
/
#
# 19 PHE H 79 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=1201,1209,
/
#
# 19 PHE 2HB 79 PHE QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1197,1198,
/
#
# 19 PHE 2HB 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277,1195, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE QD 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= 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,
/
#
# 19 PHE QD 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 280, 288,
/
#
# 19 PHE HA 104 MET 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274,1604, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS H 19 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 277, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS H 19 PHE 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 276, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 20 LYS H 20 LYS QB 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= 296, 297,
/
#
# 20 LYS HA 20 LYS QD 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= 302, 303,
/
#
# 20 LYS H 20 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 302, 303,
/
#
# 20 LYS H 20 LYS QB 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= 296, 297,
/
#
# 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 H 20 LYS QE 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= 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 H 20 LYS QG 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= 299, 300,
/
#
# 20 LYS H 20 LYS 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= 302, 303,
/
#
# 20 LYS QD 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= 302, 303,
igr2= 305, 306,
/
#
# 20 LYS QB 20 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= 296, 297,
igr2= 302, 303,
/
#
# 20 LYS QB 20 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 296, 297,
/
#
# 20 LYS QG 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= 299, 300,
igr2= 305, 306,
/
#
# 20 LYS QD 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= 302, 303,
igr2= 305, 306,
/
#
# 20 LYS QG 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= 299, 300,
igr2= 305, 306,
/
#
# 75 ASP 1HB 80 LYS QB 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=1217,1218,
/
#
# 20 LYS QB 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS H 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS H 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 314, 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 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, /
#
# 18 LEU HA 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 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 QG 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 299, 300,
/
#
# 20 LYS QG 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 299, 300,
/
#
# 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 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS QB 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 296, 297,
/
#
# 20 LYS QB 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 24 LEU 2HB 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 368, 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, /
#
# 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, /
#
# 20 LYS QG 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 299, 300,
/
#
# 20 LYS QD 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 302, 303,
/
#
# 20 LYS QG 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 299, 300,
/
#
# 20 LYS QG 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 299, 300,
/
#
# 20 LYS QB 20 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= 296, 297,
igr2= 299, 300,
/
#
# 20 LYS QG 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 299, 300,
/
#
# 20 LYS QG 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 299, 300,
/
#
# 20 LYS QB 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 24 LEU 2HB 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 159 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= 296, 297,
igr2=2417,2426,
/
#
# 20 LYS QB 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 21 SER H 20 LYS QG 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= 299, 300,
/
#
# 21 SER H 21 SER 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= 318, 319,
/
#
# 21 SER 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= 318, 319,
/
#
# 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 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 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 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 434, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 21 SER 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= 318, 319,
/
#
# 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, /
#
# 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, /
#
# 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 QB 22 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= 329, 330,
igr2= 333, 341,
/
#
# 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 HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
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,
/
#
# 23 VAL H 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE 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= 329, 330,
igr2=1243,1252,
/
#
# 81 TYR QD 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 22 PHE QB 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= 329, 330,
igr2=1245,1250,
/
#
# 81 TYR QE 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1245,1250,
/
#
# 22 PHE QB 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 81 TYR 1HB 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1239,1240, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE QB 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 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, /
#
# 22 PHE QD 117 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= 333, 341,
igr2=1783,1784,1785,
/
#
# 23 VAL H 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG1 22 PHE QB 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= 351, 352, 353,
igr2= 329, 330,
/
#
# 23 VAL QG1 22 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= 351, 352, 353,
igr2= 333, 341,
/
#
# 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,
/
#
# 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, /
#
# 23 VAL QG2 22 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= 355, 356, 357,
igr2= 329, 330,
/
#
# 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 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 QG2 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= 355, 356, 357,
/
#
# 23 VAL H 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 349, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 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 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 HA 23 VAL HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 349, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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 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 QG2 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= 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,
/
#
# 29 LEU QQD 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 345, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 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 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 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 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 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 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= 351, 352, 353,
/
#
# 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 QG2 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG2 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1= 355, 356, 357,
/
#
# 23 VAL HB 24 LEU QQD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 349, 367, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 23 VAL QG1 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1= 351, 352, 353,
/
#
# 23 VAL H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 26 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 392, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 21 SER QB 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 318, 319,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 392, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL HA 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 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 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.71, r4=10.21,
igr1= 351, 352, 353,
igr2=1085,1086,1087,1081,1082,1083,
/
#
# 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 QG1 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= 351, 352, 353,
igr2=1127,1128,1129,
/
#
# 23 VAL QG1 74 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG1 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= 351, 352, 353,
igr2=1127,1128,1129,
/
#
# 23 VAL QG1 74 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL HB 74 ILE QG2 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=1127,1128,1129,
/
#
# 23 VAL HB 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 349, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG1 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= 351, 352, 353,
igr2=1243,1252,
/
#
# 23 VAL QG2 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= 355, 356, 357,
/
#
# 23 VAL QG2 81 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 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 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= 355, 356, 357,
igr2=1243,1252,
/
#
# 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 HA 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 347,1240, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL QG1 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= 351, 352, 353,
igr2=1243,1252,
/
#
# 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 QG1 22 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= 351, 352, 353,
igr2= 329, 330,
/
#
# 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 2HB 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 349, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 23 VAL HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 361, 349, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 24 LEU H 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 1HB 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 2HB 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 1HB 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 363, 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 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 2HB 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 1HB 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 2HB 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 24 LEU 2HB 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 363, 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, /
#
# 24 LEU 2HB 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 24 LEU 2HB 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 367, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 20 LYS QB 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 296, 297,
/
#
# 24 LEU 2HB 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 367, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 24 LEU 1HB 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL HB 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 349, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 367, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 24 LEU HA 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 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 1HB 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 385, 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 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 24 LEU 1HB 26 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 392, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 26 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 392, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 26 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 392, 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 H 26 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 392, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 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 1HB 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 1HB 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 385, 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 6.50
&rst
ixpk= 0, nxpk= 0, iat= 384, 382, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 25 ASP 1HB 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 385, 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 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 1HB 26 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 392, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 2HB 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 1HB 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 394, 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 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 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, /
#
# 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, /
#
# 25 ASP H 28 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 423, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 2HB 28 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 423, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN 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= 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, /
#
# 29 LEU H 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 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, /
#
# 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 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 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 QB 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 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 QB 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= 396, 397, 398,
igr2=1245,1250,
/
#
# 26 ALA QB 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 396, 397, 398,
/
#
# 29 LEU QB 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 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 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 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 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 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 QB 54 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= 396, 397, 398,
igr2= 789, 790,
/
#
# 26 ALA QB 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= 396, 397, 398,
igr2=1243,1252,
/
#
# 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,
/
#
# 26 ALA HA 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 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, /
#
# 27 ASP H 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 404, 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 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 QB 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 406, 407,
/
#
# 27 ASP H 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 404, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP QB 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 406, 407,
/
#
# 27 ASP HA 31 PRO QG 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= 470, 471,
/
#
# 27 ASP H 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 621, 622, 623,
/
#
# 27 ASP HA 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 617, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 27 ASP H 54 LYS QD 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= 789, 790,
/
#
# 27 ASP 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= 406, 407,
igr2= 792, 793,
/
#
# 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 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,
/
#
# 78 ASN H 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 78 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1183, 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, /
#
# 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, /
#
# 28 ASN H 26 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 392, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 26 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 392, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 404, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 404, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 430, 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 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 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 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 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 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= 418, 419,
/
#
# 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,
/
#
# 25 ASP 2HB 28 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 424, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 428, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 617, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 428, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 434, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 28 ASN H 31 PRO 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= 470, 471,
/
#
# 28 ASN QB 32 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= 418, 419,
igr2= 493, 494,
/
#
# 28 ASN QB 32 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= 418, 419,
igr2= 493, 494,
/
#
# 29 LEU QB 25 ASP 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 385, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 432, 433,
/
#
# 29 LEU QQD 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 380, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 23 VAL QG1 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= 351, 352, 353,
/
#
# 29 LEU H 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QB 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 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 H 27 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 404, 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 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 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 424, 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, /
#
# 29 LEU QB 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 29 LEU QB 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 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 QB 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 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 HG 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 435, 428, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QB 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 29 LEU H 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 451, 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 H 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 31 PRO 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= 470, 471,
/
#
# 29 LEU HA 32 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 488, 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 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 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 QB 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= 432, 433,
/
#
# 30 ILE H 29 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 435, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 30 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 458, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 30 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 457, 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 1HG1 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 457, 449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE QD1 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 460, 461, 462,
/
#
# 33 VAL QQG 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 30 ILE QG2 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 453, 454, 455,
/
#
# 30 ILE H 30 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 460, 461, 462,
/
#
# 30 ILE H 30 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 453, 454, 455,
/
#
# 30 ILE H 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 2HG1 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 458, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QB 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= 432, 433,
/
#
# 29 LEU HG 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 435, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 32 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE QD1 56 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= 460, 461, 462,
igr2= 836, 837, 838,
/
#
# 30 ILE QD1 56 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= 460, 461, 462,
igr2= 829, 830, 831,
/
#
# 30 ILE QG2 56 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= 453, 454, 455,
igr2= 829, 830, 831,
/
#
# 30 ILE 1HG1 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 457,2176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE 2HG1 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 458,2175, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE 1HG1 144 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 457,2173, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 31 PRO 2HB 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO QG 31 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 470, 471,
/
#
# 31 PRO 1HB 31 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 473, 474, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 1HB 31 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 473, 474, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 1HB 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 473, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 2HB 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 474, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 31 PRO HA 39 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 476, 598, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO HA 35 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 476, 538, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 31 PRO 1HB 40 GLY 2HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 473, 613, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 31 PRO 1HB 40 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 473, 612, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 1HB 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 473, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO QG 56 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= 470, 471,
igr2= 829, 830, 831,
/
#
# 32 LYS H 31 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 473, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 31 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 474, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HB 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 32 LYS QE 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= 493, 494,
/
#
# 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 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 2HG 32 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 493, 494,
/
#
# 32 LYS 1HG 32 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 487, 488, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS 2HG 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 482, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS 2HG 32 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 493, 494,
/
#
# 32 LYS 1HG 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 487, 482, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS 2HG 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 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 1HG 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 487, 482, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS 2HG 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 482, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 1HG 32 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 487, 488, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS 2HG 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 32 LYS H 32 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 488, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 32 LYS 1HG 32 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 493, 494,
/
#
# 32 LYS 1HG 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 32 LYS 1HG 32 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 493, 494,
/
#
# 32 LYS 1HG 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 32 LYS QB 32 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= 484, 485,
igr2= 493, 494,
/
#
# 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 2HG 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 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 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,
/
#
# 33 VAL QG1 29 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 508, 509, 510,
/
#
# 33 VAL QQG 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 33 VAL QQG 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.35, r2= 1.85, r3=10.29, r4=10.79,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 33 VAL QG1 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 148 VAL HA 33 VAL QG1 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= 508, 509, 510,
/
#
# 33 VAL QG1 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL HB 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL QQG 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 30 ILE QG2 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 453, 454, 455,
/
#
# 33 VAL QQG 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1= 512, 513, 514, 508, 509, 510,
igr2= 484, 485,
/
#
# 33 VAL QG2 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= 512, 513, 514,
igr2= 484, 485,
/
#
# 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 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 QG2 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= 512, 513, 514,
/
#
# 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 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 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 HB 33 VAL QG2 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= 512, 513, 514,
/
#
# 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 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 QG2 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= 512, 513, 514,
/
#
# 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 H 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL QQG 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 30 ILE QG2 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= 453, 454, 455,
/
#
# 33 VAL QQG 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 33 VAL HB 30 ILE QG2 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= 453, 454, 455,
/
#
# 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 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 QG2 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= 512, 513, 514,
igr2= 522, 523, 524,
/
#
# 33 VAL QG2 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= 512, 513, 514,
/
#
# 33 VAL QG1 34 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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 QQG 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 30 ILE QG2 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= 453, 454, 455,
/
#
# 33 VAL QQG 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.71, r4=10.21,
igr1= 512, 513, 514, 508, 509, 510,
igr2= 522, 523, 524,
/
#
# 30 ILE QG2 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= 453, 454, 455,
igr2= 522, 523, 524,
/
#
# 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 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= 512, 513, 514,
igr2=2291,2300,
/
#
# 33 VAL QG1 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= 508, 509, 510,
igr2=2291,2300,
/
#
# 33 VAL HA 151 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2293,2298,
/
#
# 33 VAL HB 151 TYR QD 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=2291,2300,
/
#
# 33 VAL QG1 151 TYR QB 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= 508, 509, 510,
igr2=2287,2288,
/
#
# 33 VAL QG2 151 TYR QB 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= 512, 513, 514,
igr2=2287,2288,
/
#
# 33 VAL QQG 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 33 VAL QQG 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514, 508, 509, 510,
/
#
# 33 VAL QQG 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1= 512, 513, 514, 508, 509, 510,
igr2=2287,2288,
/
#
# 33 VAL QQG 151 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1= 512, 513, 514, 508, 509, 510,
igr2=2293,2298,
/
#
# 33 VAL HA 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2287,2288,
/
#
# 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 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 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 HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 518, 520, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 34 ALA QB 37 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA QB 37 HIS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
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,
/
#
# 35 PRO QD 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= 529, 530,
/
#
# 35 PRO 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= 529, 530,
/
#
# 35 PRO QD 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= 529, 530,
/
#
# 35 PRO QD 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= 529, 530,
/
#
# 35 PRO QG 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= 532, 533,
igr2= 535, 536,
/
#
# 35 PRO QD 35 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= 529, 530,
igr2= 532, 533,
/
#
# 35 PRO QG 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= 532, 533,
igr2= 535, 536,
/
#
# 35 PRO QD 35 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= 529, 530,
igr2= 532, 533,
/
#
# 35 PRO HA 35 PRO QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
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 2HE2 35 PRO QG 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= 532, 533,
/
#
# 36 GLN H 35 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 538, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HE2 35 PRO QD 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= 529, 530,
/
#
# 36 GLN 1HE2 35 PRO QG 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= 532, 533,
/
#
# 36 GLN 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= 549, 550,
/
#
# 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 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 2HE2 36 GLN QG 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= 549, 550,
/
#
# 36 GLN QG 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= 549, 550,
/
#
# 36 GLN 2HE2 36 GLN QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 549, 550,
/
#
# 36 GLN QG 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= 549, 550,
/
#
# 36 GLN H 36 GLN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 542, 544, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 36 GLN H 36 GLN QB 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= 546, 547,
/
#
# 36 GLN HA 36 GLN 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= 546, 547,
/
#
# 36 GLN QG 36 GLN 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= 549, 550,
igr2= 546, 547,
/
#
# 36 GLN QG 35 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= 549, 550,
igr2= 532, 533,
/
#
# 36 GLN HA 36 GLN 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= 546, 547,
/
#
# 36 GLN QG 36 GLN 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= 549, 550,
igr2= 546, 547,
/
#
# 36 GLN 1HE2 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 542, 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 1HE2 36 GLN QG 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= 549, 550,
/
#
# 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,
/
#
# 36 GLN 1HE2 36 GLN QG 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= 549, 550,
/
#
# 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, /
#
# 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, /
#
# 36 GLN HA 37 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 544, 572, 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, /
#
# 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, /
#
# 37 HIS H 35 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 538, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 H 36 GLN QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 546, 547,
/
#
# 37 HIS QB 37 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 563, 564,
/
#
# 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 QB 37 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, 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 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 HA 59 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 880, 881, 882,
/
#
# 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 6.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 563, 564,
/
#
# 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 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 HA 39 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 602, 603, 604,
/
#
# 39 THR HB 40 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 600, 610, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 40 GLY 1HA 40 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 613, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 GLY 2HA 40 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 613, 610, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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 QB 40 GLY 2HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 621, 622, 623,
/
#
# 41 ALA H 40 GLY 2HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 617, 613, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA QB 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, 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 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 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 HA 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 619, 627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA HA 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 619, 627, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA HA 42 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 619, 629, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 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,
/
#
# 41 ALA QB 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 41 ALA HA 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 619, 803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA HA 56 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 829, 830, 831,
/
#
# 41 ALA HA 56 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 836, 837, 838,
/
#
# 41 ALA QB 56 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 621, 622, 623,
/
#
# 41 ALA QB 56 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= 621, 622, 623,
igr2= 836, 837, 838,
/
#
# 41 ALA QB 56 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 621, 622, 623,
/
#
# 41 ALA QB 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
/
#
# 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 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 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 QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 634, 635,
/
#
# 42 GLU HA 42 GLU 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= 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 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 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, /
#
# 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 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 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 QG 43 ASN H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 634, 635,
/
#
# 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 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 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 H 54 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 627, 781, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 823, 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 2HB 43 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 652, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HB 43 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 651, 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 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 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 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 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 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 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 1HB 43 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 652, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HB 43 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HB 43 ASN 2HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 647, 652, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 43 ASN 1HB 43 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 43 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HB 43 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 652, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS QE 43 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 792, 793,
/
#
# 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 2HB 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 792, 793,
/
#
# 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 54 LYS QE 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= 792, 793,
/
#
# 43 ASN 2HB 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 656, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 1HB 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 656, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 44 LEU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 660, 661,
/
#
# 43 ASN 2HB 44 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 647, 656, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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 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 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 H 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HB 54 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 786, 787,
/
#
# 43 ASN HA 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 781, 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, /
#
# 43 ASN HA 54 LYS QE 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= 792, 793,
/
#
# 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,
/
#
# 43 ASN 2HB 54 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 786, 787,
/
#
# 44 LEU QQD 42 GLU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 631, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 42 GLU 2HG 44 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 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 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= 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 H 44 LEU 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= 660, 661,
/
#
# 44 LEU HA 44 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 658, 663, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 658, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU 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= 660, 661,
/
#
# 44 LEU HA 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 658, 663, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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, /
#
# 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, /
#
# 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 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 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 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 HG 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 766, 767, 768,
/
#
# 44 LEU QB 53 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= 660, 661,
igr2= 766, 767, 768,
/
#
# 44 LEU HG 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 766, 767, 768,
/
#
# 44 LEU QB 53 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= 660, 661,
igr2= 766, 767, 768,
/
#
# 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, /
#
# 55 LYS QB 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 805, 806,
/
#
# 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, /
#
# 53 ILE H 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 54 LYS 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= 786, 787,
/
#
# 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, /
#
# 71 VAL H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1075, 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, /
#
# 44 LEU QQD 55 LYS QD 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= 811, 812,
/
#
# 44 LEU QQD 55 LYS QD 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= 811, 812,
/
#
# 45 GLU H 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 658, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 663, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 53 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 773, 774, 775,
/
#
# 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 QB 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= 679, 680,
/
#
# 45 GLU H 45 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 675, 677, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 HA 45 GLU QB 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= 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 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 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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, /
#
# 53 ILE H 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU H 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 45 GLU H 54 LYS 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= 786, 787,
/
#
# 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 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= 679, 680,
igr2= 766, 767, 768,
/
#
# 45 GLU H 53 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 675, 764, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 46 GLY H 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 677, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 45 GLU QB 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= 679, 680,
/
#
# 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 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, 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 H 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 46 GLY QA 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, 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 H 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 677, 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 699, 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 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 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 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 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 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 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 2HB 47 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 702, 699, 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 48 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 697, 714, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 48 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 713, 714,
/
#
# 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, /
#
# 48 GLY H 47 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, 699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 48 GLY H 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, 697, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 48 GLY H 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, 697, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 48 GLY H 48 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, 714, 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 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 HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 711, 750, 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, /
#
# 49 GLY H 48 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 718, 714, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 49 GLY H 49 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 720, 721,
/
#
# 49 GLY QA 50 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= 720, 721,
igr2= 726, 727,
/
#
# 49 GLY QA 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 720, 721,
/
#
# 50 PRO 1HG 50 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 729, 730, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 2HB 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 726, 727,
/
#
# 50 PRO 1HB 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 726, 727,
/
#
# 50 PRO 1HG 50 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 729, 730, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HG 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 729, 733, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 2HG 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 730, 733, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HG 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 729, 733, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HB 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 732, 733, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HB 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 732, 733, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HB 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 726, 727,
/
#
# 50 PRO 2HB 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 726, 727,
/
#
# 50 PRO 2HG 50 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 730, 732, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HG 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 726, 727,
/
#
# 50 PRO 2HG 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 726, 727,
/
#
# 50 PRO 2HB 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 733,1108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 50 PRO 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 50 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 732, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 50 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 730, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 51 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 741, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 51 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 742, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY 1HA 51 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 741, 742, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY 1HA 51 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 741, 742, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 51 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 739, 741, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 51 GLY H 51 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 742, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY 2HA 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 742, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 1HA 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 741, 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, /
#
# 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 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 1HA 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1066,1067,
/
#
# 51 GLY 2HA 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1066,1067,
/
#
# 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 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 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, 733, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=1085,1086,1087,1081,1082,1083,
/
#
# 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 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 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 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 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 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 HA 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 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 QG2 52 THR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 752, 753, 754,
/
#
# 52 THR HB 52 THR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 746, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 52 THR HA 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 750, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 53 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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,
/
#
# 70 LYS QG 53 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1060,1061,
/
#
# 52 THR H 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR HB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 81 TYR 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=1245,1250,
/
#
# 53 ILE H 44 LEU QB 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= 660, 661,
/
#
# 53 ILE H 44 LEU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 660, 661,
/
#
# 53 ILE H 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 675, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 45 GLU 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= 679, 680,
/
#
# 53 ILE H 45 GLU QB 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= 679, 680,
/
#
# 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 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 677, 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 HB 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 690, 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 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 QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 53 ILE H 52 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 760, 750, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 53 ILE H 52 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 760, 748, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 53 ILE H 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 766, 767, 768,
/
#
# 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 QD1 53 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= 773, 774, 775,
igr2= 770, 771,
/
#
# 53 ILE 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= 766, 767, 768,
/
#
# 53 ILE QD1 53 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= 773, 774, 775,
igr2= 770, 771,
/
#
# 53 ILE HB 53 ILE QG2 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= 766, 767, 768,
/
#
# 53 ILE QG1 53 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 770, 771,
/
#
# 53 ILE 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= 766, 767, 768,
/
#
# 53 ILE H 53 ILE QG1 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= 770, 771,
/
#
# 53 ILE H 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE 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= 766, 767, 768,
/
#
# 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 QG1 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= 770, 771,
/
#
# 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 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= 766, 767, 768,
/
#
# 53 ILE H 54 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= 786, 787,
/
#
# 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 H 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 752, 753, 754,
/
#
# 53 ILE QG2 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 766, 767, 768,
/
#
# 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, /
#
# 69 HIS H 67 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036, 999, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE QD1 70 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= 773, 774, 775,
igr2=1066,1067,
/
#
# 53 ILE QG1 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= 770, 771,
igr2=1057,1058,
/
#
# 53 ILE QD1 70 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= 773, 774, 775,
igr2=1060,1061,
/
#
# 53 ILE QG2 70 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 766, 767, 768,
/
#
# 53 ILE QD1 70 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= 773, 774, 775,
igr2=1063,1064,
/
#
# 53 ILE QD1 70 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= 773, 774, 775,
igr2=1060,1061,
/
#
# 53 ILE QG1 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= 770, 771,
/
#
# 53 ILE QD1 70 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= 773, 774, 775,
igr2=1063,1064,
/
#
# 86 ILE QD1 70 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=1331,1332,1333,
igr2=1063,1064,
/
#
# 53 ILE HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 762,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE QG1 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= 770, 771,
/
#
# 53 ILE 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= 766, 767, 768,
/
#
# 53 ILE HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 762,1075, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 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= 770, 771,
igr2=1331,1332,1333,
/
#
# 54 LYS QD 41 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= 789, 790,
igr2= 621, 622, 623,
/
#
# 41 ALA QB 54 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= 621, 622, 623,
igr2= 783, 784,
/
#
# 54 LYS QB 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 783, 784,
/
#
# 54 LYS QD 43 ASN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 789, 790,
/
#
# 54 LYS QD 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 789, 790,
/
#
# 54 LYS QE 43 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 792, 793,
/
#
# 43 ASN 1HB 43 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS HA 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, 656, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS HA 44 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 781, 658, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 54 LYS QB 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 783, 784,
/
#
# 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, /
#
# 54 LYS QE 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 792, 793,
/
#
# 43 ASN 1HB 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 656, 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 781, 656, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 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 QE 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= 792, 793,
igr2= 752, 753, 754,
/
#
# 54 LYS QD 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= 789, 790,
igr2= 752, 753, 754,
/
#
# 54 LYS QE 52 THR QG2 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= 792, 793,
igr2= 752, 753, 754,
/
#
# 54 LYS QG 53 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= 786, 787,
igr2= 766, 767, 768,
/
#
# 54 LYS QB 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 783, 784,
/
#
# 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 QB 54 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 783, 784,
/
#
# 54 LYS HA 54 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 781, 779, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 54 LYS QE 54 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= 792, 793,
igr2= 786, 787,
/
#
# 43 ASN 1HB 54 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, -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 QB 54 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= 783, 784,
igr2= 786, 787,
/
#
# 54 LYS QD 54 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= 789, 790,
igr2= 786, 787,
/
#
# 54 LYS QD 54 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= 789, 790,
igr2= 786, 787,
/
#
# 54 LYS QD 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= 789, 790,
igr2= 752, 753, 754,
/
#
# 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 QD 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= 789, 790,
igr2= 792, 793,
/
#
# 54 LYS QD 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= 789, 790,
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 QD 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= 789, 790,
/
#
# 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 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 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 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 QB 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= 783, 784,
igr2=1040,1041,
/
#
# 54 LYS 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= 783, 784,
/
#
# 69 HIS H 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036, 827, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS QB 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= 783, 784,
igr2=1040,1041,
/
#
# 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 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=1057,1058,
/
#
# 55 LYS H 42 GLU 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= 634, 635,
/
#
# 55 LYS H 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801, 644, 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 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 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 53 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= 805, 806,
igr2= 766, 767, 768,
/
#
# 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 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 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 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,
/
#
# 54 LYS QD 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 789, 790,
/
#
# 55 LYS QG 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= 808, 809,
igr2= 811, 812,
/
#
# 55 LYS QG 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= 808, 809,
/
#
# 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 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 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 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 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,
/
#
# 56 ILE H 55 LYS QD 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= 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 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 HA 56 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 836, 837, 838,
/
#
# 55 LYS QG 56 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= 808, 809,
igr2= 829, 830, 831,
/
#
# 55 LYS H 69 HIS 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=1040,1041,
/
#
# 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 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 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 HA 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 825, 801, 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,
/
#
# 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,
/
#
# 56 ILE HA 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 825, 823, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE H 56 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 829, 830, 831,
/
#
# 56 ILE H 56 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 836, 837, 838,
/
#
# 56 ILE HB 56 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 836, 837, 838,
/
#
# 56 ILE HA 56 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 836, 837, 838,
/
#
# 56 ILE HA 56 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 829, 830, 831,
/
#
# 56 ILE H 56 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 829, 830, 831,
/
#
# 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 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 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 H 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823,1036, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 801,1036, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 59 ALA QB 59 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 880, 881, 882,
/
#
# 59 ALA QB 59 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 880, 881, 882,
/
#
# 59 ALA QB 64 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 880, 881, 882,
/
#
# 60 GLU H 37 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 886, 561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 60 GLU H 59 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 880, 881, 882,
/
#
# 60 GLU H 59 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 880, 881, 882,
/
#
# 60 GLU H 60 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 890, 891,
/
#
# 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 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 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 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 1HB 64 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 938, 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 H 64 PHE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 934, 936, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 64 PHE 1HB 66 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 984, 993,
/
#
# 67 MET HA 56 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 836, 837, 838,
/
#
# 67 MET QG 56 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=1004,1005,
igr2= 836, 837, 838,
/
#
# 67 MET QG 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1004,1005,
/
#
# 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 HA 85 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1305,1306,1307,
/
#
# 67 MET QG 85 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=1004,1005,
igr2=1305,1306,1307,
/
#
# 67 MET QG 85 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=1004,1005,
igr2=1305,1306,1307,
/
#
# 67 MET HA 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 999,1355, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 67 MET HA 90 PRO QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1367,1368,
/
#
# 67 MET QG 90 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=1004,1005,
igr2=1370,1371,
/
#
# 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 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 85 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1305,1306,1307,
/
#
# 68 LYS H 85 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1305,1306,1307,
/
#
# 68 LYS H 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1322, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1339, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1337, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1337, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1339, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014,1352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1389,1390,1391,
/
#
# 69 HIS H 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036, 803, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS QB 56 ILE QG2 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=1040,1041,
igr2= 829, 830, 831,
/
#
# 69 HIS H 68 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036,1016, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS H 68 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1036,1016, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 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 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 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=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 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, /
#
# 70 LYS H 83 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1277,1282,
/
#
# 69 HIS QB 83 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=1040,1041,
igr2=1277,1282,
/
#
# 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 HA 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1038,1288, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS HA 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1038,1288, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 83 TYR QE 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=1277,1282,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1038,1299, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR QE 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1277,1282,
/
#
# 70 LYS QG 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1060,1061,
/
#
# 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,
/
#
# 70 LYS QE 53 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=1066,1067,
igr2= 770, 771,
/
#
# 70 LYS QG 53 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=1060,1061,
igr2= 770, 771,
/
#
# 70 LYS QG 53 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=1060,1061,
igr2= 770, 771,
/
#
# 70 LYS H 70 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1057,1058,
/
#
# 70 LYS QE 70 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=1066,1067,
igr2=1063,1064,
/
#
# 70 LYS QG 70 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=1060,1061,
igr2=1063,1064,
/
#
# 70 LYS 2HG 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1061,1058, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 1HG 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1060,1057, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QG 70 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1060,1061,
/
#
# 70 LYS QG 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=1060,1061,
/
#
# 70 LYS QE 70 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=1066,1067,
igr2=1063,1064,
/
#
# 70 LYS QE 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=1066,1067,
igr2=1060,1061,
/
#
# 70 LYS HA 70 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1057,1058,
/
#
# 70 LYS QE 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=1066,1067,
igr2=1060,1061,
/
#
# 70 LYS HA 70 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=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 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 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 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 H 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 70 LYS H 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 70 LYS H 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1053,1288, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS H 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1053,1288, 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, /
#
# 70 LYS QB 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1057,1058,
/
#
# 70 LYS H 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 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 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,
/
#
# 53 ILE QD1 70 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= 773, 774, 775,
igr2=1057,1058,
/
#
# 71 VAL QQG 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1=1085,1086,1087,1081,1082,1083,
igr2= 726, 727,
/
#
# 71 VAL HA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL QQG 50 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 732, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL HB 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1079, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL HB 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1079, 746, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1075, 779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL H 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1075,1055, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL HA 70 LYS 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=1060,1061,
/
#
# 71 VAL H 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1075,1055, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL H 70 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1057,1058,
/
#
# 71 VAL HB 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1060,1061,
/
#
# 71 VAL H 70 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1057,1058,
/
#
# 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 HA 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1079, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QQG 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL HA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL QQG 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL QQG 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 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 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 HA 72 GLU 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=1095,1096,
/
#
# 71 VAL QQG 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL QQG 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL HA 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QQG 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL HB 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 71 VAL QQG 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.71, r4=10.21,
igr1=1085,1086,1087,1081,1082,1083,
igr2=1134,1135,1136,
/
#
# 71 VAL QQG 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.71, r4=10.21,
igr1=1085,1086,1087,1081,1082,1083,
igr2=1134,1135,1136,
/
#
# 71 VAL HA 81 TYR QE 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=1245,1250,
/
#
# 71 VAL HB 81 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1245,1250,
/
#
# 71 VAL QQG 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1=1085,1086,1087,1081,1082,1083,
igr2=1245,1250,
/
#
# 74 ILE QG2 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=1127,1128,1129,
igr2=1245,1250,
/
#
# 71 VAL QQG 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 71 VAL HA 83 TYR QD 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=1275,1284,
/
#
# 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 QQG 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1085,1086,1087,1081,1082,1083,
/
#
# 83 TYR H 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 15 PRO 1HB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QQG 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1=1085,1086,1087,1081,1082,1083,
igr2=1275,1284,
/
#
# 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 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 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 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 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 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 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1095,1096,
/
#
# 72 GLU QB 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=1095,1096,
/
#
# 72 GLU H 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU H 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU QB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1095,1096,
/
#
# 72 GLU QB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1095,1096,
/
#
# 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,
/
#
# 72 GLU H 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091,1108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU H 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091,1093, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 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=1095,1096,
/
#
# 72 GLU H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1091,1269, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 50 PRO QD 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= 726, 727,
/
#
# 73 GLU QG 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, 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 HA 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1108,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 QG 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=1113,1114,
igr2=1110,1111,
/
#
# 73 GLU QG 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=1113,1114,
igr2=1110,1111,
/
#
# 73 GLU HA 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1108,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU HA 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1093,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU HA 74 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1108,1125, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 73 GLU QG 74 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1113,1114,
/
#
# 73 GLU H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1258, 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 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, /
#
# 74 ILE 2HG1 50 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, 730, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 2HG1 50 PRO 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, 729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE 1HG1 50 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131, 730, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE 2HG1 50 PRO 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, 729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE 2HG1 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=1085,1086,1087,1081,1082,1083,
/
#
# 74 ILE H 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=1085,1086,1087,1081,1082,1083,
/
#
# 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 2HG1 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=1085,1086,1087,1081,1082,1083,
/
#
# 74 ILE 2HG1 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 74 ILE 2HG1 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1091, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE 1HG1 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131,1106, 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 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 2HG1 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1106, 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 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 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 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 1HG1 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 74 ILE 2HG1 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 74 ILE 1HG1 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 74 ILE 2HG1 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 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 HB 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1125, -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 QG2 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=1127,1128,1129,
igr2=1134,1135,1136,
/
#
# 74 ILE 1HG1 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 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 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 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 1HG1 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
/
#
# 74 ILE 2HG1 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 74 ILE 1HG1 74 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131,1132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE 2HG1 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1125, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE 1HG1 74 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131,1132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE HA 74 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE HB 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 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 1HG1 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131,1125, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE 2HG1 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1125, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE H 75 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1121,1142, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
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 HA 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1239, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE HA 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1240, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE 2HG1 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 74 ILE 1HG1 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 74 ILE 1HG1 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1245,1250,
/
#
# 26 ALA QB 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= 396, 397, 398,
igr2=1245,1250,
/
#
# 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, /
#
# 75 ASP H 73 GLU QG 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=1113,1114,
/
#
# 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 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 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 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 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 H 74 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 54 LYS 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= 786, 787,
/
#
# 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, /
#
# 43 ASN HA 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 656, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 75 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1142, 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 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 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 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 1HB 75 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1144,1142, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 75 ASP H 75 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1140,1142, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 75 ASP 1HB 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1142,1154, 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, /
#
# 83 TYR H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1169, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1189, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 78 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 103 LYS QE 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=1591,1592,
/
#
# 75 ASP 2HB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1189, 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, /
#
# 75 ASP 1HB 78 ASN 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1144,1184, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN 2HB 103 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1591,1592,
/
#
# 75 ASP 2HB 78 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1184, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1184, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1193, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1215, 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1213, 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 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 2HB 80 LYS QB 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=1217,1218,
/
#
# 75 ASP 1HB 80 LYS QG 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=1220,1221,
/
#
# 75 ASP 2HB 80 LYS QG 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=1220,1221,
/
#
# 75 ASP 2HB 80 LYS 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=1226,1227,
/
#
# 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, /
#
# 75 ASP H 81 TYR QD 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=1243,1252,
/
#
# 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, /
#
# 75 ASP H 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 82 CYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 76 HIS H 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1152,1154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1154,1165, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 76 HIS H 76 HIS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1152,1154, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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,
/
#
# 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 HA 76 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1171,1165, 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 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 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 HA 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1171,1169, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA HA 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1173,1174,1175,
/
#
# 77 ALA HA 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1173,1174,1175,
/
#
# 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 HA 77 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1171,1169, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 77 ALA QB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1173,1174,1175,
/
#
# 78 ASN H 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1144, 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 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 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 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 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 2HB 77 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1173,1174,1175,
/
#
# 78 ASN H 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1173,1174,1175,
/
#
# 78 ASN HA 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1173,1174,1175,
/
#
# 78 ASN 1HB 77 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1173,1174,1175,
/
#
# 78 ASN 2HB 77 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1173,1174,1175,
/
#
# 78 ASN HA 77 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1173,1174,1175,
/
#
# 78 ASN H 77 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1179,1171, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 77 ALA HA 76 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1171,1165, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1173,1174,1175,
/
#
# 29 LEU QB 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 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 HA 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1181,1188, 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 H 78 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1184, 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 H 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1181, 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 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 2HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1184,1189, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN H 78 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1184, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 78 ASN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1179,1181, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN 1HB 78 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1184, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 78 ASN 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1181,1183, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN H 78 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN 2HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1183,1189, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN 1HB 78 ASN 1HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1183,1188, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN 2HB 78 ASN 1HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1184,1188, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN HA 78 ASN 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1181,1184, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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, /
#
# 75 ASP 2HB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1181,1193, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1193, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1193, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1193, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1195, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 79 PHE QB 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=1197,1198,
/
#
# 78 ASN HA 78 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1181,1183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 80 LYS 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=1217,1218,
/
#
# 78 ASN 1HB 80 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1217,1218,
/
#
# 78 ASN 2HB 80 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1217,1218,
/
#
# 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, /
#
# 80 LYS H 81 TYR 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=1243,1252,
/
#
# 78 ASN 2HB 103 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1591,1592,
/
#
# 79 PHE QD 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=1201,1209,
igr2= 280, 288,
/
#
# 79 PHE QD 76 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1201,1209,
/
#
# 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 QD 76 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1165, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1201,1209,
/
#
# 79 PHE QD 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=1201,1209,
igr2= 280, 288,
/
#
# 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 QD 77 ALA QB 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=1201,1209,
igr2=1173,1174,1175,
/
#
# 79 PHE H 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE QD 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1201,1209,
/
#
# 79 PHE QD 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1201,1209,
/
#
# 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 HA 79 PHE 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=1197,1198,
/
#
# 79 PHE QD 79 PHE QB 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=1201,1209,
igr2=1197,1198,
/
#
# 79 PHE H 79 PHE QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1197,1198,
/
#
# 79 PHE HA 79 PHE 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=1197,1198,
/
#
# 79 PHE H 79 PHE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1193,1195, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 79 PHE QD 79 PHE 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=1201,1209,
igr2=1197,1198,
/
#
# 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,
/
#
# 78 ASN 1HB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1193, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 QD 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=1201,1209,
/
#
# 80 LYS QB 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1217,1218,
/
#
# 80 LYS QB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1217,1218,
/
#
# 80 LYS H 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1213,1195, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 79 PHE 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=1197,1198,
/
#
# 78 ASN 1HB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1183,1213, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 80 LYS 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=1223,1224,
/
#
# 80 LYS 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=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 HA 80 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1220,1221,
/
#
# 80 LYS 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=1217,1218,
/
#
# 80 LYS HA 80 LYS QG 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=1220,1221,
/
#
# 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 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 6.50
&rst
ixpk= 0, nxpk= 0, iat=1213,1215, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 80 LYS QB 80 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=1217,1218,
igr2=1220,1221,
/
#
# 80 LYS H 80 LYS QG 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=1220,1221,
/
#
# 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,
/
#
# 80 LYS QD 80 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=1223,1224,
igr2=1220,1221,
/
#
# 80 LYS QB 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=1217,1218,
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,
/
#
# 80 LYS QD 80 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=1223,1224,
igr2=1220,1221,
/
#
# 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 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 QB 80 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=1217,1218,
igr2=1220,1221,
/
#
# 80 LYS QB 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=1217,1218,
igr2=1223,1224,
/
#
# 80 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=1220,1221,
igr2=1226,1227,
/
#
# 80 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=1220,1221,
igr2=1226,1227,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1215,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS HA 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1215,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS QB 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1217,1218,
/
#
# 81 TYR H 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1569, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 1HG1 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1789, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 80 LYS QD 101 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=1223,1224,
igr2=1548,1549,
/
#
# 80 LYS QD 101 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=1223,1224,
igr2=1548,1549,
/
#
# 80 LYS HA 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1215,1578, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS QB 103 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=1217,1218,
igr2=1585,1586,
/
#
# 80 LYS HA 103 LYS QG 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=1585,1586,
/
#
# 80 LYS QB 103 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=1217,1218,
igr2=1582,1583,
/
#
# 103 LYS QD 103 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=1588,1589,
igr2=1582,1583,
/
#
# 81 TYR QD 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1=1243,1252,
igr2=1085,1086,1087,1081,1082,1083,
/
#
# 81 TYR QD 102 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=1243,1252,
igr2=1572,1573,1574,
/
#
# 81 TYR QE 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=1245,1250,
/
#
# 81 TYR QD 74 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 TYR QD 74 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 TYR QD 74 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 TYR QD 74 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1243,1252,
/
#
# 81 TYR H 80 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1220,1221,
/
#
# 81 TYR H 80 LYS QG 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=1220,1221,
/
#
# 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 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 QD 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 TYR QD 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 TYR QD 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 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 QD 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1240, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 TYR H 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1240, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR 1HB 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1239,1240, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 81 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1237,1240, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 QD 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 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=1245,1250,
igr2=1275,1284,
/
#
# 81 TYR QD 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=1243,1252,
igr2=1271,1272,
/
#
# 81 TYR QE 102 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=1245,1250,
igr2=1572,1573,1574,
/
#
# 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 QD 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 TYR 1HB 102 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1239,1563, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 81 TYR 2HB 102 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1240,1563, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 81 TYR QD 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1243,1252,
/
#
# 81 TYR QD 102 ILE QG2 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=1243,1252,
igr2=1565,1566,1567,
/
#
# 81 TYR H 102 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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, /
#
# 103 LYS H 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1789, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1580, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 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 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 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 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 2HB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 73 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1260,1106, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS 2HB 73 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=1113,1114,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1256,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS HA 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1235, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 82 CYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1261, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS HA 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1256, 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 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1261, 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 2HB 82 CYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1261,1258, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 HA 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1267, 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS HA 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1267, 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 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, /
#
# 83 TYR H 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1267, 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, /
#
# 82 CYS HA 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1523, 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 2HB 101 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=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, /
#
# 80 LYS HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1215,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR QD 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=1275,1284,
/
#
# 83 TYR QD 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1275,1284,
/
#
# 69 HIS 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=1040,1041,
igr2=1275,1284,
/
#
# 83 TYR QD 83 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=1277,1282,
/
#
# 83 TYR QD 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=1275,1284,
/
#
# 83 TYR QD 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1275,1284,
/
#
# 83 TYR QD 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=1275,1284,
igr2=1271,1272,
/
#
# 83 TYR QE 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=1277,1282,
/
#
# 83 TYR QD 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=1275,1284,
/
#
# 83 TYR HA 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR 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=1271,1272,
/
#
# 104 MET H 79 PHE QB 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=1197,1198,
/
#
# 83 TYR QB 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1271,1272,
/
#
# 83 TYR QD 83 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=1277,1282,
/
#
# 69 HIS HA 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1275,1284,
/
#
# 83 TYR QB 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1271,1272,
/
#
# 83 TYR HA 84 SER 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=1292,1293,
/
#
# 83 TYR QD 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=1275,1284,
/
#
# 83 TYR H 100 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=1531,1540,
/
#
# 83 TYR H 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR QE 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1277,1282,
/
#
# 83 TYR QE 100 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1527, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1277,1282,
/
#
# 83 TYR QE 100 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1277,1282,
/
#
# 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, /
#
# 104 MET 2HB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1605,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1608, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR HA 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1269,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1546, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 101 GLU QG 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=1551,1552,
/
#
# 83 TYR QE 145 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=1277,1282,
igr2=2200,2204,
/
#
# 84 SER H 70 LYS 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=1063,1064,
/
#
# 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 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 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 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 83 TYR QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1271,1272,
/
#
# 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 QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
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, /
#
# 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, /
#
# 84 SER HA 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290,1299, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER QB 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1292,1293,
/
#
# 84 SER HA 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290,1301, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER 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=1292,1293,
/
#
# 84 SER HA 85 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1290,1301, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 84 SER HA 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290,1299, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1288,1299, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1299, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER QB 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1292,1293,
/
#
# 84 SER QB 97 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=1292,1293,
igr2=1481,1482,
/
#
# 84 SER QB 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1292,1293,
/
#
# 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, /
#
# 84 SER HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER HA 99 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1290,1514, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER 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=1292,1293,
/
#
# 99 SER H 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1517, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE QG2 56 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=1305,1306,1307,
igr2= 836, 837, 838,
/
#
# 41 ALA QB 56 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= 621, 622, 623,
igr2= 836, 837, 838,
/
#
# 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 QG2 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE H 85 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1312,1313,1314,
/
#
# 85 ILE HB 85 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1312,1313,1314,
/
#
# 85 ILE QG2 85 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=1305,1306,1307,
igr2=1312,1313,1314,
/
#
# 85 ILE H 85 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1299,1303, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 85 ILE QG2 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE QG2 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE HB 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1301, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HA 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1301,1318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1318, 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 QG2 86 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=1305,1306,1307,
igr2=1324,1325,1326,
/
#
# 85 ILE QG2 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE QG2 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE QG2 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE QG2 90 PRO 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=1305,1306,1307,
igr2=1367,1368,
/
#
# 85 ILE QG2 90 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=1305,1306,1307,
igr2=1370,1371,
/
#
# 85 ILE QG2 90 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=1305,1306,1307,
igr2=1370,1371,
/
#
# 85 ILE QG2 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE QG2 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE QG2 91 LEU QD2 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=1305,1306,1307,
igr2=1393,1394,1395,
/
#
# 85 ILE QG2 91 LEU QD2 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=1305,1306,1307,
igr2=1393,1394,1395,
/
#
# 91 LEU QD2 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=1393,1394,1395,
/
#
# 85 ILE QG2 91 LEU 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=1305,1306,1307,
igr2=1389,1390,1391,
/
#
# 91 LEU 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=1389,1390,1391,
/
#
# 85 ILE QG2 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE QG2 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 85 ILE QG2 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 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 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 HB 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1493, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 98 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1497, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HB 98 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1497, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HB 98 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1497, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 85 ILE HB 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 85 ILE HB 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 85 ILE QG2 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1305,1306,1307,
/
#
# 87 GLU H 85 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=1305,1306,1307,
/
#
# 85 ILE H 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1495, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1473, 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 99 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1514, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HB 100 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1533,1538,
/
#
# 85 ILE QG2 100 TYR 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=1305,1306,1307,
igr2=1533,1538,
/
#
# 85 ILE HB 100 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1533,1538,
/
#
# 85 ILE H 100 TYR QE 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=1533,1538,
/
#
# 100 TYR QD 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1531,1540,
/
#
# 85 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=1305,1306,1307,
igr2=1533,1538,
/
#
# 117 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=1776,1777,1778,
igr2=1533,1538,
/
#
# 85 ILE H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE QD1 70 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=1331,1332,1333,
igr2=1063,1064,
/
#
# 86 ILE QD1 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1331,1332,1333,
/
#
# 86 ILE H 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1320, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE QD1 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1331,1332,1333,
/
#
# 86 ILE QG2 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=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,
/
#
# 97 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=1481,1482,
igr2=1324,1325,1326,
/
#
# 86 ILE QG1 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=1328,1329,
igr2=1324,1325,1326,
/
#
# 86 ILE QD1 86 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=1331,1332,1333,
igr2=1328,1329,
/
#
# 86 ILE QG1 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=1328,1329,
igr2=1324,1325,1326,
/
#
# 86 ILE QD1 86 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=1331,1332,1333,
igr2=1328,1329,
/
#
# 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 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 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 HB 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE HB 87 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1341,1342,
/
#
# 86 ILE QG2 96 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=1324,1325,1326,
igr2=1463,1464,
/
#
# 86 ILE QD1 97 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=1331,1332,1333,
igr2=1475,1476,
/
#
# 97 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=1475,1476,
igr2=1324,1325,1326,
/
#
# 86 ILE QG1 97 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=1328,1329,
igr2=1478,1479,
/
#
# 97 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=1475,1476,
igr2=1328,1329,
/
#
# 86 ILE H 97 LYS QB 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=1475,1476,
/
#
# 87 GLU H 85 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=1305,1306,1307,
/
#
# 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 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 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=1341,1342,
igr2=1324,1325,1326,
/
#
# 87 GLU H 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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 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 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 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 HA 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1324,1325,1326,
/
#
# 86 ILE QG2 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1324,1325,1326,
/
#
# 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 87 GLU 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=1341,1342,
/
#
# 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 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 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 QG 87 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=1344,1345,
igr2=1341,1342,
/
#
# 87 GLU QG 87 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=1344,1345,
igr2=1341,1342,
/
#
# 87 GLU HA 87 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1344,1345,
/
#
# 87 GLU HA 87 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1344,1345,
/
#
# 87 GLU HA 87 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1341,1342,
/
#
# 87 GLU QB 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1341,1342,
/
#
# 87 GLU HA 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339,1352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU HA 88 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339,1354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU HA 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339,1355, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU HA 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339,1352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU HA 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1389,1390,1391,
/
#
# 87 GLU HA 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU 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=1341,1342,
igr2=1384,1385,
/
#
# 87 GLU HA 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1389,1390,1391,
/
#
# 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 H 91 LEU 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=1389,1390,1391,
/
#
# 91 LEU QD1 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 91 LEU QD1 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 87 GLU HA 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1339,1380, 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, /
#
# 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 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=1341,1342,
/
#
# 87 GLU 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=1341,1342,
/
#
# 87 GLU H 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1458, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1458,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU H 97 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=1475,1476,
/
#
# 87 GLU H 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1473, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU QB 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1341,1342,
/
#
# 87 GLU QB 124 LYS 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=1341,1342,
igr2=1901,1902,
/
#
# 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 2HA 87 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
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 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 88 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1352,1354, 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 1HA 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1354,1355, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY 1HA 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1354,1355, 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 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 2HA 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1355,1387, 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 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, /
#
# 87 GLU H 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1337,1352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 2HB 90 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1367,1368,
/
#
# 90 PRO 2HB 90 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1370,1371,
/
#
# 90 PRO HA 90 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1370,1371,
/
#
# 90 PRO 2HB 90 PRO QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1367,1368,
/
#
# 90 PRO 1HB 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1373,1376, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 1HB 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1373,1376, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 1HB 90 PRO QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1367,1368,
/
#
# 90 PRO 1HB 90 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1370,1371,
/
#
# 90 PRO QD 90 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=1367,1368,
igr2=1370,1371,
/
#
# 90 PRO QD 91 LEU QB 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=1367,1368,
igr2=1384,1385,
/
#
# 91 LEU QD2 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=1393,1394,1395,
/
#
# 91 LEU QD1 87 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=1389,1390,1391,
igr2=1344,1345,
/
#
# 91 LEU H 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1355, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD1 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 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 HG 90 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1367,1368,
/
#
# 91 LEU H 90 PRO 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1380,1373, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 QD1 90 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=1389,1390,1391,
igr2=1370,1371,
/
#
# 91 LEU H 90 PRO QD 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=1367,1368,
/
#
# 91 LEU H 90 PRO QG 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=1370,1371,
/
#
# 91 LEU QD1 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 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 H 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD1 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 91 LEU QD2 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1393,1394,1395,
/
#
# 91 LEU HG 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1382, 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 QD2 91 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=1393,1394,1395,
igr2=1384,1385,
/
#
# 91 LEU H 91 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1380,1382, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 91 LEU HG 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD1 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 91 LEU QD1 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 91 LEU QD2 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1393,1394,1395,
/
#
# 91 LEU QD2 91 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=1393,1394,1395,
igr2=1384,1385,
/
#
# 91 LEU QD2 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1393,1394,1395,
/
#
# 91 LEU QD1 91 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=1389,1390,1391,
igr2=1384,1385,
/
#
# 91 LEU QB 98 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=1384,1385,
igr2=1506,1507,1508,
/
#
# 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 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 QD2 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1393,1394,1395,
/
#
# 87 GLU H 91 LEU QD2 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=1393,1394,1395,
/
#
# 91 LEU QD2 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1393,1394,1395,
/
#
# 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 HG 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD1 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=1389,1390,1391,
/
#
# 91 LEU H 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU HA 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382,1399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD2 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=1393,1394,1395,
/
#
# 91 LEU QB 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1384,1385,
/
#
# 91 LEU QD1 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 91 LEU QD2 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1393,1394,1395,
/
#
# 91 LEU HA 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382,1442, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU HA 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382,1441, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD2 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1393,1394,1395,
/
#
# 91 LEU HA 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1382,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 91 LEU QB 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1384,1385,
/
#
# 95 LEU 1HB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QB 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=1384,1385,
/
#
# 91 LEU QB 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1384,1385,
/
#
# 91 LEU QD2 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1393,1394,1395,
/
#
# 91 LEU QD2 98 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=1393,1394,1395,
igr2=1506,1507,1508,
/
#
# 91 LEU QD2 98 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=1393,1394,1395,
igr2=1503,1504,
/
#
# 91 LEU HG 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 91 LEU 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=1389,1390,1391,
igr2=1499,1500,1501,
/
#
# 98 ILE QG2 98 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=1499,1500,1501,
igr2=1506,1507,1508,
/
#
# 91 LEU QD1 98 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=1389,1390,1391,
igr2=1503,1504,
/
#
# 98 ILE QD1 98 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=1506,1507,1508,
igr2=1503,1504,
/
#
# 91 LEU HG 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 91 LEU QD1 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1389,1390,1391,
/
#
# 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 92 GLY QA 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=1401,1402,
/
#
# 92 GLY QA 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=1401,1402,
/
#
# 92 GLY H 92 GLY QA 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=1401,1402,
/
#
# 92 GLY H 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1441, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1442, 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 HD2 93 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1419,1408, 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,
/
#
# 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,
/
#
# 93 HIS HA 94 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1408,1423, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 93 HIS HA 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1901,1902,
/
#
# 94 THR QG2 93 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1429,1430,1431,
/
#
# 94 THR QG2 93 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1429,1430,1431,
/
#
# 94 THR QG2 93 HIS QB 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=1429,1430,1431,
igr2=1410,1411,
/
#
# 94 THR QG2 124 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=1429,1430,1431,
igr2=1898,1899,
/
#
# 94 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=1429,1430,1431,
igr2=1935,1936,1937,
/
#
# 94 THR QG2 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=1429,1430,1431,
/
#
# 94 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=1429,1430,1431,
igr2=1935,1936,1937,
/
#
# 94 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=1429,1430,1431,
igr2=1965,1966,1967,
/
#
# 95 LEU 1HB 92 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1401,1402,
/
#
# 95 LEU 2HB 92 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1401,1402,
/
#
# 95 LEU H 93 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1410,1411,
/
#
# 95 LEU 2HB 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1429,1430,1431,
/
#
# 95 LEU H 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU H 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437,1439, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1442, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1442, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1439, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1439, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU 2HB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1442, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1442,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU H 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437,1443, 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 1HB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1441, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU QQD 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1439, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU H 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437,1458, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HG 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1458, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HG 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QQD 97 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1443,1471, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 95 LEU HG 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1503,1504,
/
#
# 95 LEU QQD 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=1506,1507,1508,
/
#
# 91 LEU 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=1389,1390,1391,
/
#
# 95 LEU QQD 129 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1962, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU QQD 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1857, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU HA 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1876, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QQD 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1874, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU QQD 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1878, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 95 LEU HA 123 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1439,1878, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 95 LEU HA 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1458, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1888, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU H 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437,1888, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 124 LYS QE 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=1901,1902,
/
#
# 95 LEU H 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1901,1902,
/
#
# 95 LEU H 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1895,1896,
/
#
# 95 LEU 1HB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1437, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 95 LEU HA 129 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1965,1966,1967,
/
#
# 95 LEU 1HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 95 LEU HA 129 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439,1963, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 95 LEU HA 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 95 LEU QQD 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1443, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=1965,1966,1967,
/
#
# 94 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=1429,1430,1431,
igr2=1965,1966,1967,
/
#
# 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 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 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 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 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1458, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 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 H 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1458, 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 QG 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=1463,1464,
/
#
# 96 GLU 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=1460,1461,
/
#
# 96 GLU HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1458,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU QB 97 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=1478,1479,
/
#
# 96 GLU QB 97 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1471, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1460,1461,
/
#
# 96 GLU QG 97 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=1478,1479,
/
#
# 96 GLU H 97 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=1478,1479,
/
#
# 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 QG 97 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=1478,1479,
/
#
# 97 LYS 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=1475,1476,
igr2=1463,1464,
/
#
# 96 GLU 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=1460,1461,
/
#
# 96 GLU H 122 HIS 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=1861,1862,
/
#
# 96 GLU QG 122 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=1463,1464,
igr2=1861,1862,
/
#
# 96 GLU QB 122 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=1460,1461,
igr2=1861,1862,
/
#
# 96 GLU QB 122 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=1460,1461,
igr2=1861,1862,
/
#
# 96 GLU H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU QB 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1460,1461,
/
#
# 96 GLU QB 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1876, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1460,1461,
/
#
# 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 HA 124 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1901,1902,
/
#
# 96 GLU H 124 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1901,1902,
/
#
# 96 GLU HA 124 LYS QE 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=1901,1902,
/
#
# 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 QB 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1460,1461,
/
#
# 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 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 H 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1441, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 95 LEU HG 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1458, 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 H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1456,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 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=1475,1476,
igr2=1328,1329,
/
#
# 97 LYS QB 97 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=1475,1476,
igr2=1481,1482,
/
#
# 97 LYS HA 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS HA 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1463,1464,
/
#
# 97 LYS QD 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=1481,1482,
igr2=1463,1464,
/
#
# 97 LYS 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=1475,1476,
igr2=1463,1464,
/
#
# 97 LYS HA 97 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1478,1479,
/
#
# 98 ILE HA 97 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1478,1479,
/
#
# 97 LYS QG 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=1478,1479,
/
#
# 97 LYS 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=1475,1476,
/
#
# 95 LEU HG 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS QD 97 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=1481,1482,
igr2=1478,1479,
/
#
# 97 LYS HA 97 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1481,1482,
/
#
# 97 LYS HA 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 98 ILE HA 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 97 LYS HA 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1503,1504,
/
#
# 98 ILE HA 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1503,1504,
/
#
# 97 LYS HA 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473,1493, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HA 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495,1493, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 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=1478,1479,
/
#
# 97 LYS 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=1475,1476,
/
#
# 99 SER H 120 LYS 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=1818,1819,
/
#
# 97 LYS H 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS HA 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS QG 122 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=1478,1479,
igr2=1861,1862,
/
#
# 97 LYS QG 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=1478,1479,
/
#
# 95 LEU HG 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HB 85 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1312,1313,1314,
/
#
# 98 ILE H 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1318, 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, /
#
# 98 ILE H 97 LYS 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=1475,1476,
/
#
# 134 ILE H 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HA 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1475,1476,
/
#
# 85 ILE HA 97 LYS 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=1475,1476,
/
#
# 97 LYS HA 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1475,1476,
/
#
# 98 ILE H 97 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1475,1476,
/
#
# 97 LYS 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=1475,1476,
/
#
# 87 GLU H 97 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=1475,1476,
/
#
# 98 ILE HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 97 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1481,1482,
/
#
# 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 HA 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 98 ILE HB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 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 QG2 98 ILE QG1 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=1499,1500,1501,
igr2=1503,1504,
/
#
# 98 ILE HB 98 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1497,1493, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 98 ILE HB 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1503,1504,
/
#
# 98 ILE QG2 98 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=1499,1500,1501,
igr2=1506,1507,1508,
/
#
# 98 ILE QG2 98 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=1499,1500,1501,
igr2=1503,1504,
/
#
# 98 ILE HB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 98 ILE HB 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 98 ILE HB 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1493, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 97 LYS QD 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=1481,1482,
/
#
# 98 ILE H 98 ILE QG1 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=1503,1504,
/
#
# 98 ILE QD1 98 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=1506,1507,1508,
igr2=1503,1504,
/
#
# 98 ILE H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE QG2 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1499,1500,1501,
/
#
# 98 ILE HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HA 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495,1517, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HA 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495,1516, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE QG2 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1499,1500,1501,
/
#
# 98 ILE HA 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE QG2 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1814, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1499,1500,1501,
/
#
# 98 ILE HA 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495,1838, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE 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=1499,1500,1501,
/
#
# 98 ILE 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=1499,1500,1501,
/
#
# 98 ILE QG2 121 TYR 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=1499,1500,1501,
igr2=1846,1851,
/
#
# 122 HIS HD2 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 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, /
#
# 98 ILE 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=1499,1500,1501,
/
#
# 98 ILE HA 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1861,1862,
/
#
# 98 ILE H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1493,1857, 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, /
#
# 98 ILE HA 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1495,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS HA 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1473,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 99 SER H 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1516, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1516, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1517, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1517, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1516, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1516, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 119 SER HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 1HB 100 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1516,1525, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 99 SER H 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 1HB 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1824,1825,
/
#
# 99 SER 1HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1516,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1516, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER HA 120 LYS 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=1818,1819,
/
#
# 119 SER HA 120 LYS 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=1818,1819,
/
#
# 99 SER HA 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1514,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER HA 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 120 LYS QG 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=1821,1822,
/
#
# 98 ILE HB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 72 GLU QG 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=1098,1099,
/
#
# 100 TYR H 101 GLU QG 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=1551,1552,
/
#
# 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 QD 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=1531,1540,
/
#
# 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 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1517, 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, /
#
# 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, /
#
# 100 TYR H 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1299, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR QD 98 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1531,1540,
/
#
# 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 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 98 ILE QG2 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1814, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1499,1500,1501,
/
#
# 100 TYR H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1516, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1512,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1517, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 2HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1517,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 99 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1514, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR QD 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=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 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 QE 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1533,1538,
/
#
# 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 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 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 QD 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1531,1540,
/
#
# 100 TYR H 100 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1523,1528, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 100 TYR 1HB 100 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1527,1525, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 100 TYR H 100 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1523,1527, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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=1531,1540,
/
#
# 100 TYR 1HB 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1527,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR 2HB 101 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1528,1544, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 100 TYR 1HB 101 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1527,1544, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 100 TYR 1HB 102 ILE 2HG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1527,1570, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 100 TYR QD 117 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=1531,1540,
igr2=1783,1784,1785,
/
#
# 100 TYR QE 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=1533,1538,
/
#
# 100 TYR QE 119 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=1533,1538,
igr2=1807,1808,
/
#
# 100 TYR QD 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1805, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1531,1540,
/
#
# 100 TYR QD 99 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1531,1540,
/
#
# 100 TYR QD 145 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=1531,1540,
igr2=2200,2204,
/
#
# 101 GLU HA 80 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1220,1221,
/
#
# 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1525, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1525, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU QG 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=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 HA 101 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1548,1549,
/
#
# 101 GLU HA 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1546,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU HA 101 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1551,1552,
/
#
# 101 GLU HA 101 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1548,1549,
/
#
# 101 GLU H 101 GLU QB 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=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 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 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 H 101 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=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 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 HA 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1546,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU QG 102 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1551,1552,
/
#
# 101 GLU HA 102 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1546,1563, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 101 GLU HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1546,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 102 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1546,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1772,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1772, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU HA 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1546,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1793, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 118 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1544,1793, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 101 GLU H 118 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1544,1791, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 7 ASP H 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94,1791, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE H 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1770,1791, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HA 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1239, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HA 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1240, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 1HG1 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HB 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 2HG1 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 1HG1 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1559, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 2HG1 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 1HG1 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 2HG1 102 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 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=1572,1573,1574,
/
#
# 102 ILE HB 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 102 ILE 2HG1 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 1HG1 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1563, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HA 102 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1561,1563, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 102 ILE HB 102 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1563,1559, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 102 ILE 1HG1 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 102 ILE 2HG1 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 102 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=1572,1573,1574,
/
#
# 102 ILE HB 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 102 ILE 1HG1 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 1HG1 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 2HG1 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 117 ILE QG2 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 102 ILE HA 103 LYS QB 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=1582,1583,
/
#
# 102 ILE HA 103 LYS QB 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=1582,1583,
/
#
# 102 ILE QG2 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1565,1566,1567,
/
#
# 102 ILE HB 117 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 102 ILE 2HG1 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1774, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 2HG1 117 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1780,1781,
/
#
# 102 ILE QD1 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=1572,1573,1574,
igr2=1780,1781,
/
#
# 102 ILE 1HG1 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1772, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 102 ILE QG2 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=1565,1566,1567,
igr2=1783,1784,1785,
/
#
# 102 ILE QD1 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=1572,1573,1574,
igr2=1565,1566,1567,
/
#
# 102 ILE QD1 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=1572,1573,1574,
igr2=1780,1781,
/
#
# 102 ILE 2HG1 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1772, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU HA 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1546,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QD1 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=1572,1573,1574,
igr2=2198,2206,
/
#
# 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 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 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 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 H 102 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1561, 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 H 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 103 LYS H 103 LYS QB 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=1582,1583,
/
#
# 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 HA 103 LYS QB 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=1582,1583,
/
#
# 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 QD 103 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=1588,1589,
igr2=1585,1586,
/
#
# 103 LYS QB 103 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=1582,1583,
igr2=1591,1592,
/
#
# 103 LYS QD 103 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=1588,1589,
igr2=1582,1583,
/
#
# 103 LYS HA 103 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1588,1589,
/
#
# 103 LYS HA 103 LYS QG 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=1585,1586,
/
#
# 103 LYS QG 103 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=1582,1583,
/
#
# 103 LYS H 103 LYS QG 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=1585,1586,
/
#
# 103 LYS HA 103 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1580, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1585,1586,
/
#
# 103 LYS QD 103 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=1588,1589,
igr2=1585,1586,
/
#
# 103 LYS H 103 LYS QB 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=1582,1583,
/
#
# 103 LYS QG 103 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=1582,1583,
/
#
# 103 LYS QD 103 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=1588,1589,
igr2=1591,1592,
/
#
# 103 LYS H 103 LYS QG 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=1585,1586,
/
#
# 103 LYS H 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS H 103 LYS QD 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=1588,1589,
/
#
# 80 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=1217,1218,
/
#
# 103 LYS H 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1569, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 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,
/
#
# 103 LYS QD 103 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=1588,1589,
igr2=1591,1592,
/
#
# 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,
/
#
# 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,
/
#
# 104 MET 1HB 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 104 MET 1HB 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 104 MET H 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1195, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 1HB 79 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1197,1198,
/
#
# 104 MET 1HB 79 PHE QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1197,1198,
/
#
# 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 1HB 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 104 MET 2HG 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1608, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 104 MET 1HG 102 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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 QG 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=1585,1586,
/
#
# 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 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,
/
#
# 83 TYR H 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1569, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 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=1217,1218,
/
#
# 104 MET 1HB 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1604,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 1HB 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1604,1608, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 1HB 104 MET 2HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1604,1608, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 104 MET 1HB 104 MET H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1604,1600, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 104 MET 1HB 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1604,1617, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 2HB 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1605,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 2HG 104 MET HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1608,1602, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 104 MET 2HB 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1605,1602, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 104 MET 2HB 105 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1605,1619, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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, /
#
# 113 SER HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA HA 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1619, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 105 ALA QB 103 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=1621,1622,1623,
igr2=1582,1583,
/
#
# 105 ALA QB 103 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=1621,1622,1623,
igr2=1591,1592,
/
#
# 103 LYS QG 103 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=1591,1592,
/
#
# 105 ALA HA 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1619,1600, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1608, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 2HB 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1605,1617, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1608, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1608, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA HA 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1619, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1621,1622,1623,
/
#
# 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 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 HA 106 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1619, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1631,1632,1633,
/
#
# 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 HA 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1619,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 103 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=1585,1586,
/
#
# 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 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 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,
/
#
# 114 ILE QG1 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=1720,1721,
igr2=1716,1717,1718,
/
#
# 116 LYS 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=1755,1756,
igr2=1716,1717,1718,
/
#
# 105 ALA QB 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1621,1622,1623,
/
#
# 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,
/
#
# 114 ILE QG1 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=1720,1721,
/
#
# 115 LEU H 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1729,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA H 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1617,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 15 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 209, 210,
/
#
# 106 ALA H 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1617, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA H 105 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1619, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA H 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1621,1622,1623,
/
#
# 106 ALA HA 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=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,
/
#
# 106 ALA H 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1621,1622,1623,
/
#
# 106 ALA H 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1631,1632,1633,
/
#
# 106 ALA H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA H 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1631,1632,1633,
/
#
# 106 ALA HA 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1631,1632,1633,
/
#
# 106 ALA H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA HA 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=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 H 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA H 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1637, 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,
/
#
# 114 ILE QG1 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1720,1721,
/
#
# 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,
/
#
# 106 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=1631,1632,1633,
/
#
# 106 ALA H 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1714, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 106 ALA HA 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629,1714, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA H 114 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1627,1714, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 106 ALA HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1699,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1629,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 107 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=1641,1642,1643,
igr2=1631,1632,1633,
/
#
# 107 ALA H 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1631,1632,1633,
/
#
# 107 ALA H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1629, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA H 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1639, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA H 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1631,1632,1633,
/
#
# 114 ILE QG1 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=1720,1721,
/
#
# 107 ALA H 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1621,1622,1623,
/
#
# 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 H 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1639, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 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 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 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 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 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 QB 110 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1680, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
/
#
# 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,
/
#
# 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,
/
#
# 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1663, 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 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 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=1641,1642,1643,
igr2=1687,1688,
/
#
# 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 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 113 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1641,1642,1643,
/
#
# 107 ALA QB 113 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1641,1642,1643,
/
#
# 107 ALA H 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1714, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA H 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA H 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 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=1641,1642,1643,
/
#
# 107 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=1641,1642,1643,
/
#
# 107 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=1641,1642,1643,
/
#
# 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 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1648,1649,
/
#
# 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 QG 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1651,1652,
/
#
# 108 PRO QD 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1648,1649,
/
#
# 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 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1651,1652,
/
#
# 108 PRO QG 108 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1651,1652,
/
#
# 108 PRO QD 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1648,1649
/
#
# 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,
/
#
# 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,
/
#
# 108 PRO QG 109 HIS HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1651,1652,
/
#
# 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 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1661,1654, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 110 GLY 2HA 109 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1681,1661, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 109 HIS HA 109 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1663,1674, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 109 HIS QB 109 HIS HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1665,1666,
/
#
# 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 H 109 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1661,1663, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 109 HIS HA 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1663, -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,
/
#
# 109 HIS HA 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1663, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1665,1666,
/
#
# 109 HIS HA 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1663,1685, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 110 GLY 2HA 109 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1681,1663, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 110 GLY 1HA 109 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1680,1663, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 110 GLY 2HA 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1681,1685, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 110 GLY 2HA 111 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1681, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1687,1688,
/
#
# 110 GLY 1HA 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1680,1685, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 108 PRO QD 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1648,1649,
/
#
# 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 6.50
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1687,1688,
/
#
# 112 GLY 2HA 12 VAL HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1695, 160, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 1HA 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694,1637, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA H 110 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1637,1680, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 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 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 QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1692, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1687,1688,
/
#
# 112 GLY H 110 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1692,1680, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1703,1704,
/
#
# 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 QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1703,1704,
/
#
# 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, /
#
# 11 SER 1HB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149,1699, 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 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 HA 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=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,
/
#
# 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 QB 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=1703,1704,
/
#
# 113 SER HA 106 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1631,1632,1633,
/
#
# 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 HA 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1639, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 107 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1701,1637, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 QB 113 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1703,1704,
/
#
# 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 QB 113 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1703,1704,
/
#
# 113 SER QB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1703,1704,
/
#
# 113 SER QB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1710, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1703,1704,
/
#
# 113 SER QB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1703,1704,
/
#
# 11 SER 2HB 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 114 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1701,1714, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 114 ILE HB 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1714,1602, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER QB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1710, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1703,1704,
/
#
# 114 ILE HA 10 THR QG2 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= 137, 138, 139,
/
#
# 114 ILE QD1 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=1723,1724,1725,
/
#
# 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 QD1 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 114 ILE QD1 105 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=1723,1724,1725,
igr2=1621,1622,1623,
/
#
# 114 ILE QD1 105 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=1723,1724,1725,
igr2=1621,1622,1623,
/
#
# 114 ILE QD1 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=1723,1724,1725,
igr2=1720,1721,
/
#
# 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 QD1 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=1723,1724,1725,
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 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 QD1 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=1723,1724,1725,
igr2=1641,1642,1643,
/
#
# 10 THR 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= 137, 138, 139,
igr2=1723,1724,1725,
/
#
# 114 ILE QG1 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1720,1721,
/
#
# 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 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 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 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 QG1 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1720,1721,
/
#
# 114 ILE QG1 113 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1720,1721,
/
#
# 113 SER HA 106 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1631,1632,1633,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 114 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1712,1714, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 114 ILE QD1 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=1723,1724,1725,
/
#
# 114 ILE HB 114 ILE QG2 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=1716,1717,1718,
/
#
# 114 ILE HA 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1714, 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 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 QD1 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=1723,1724,1725,
igr2=1716,1717,1718,
/
#
# 114 ILE QD1 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=1723,1724,1725,
/
#
# 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 QD1 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=1723,1724,1725,
igr2=1716,1717,1718,
/
#
# 114 ILE QD1 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=1723,1724,1725,
igr2=1720,1721,
/
#
# 114 ILE QG1 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=1720,1721,
igr2=1716,1717,1718,
/
#
# 114 ILE QG1 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=1720,1721,
/
#
# 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,
/
#
# 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,
/
#
# 114 ILE QG1 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=1720,1721,
/
#
# 114 ILE HB 105 ALA QB 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=1621,1622,1623,
/
#
# 114 ILE HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1710, 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 QG1 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1710, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1720,1721,
/
#
# 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,
/
#
# 114 ILE HA 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1720,1721,
/
#
# 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 QD1 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 114 ILE HA 115 LEU QD1 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=1738,1739,1740,
/
#
# 114 ILE HA 115 LEU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1733,1734,
/
#
# 114 ILE HA 10 THR 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= 137, 138, 139,
/
#
# 114 ILE QG1 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=1720,1721,
/
#
# 114 ILE QG1 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1710, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1720,1721,
/
#
# 114 ILE HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QD1 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=1723,1724,1725,
igr2=1761,1762,
/
#
# 115 LEU QD1 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1738,1739,1740,
/
#
# 115 LEU QD1 11 SER 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1738,1739,1740,
/
#
# 115 LEU QD1 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1738,1739,1740,
/
#
# 115 LEU QD2 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1742,1743,1744,
/
#
# 115 LEU QD2 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1742,1743,1744,
/
#
# 115 LEU QD1 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=1738,1739,1740,
/
#
# 115 LEU QD1 22 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=1738,1739,1740,
igr2= 333, 341,
/
#
# 115 LEU QD2 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=1742,1743,1744,
igr2=1565,1566,1567,
/
#
# 115 LEU QD1 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=1738,1739,1740,
igr2=1565,1566,1567,
/
#
# 115 LEU QD2 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=1742,1743,1744,
igr2=1565,1566,1567,
/
#
# 115 LEU 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=1738,1739,1740,
/
#
# 115 LEU QD1 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1738,1739,1740,
/
#
# 115 LEU QD1 104 MET 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1738,1739,1740,
/
#
# 115 LEU HA 104 MET HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1731,1602, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 115 LEU QD1 104 MET HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1738,1739,1740,
/
#
# 115 LEU HA 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731,1617, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU HA 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 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,
/
#
# 115 LEU HA 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1716,1717,1718,
/
#
# 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,
/
#
# 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,
/
#
# 115 LEU QD1 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1738,1739,1740,
/
#
# 115 LEU QD2 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1729, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1742,1743,1744,
/
#
# 115 LEU QB 115 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=1733,1734,
igr2=1738,1739,1740,
/
#
# 115 LEU QB 115 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1733,1734,
/
#
# 115 LEU HA 115 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1738,1739,1740,
/
#
# 115 LEU HA 115 LEU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1733,1734,
/
#
# 115 LEU QD1 115 LEU QD2 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=1738,1739,1740,
igr2=1742,1743,1744,
/
#
# 115 LEU QD1 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1738,1739,1740,
/
#
# 115 LEU QD1 115 LEU QD2 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=1738,1739,1740,
igr2=1742,1743,1744,
/
#
# 115 LEU QD2 115 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1742,1743,1744,
/
#
# 115 LEU QD1 115 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1738,1739,1740,
/
#
# 115 LEU QD2 115 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1742,1743,1744,
/
#
# 115 LEU HA 115 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1742,1743,1744,
/
#
# 115 LEU QB 115 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=1733,1734,
igr2=1742,1743,1744,
/
#
# 115 LEU HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731,1729, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 115 LEU QB 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1733,1734,
/
#
# 9 ALA QB 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 115 LEU QB 115 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=1733,1734,
igr2=1738,1739,1740,
/
#
# 9 ALA QB 115 LEU 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= 125, 126, 127,
igr2=1738,1739,1740,
/
#
# 115 LEU HA 115 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1738,1739,1740,
/
#
# 116 LYS HA 115 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1738,1739,1740,
/
#
# 115 LEU QD1 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=1738,1739,1740,
/
#
# 115 LEU QB 115 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=1733,1734,
igr2=1742,1743,1744,
/
#
# 9 ALA QB 115 LEU QD2 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=1742,1743,1744,
/
#
# 115 LEU QD1 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=1738,1739,1740,
/
#
# 115 LEU HA 116 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1731,1748, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 115 LEU QD1 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=1738,1739,1740,
/
#
# 115 LEU HA 116 LYS QG 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=1755,1756,
/
#
# 116 LYS HA 116 LYS QG 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=1755,1756,
/
#
# 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,
/
#
# 74 ILE 1HG1 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1131,1256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU HG 117 ILE QD1 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=1783,1784,1785,
/
#
# 115 LEU QD1 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=1738,1739,1740,
igr2=1783,1784,1785,
/
#
# 115 LEU QD2 117 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1742,1743,1744,
/
#
# 115 LEU QD1 117 ILE QG1 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=1738,1739,1740,
igr2=1780,1781,
/
#
# 115 LEU QD2 145 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=1742,1743,1744,
igr2=2198,2206,
/
#
# 115 LEU QD2 145 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=1742,1743,1744,
igr2=2200,2204,
/
#
# 116 LYS HA 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 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,
/
#
# 116 LYS H 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1602, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS H 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1602, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS QD 105 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=1758,1759,
igr2=1621,1622,1623,
/
#
# 116 LYS 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=1755,1756,
igr2=1716,1717,1718,
/
#
# 116 LYS QD 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=1758,1759,
igr2=1716,1717,1718,
/
#
# 114 ILE HB 114 ILE QG2 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=1716,1717,1718,
/
#
# 116 LYS QG 114 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=1755,1756,
igr2=1723,1724,1725,
/
#
# 116 LYS HA 115 LEU QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1738,1739,1740,
/
#
# 116 LYS HA 115 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1742,1743,1744,
/
#
# 115 LEU QD2 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=1742,1743,1744,
/
#
# 115 LEU HA 115 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1742,1743,1744,
/
#
# 116 LYS HA 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU HA 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QD 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=1758,1759,
/
#
# 116 LYS HA 116 LYS QE 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=1761,1762,
/
#
# 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 QD 116 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=1758,1759,
igr2=1755,1756,
/
#
# 116 LYS QD 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=1758,1759,
igr2=1761,1762,
/
#
# 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 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 H 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1752,1753,
/
#
# 116 LYS H 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1582,1583,
/
#
# 116 LYS QD 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=1758,1759,
igr2=1752,1753,
/
#
# 116 LYS QD 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=1758,1759,
igr2=1752,1753,
/
#
# 116 LYS QD 116 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=1758,1759,
igr2=1755,1756,
/
#
# 116 LYS QD 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=1758,1759,
igr2=1761,1762,
/
#
# 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 QB 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=1752,1753,
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 QB 116 LYS 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=1752,1753,
igr2=1761,1762,
/
#
# 116 LYS HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1748, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 116 LYS H 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1752,1753,
/
#
# 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 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 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 H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1770, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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, /
#
# 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, /
#
# 115 LEU HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1731,1770, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 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=1776,1777,1778,
igr2=1277,1282,
/
#
# 83 TYR QE 102 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=1277,1282,
igr2=1565,1566,1567,
/
#
# 85 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=1305,1306,1307,
igr2=1277,1282,
/
#
# 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 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=1776,1777,1778,
/
#
# 117 ILE QG2 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1527, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 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 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=1776,1777,1778,
igr2=1533,1538,
/
#
# 117 ILE 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=1776,1777,1778,
/
#
# 101 GLU H 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 117 ILE QG2 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 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 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=1776,1777,1778,
/
#
# 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,
/
#
# 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 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=1776,1777,1778,
/
#
# 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 HA 102 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1772,1561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 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=1776,1777,1778,
/
#
# 117 ILE QG2 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 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 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 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 102 ILE 1HG1 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1565,1566,1567,
/
#
# 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 QG2 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1805, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 117 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=1776,1777,1778,
/
#
# 117 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=1776,1777,1778,
/
#
# 117 ILE HB 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE QG1 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1780,1781,
/
#
# 117 ILE QG2 115 LEU QD2 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=1742,1743,1744,
/
#
# 117 ILE QG1 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1780,1781,
/
#
# 117 ILE HA 116 LYS QB 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=1752,1753,
/
#
# 117 ILE QG1 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=1780,1781,
/
#
# 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 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 HA 117 ILE QD1 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=1783,1784,1785,
/
#
# 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 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 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 HA 117 ILE QD1 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=1783,1784,1785,
/
#
# 117 ILE HA 117 ILE QG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1780,1781,
/
#
# 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 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 QG1 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=1780,1781,
/
#
# 117 ILE QG1 117 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=1780,1781,
igr2=1783,1784,1785,
/
#
# 117 ILE QG2 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=1776,1777,1778,
igr2=1783,1784,1785,
/
#
# 117 ILE QG1 117 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=1780,1781,
igr2=1783,1784,1785,
/
#
# 117 ILE HA 117 ILE QG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1780,1781,
/
#
# 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 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1776,1777,1778,
/
#
# 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 HA 117 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1772,1770, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 101 GLU H 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1772, 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 QG1 102 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=1780,1781,
igr2=1565,1566,1567,
/
#
# 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,
/
#
# 102 ILE 1HG1 117 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1780,1781,
/
#
# 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,
/
#
# 102 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=1565,1566,1567,
/
#
# 117 ILE QG2 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=1776,1777,1778,
igr2=1783,1784,1785,
/
#
# 117 ILE QG2 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=1776,1777,1778,
igr2=1572,1573,1574,
/
#
# 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 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 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=1776,1777,1778,
/
#
# 118 THR QG2 6 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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 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 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 7 ASP H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1795,1796,1797,
/
#
# 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 100 TYR QD 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=1531,1540,
/
#
# 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 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 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 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 QG2 101 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=1551,1552,
/
#
# 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,
/
#
# 8 GLU QG 10 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= 113, 114,
igr2= 137, 138, 139,
/
#
# 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 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, /
#
# 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, /
#
# 118 THR QG2 101 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=1551,1552,
/
#
# 118 THR H 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1770, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 117 ILE QG1 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=1780,1781,
/
#
# 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 H 117 ILE QG1 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=1780,1781,
/
#
# 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, /
#
# 101 GLU HA 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1546,1789, 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 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 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 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 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1795,1796,1797,
/
#
# 118 THR H 118 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1789,1791, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 HB 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1793,1803, 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,
/
#
# 118 THR H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1803, 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,
/
#
# 118 THR QG2 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1805, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1795,1796,1797,
/
#
# 118 THR H 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1789,1805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HB 120 LYS 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=1821,1822,
/
#
# 118 THR QG2 120 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=1795,1796,1797,
igr2=1824,1825,
/
#
# 118 THR QG2 120 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=1795,1796,1797,
igr2=1818,1819,
/
#
# 118 THR QG2 120 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=1795,1796,1797,
igr2=1821,1822,
/
#
# 118 THR QG2 120 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=1795,1796,1797,
igr2=1827,1828,
/
#
# 118 THR QG2 120 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=1795,1796,1797,
igr2=1821,1822,
/
#
# 119 SER HA 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805,1525, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER HA 100 TYR QE 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=1533,1538,
/
#
# 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 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 H 119 SER 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=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 H 119 SER 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=1807,1808,
/
#
# 119 SER HA 120 LYS QG 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=1821,1822,
/
#
# 119 SER HA 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1805,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER H 121 TYR QE 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=1846,1851,
/
#
# 119 SER HA 121 TYR QE 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=1846,1851,
/
#
# 120 LYS HA 4 CYS 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 HA 4 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816, 49, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 5 TYR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1816, 58, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 120 LYS QG 99 SER 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1821,1822,
/
#
# 120 LYS QG 99 SER 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1821,1822,
/
#
# 120 LYS QB 99 SER 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1818,1819,
/
#
# 120 LYS QB 99 SER 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1818,1819,
/
#
# 120 LYS HA 118 THR QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1795,1796,1797,
/
#
# 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 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,
/
#
# 99 SER 2HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1517,1814, 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 QD 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=1824,1825,
/
#
# 120 LYS QB 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=1818,1819,
/
#
# 120 LYS HA 120 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1821,1822,
/
#
# 120 LYS QB 120 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1814, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1818,1819,
/
#
# 120 LYS HA 120 LYS QE 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=1827,1828,
/
#
# 120 LYS QG 120 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=1821,1822,
igr2=1824,1825,
/
#
# 120 LYS QB 120 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=1818,1819,
igr2=1824,1825,
/
#
# 120 LYS HA 120 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1824,1825,
/
#
# 120 LYS H 120 LYS QD 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=1824,1825,
/
#
# 120 LYS QG 120 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=1821,1822,
igr2=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 QG 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=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 QG 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=1821,1822,
igr2=1827,1828,
/
#
# 120 LYS 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=1818,1819,
igr2=1821,1822,
/
#
# 120 LYS QG 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=1821,1822,
igr2=1827,1828,
/
#
# 120 LYS 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=1818,1819,
igr2=1821,1822,
/
#
# 120 LYS 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=1818,1819,
igr2=1827,1828,
/
#
# 120 LYS HA 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816,1836, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1816,1836, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS QB 122 HIS HE1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1818,1819,
/
#
# 121 TYR 1HB 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR 2HB 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 3 PHE 1HB 3 PHE 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= 35, 43,
/
#
# 121 TYR H 4 CYS 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 CYS 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 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=1844,1853,
igr2= 68, 73,
/
#
# 121 TYR H 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1836,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 121 TYR 2HB 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 121 TYR QD 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=1844,1853,
/
#
# 121 TYR 1HB 95 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840,1443, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 121 TYR H 98 ILE 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=1499,1500,1501,
/
#
# 121 TYR QD 98 ILE QG2 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=1844,1853,
igr2=1499,1500,1501,
/
#
# 121 TYR QD 98 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1844,1853,
/
#
# 121 TYR QE 98 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=1846,1851,
igr2=1506,1507,1508,
/
#
# 121 TYR QD 98 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=1844,1853,
igr2=1506,1507,1508,
/
#
# 121 TYR H 98 ILE 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=1499,1500,1501,
/
#
# 85 ILE H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1499,1500,1501,
/
#
# 121 TYR HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1838,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS 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=1818,1819,
/
#
# 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 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 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=1844,1853,
/
#
# 121 TYR H 120 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1836, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1821,1822,
/
#
# 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 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 2HB 121 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1841,1836, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 1HB 121 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1840,1841, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR 1HB 121 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1840,1838, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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=1844,1853,
/
#
# 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 1HB 121 TYR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1840,1836, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR 2HB 121 TYR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1841,1836, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 QD 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=1844,1853,
/
#
# 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 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 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 H 121 TYR QE 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=1846,1851,
/
#
# 121 TYR 2HB 123 THR QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1880,1881,1882,
/
#
# 121 TYR QE 129 ILE QG2 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=1846,1851,
igr2=1958,1959,1960,
/
#
# 121 TYR QE 129 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1956, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1846,1851,
/
#
# 121 TYR QD 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1956, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1844,1853,
/
#
# 129 ILE H 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR QD 129 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=1844,1853,
igr2=1958,1959,1960,
/
#
# 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,
/
#
# 121 TYR QE 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1846,1851,
/
#
# 121 TYR QE 138 LYS 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=1846,1851,
igr2=2095,2096,
/
#
# 122 HIS HA 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HD2 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1870,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HD2 97 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1475,1476,
/
#
# 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 QG1 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=1503,1504,
/
#
# 122 HIS H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HD2 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1870,1512, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HD2 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1870,1814, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS H 121 TYR QE 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=1846,1851,
/
#
# 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 HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1857,1838, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 122 HIS HD2 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1870,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859,1870, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 122 HIS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1859,1857, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 HD2 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1870,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 121 TYR QE 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=1846,1851,
/
#
# 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,
/
#
# 121 TYR 1HB 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840,1857, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QB 122 HIS HE1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
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 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,
/
#
# 121 TYR 1HB 122 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840,1859, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HD2 122 HIS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1861,1862,
/
#
# 122 HIS HA 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1859,1874, 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,
/
#
# 122 HIS QB 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1861,1862,
/
#
# 121 TYR 1HB 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1840,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1857,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 3 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=1880,1881,1882,
igr2= 37, 41,
/
#
# 123 THR QG2 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1442, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
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 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 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1471, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 97 LYS QD 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=1481,1482,
/
#
# 123 THR H 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1838, 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 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 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 HB 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1878,1874, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 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 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 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 QG2 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=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 HB 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1878,1876, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HB 123 THR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1878,1874, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 127 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1931, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 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 HB 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1878, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 123 THR HB 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1878, -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,
/
#
# 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 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 HB 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1878,1941, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 128 SER H 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1941,1933, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 129 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR QG2 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR QG2 129 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1963, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1880,1881,1882,
/
#
# 123 THR HB 129 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1878, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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,
/
#
# 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 QG 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1895,1896,
/
#
# 124 LYS H 96 GLU 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=1460,1461,
/
#
# 124 LYS 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=1895,1896,
igr2=1460,1461,
/
#
# 124 LYS 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=1895,1896,
igr2=1460,1461,
/
#
# 124 LYS QG 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1895,1896,
/
#
# 124 LYS QG 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=1895,1896,
igr2=1463,1464,
/
#
# 124 LYS QG 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=1895,1896,
/
#
# 95 LEU 1HB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS H 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1471, 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, /
#
# 124 LYS H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1874, 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 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1878, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS H 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1878, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS H 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1888,1890, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS QG 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1888, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1895,1896,
/
#
# 124 LYS QG 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1888, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1895,1896,
/
#
# 124 LYS QG 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1895,1896,
/
#
# 124 LYS QG 124 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1895,1896,
/
#
# 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 HA 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1890, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1935,1936,1937,
/
#
# 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 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=1895,1896,
igr2=1898,1899,
/
#
# 124 LYS QD 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=1898,1899,
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 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 QD 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=1898,1899,
igr2=1901,1902,
/
#
# 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 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=1892,1893,
igr2=1901,1902,
/
#
# 124 LYS QD 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=1898,1899,
igr2=1892,1893,
/
#
# 127 ALA QB 124 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=1935,1936,1937,
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 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 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 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 QG 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=1895,1896,
igr2=1898,1899,
/
#
# 124 LYS QD 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=1898,1899,
igr2=1892,1893,
/
#
# 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 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 HA 125 GLY QA 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=1912,1913,
/
#
# 124 LYS QB 125 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=1892,1893,
igr2=1912,1913,
/
#
# 124 LYS QG 125 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1910, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1895,1896,
/
#
# 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 QG 127 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=1895,1896,
igr2=1935,1936,1937,
/
#
# 125 GLY H 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1892,1893,
/
#
# 125 GLY H 125 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1912,1913,
/
#
# 125 GLY H 125 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1912,1913,
/
#
# 126 ASN 2HD2 126 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1927, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1921,1922,
/
#
# 126 ASN HA 126 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1921,1922,
/
#
# 126 ASN HA 126 ASN QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1921,1922,
/
#
# 127 ALA H 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1892,1893,
/
#
# 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,
/
#
# 127 ALA H 125 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1912,1913,
/
#
# 127 ALA H 126 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931,1919, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA H 126 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1921,1922,
/
#
# 127 ALA QB 126 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=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 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 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, /
#
# 123 THR HB 127 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1878,1931, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QB 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=1935,1936,1937,
/
#
# 127 ALA HA 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
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,
/
#
# 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,
/
#
# 127 ALA QB 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=1935,1936,1937,
igr2=1965,1966,1967,
/
#
# 128 SER QB 3 PHE 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=1945,1946,
igr2= 37, 41,
/
#
# 128 SER H 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1941,1933, 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 QB 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1943, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1945,1946,
/
#
# 128 SER H 128 SER QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1941, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1945,1946,
/
#
# 128 SER H 128 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1941,1943, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 128 SER H 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1941,1952, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 128 SER QB 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=1945,1946,
/
#
# 128 SER H 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1941, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 128 SER QB 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=1945,1946,
/
#
# 129 ILE H 3 PHE QE 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= 37, 41,
/
#
# 129 ILE QD1 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=1965,1966,1967,
igr2=1945,1946,
/
#
# 129 ILE QD1 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=1965,1966,1967,
/
#
# 129 ILE QD1 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=1965,1966,1967,
igr2=1945,1946,
/
#
# 129 ILE H 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1943, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 130 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1973, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1954, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 129 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1962, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1956, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QD1 129 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1963, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE 1HG1 129 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1962,1963, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QD1 129 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE HB 129 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956,1963, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HB 129 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956,1962, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HB 129 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956,1962, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HB 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956,1954, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HB 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956,1954, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QG2 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1958,1959,1960,
/
#
# 129 ILE H 129 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1952,1954, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 129 ILE 1HG1 129 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1962,1963, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QD1 129 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1963, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE QD1 129 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE QD1 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE 1HG1 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1962, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
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 QG2 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1958,1959,1960,
/
#
# 129 ILE QD1 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=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,
/
#
# 129 ILE 2HG1 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1963, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1958,1959,1960,
/
#
# 134 ILE 2HG1 129 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=1958,1959,1960,
/
#
# 129 ILE H 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HA 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HB 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QG2 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1971, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1958,1959,1960,
/
#
# 129 ILE 1HG1 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1962,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QG2 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1971, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1958,1959,1960,
/
#
# 129 ILE HB 130 SER H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1956,1971, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 129 ILE HA 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1954,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QG2 130 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1973, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1958,1959,1960,
/
#
# 129 ILE QD1 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1971, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 134 ILE 1HG1 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HB 130 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1956,1973, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 129 ILE HB 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1956,1943, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER HA 3 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1973, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 37, 41,
/
#
# 130 SER QB 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1975,1976,
/
#
# 130 SER QB 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1975,1976,
/
#
# 130 SER QB 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1971, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1975,1976,
/
#
# 130 SER HA 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1973,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER QB 130 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1973, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1975,1976,
/
#
# 130 SER QB 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1971, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1975,1976,
/
#
# 130 SER HA 130 SER H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1973,1971, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 QB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1975,1976,
/
#
# 130 SER QB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1975,1976,
/
#
# 130 SER QB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1997, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1975,1976,
/
#
# 132 GLU HA 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999,1997, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 SER 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=1975,1976,
igr2=2019,2020,
/
#
# 131 GLU QB 130 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=1986,1987,
igr2=1975,1976,
/
#
# 131 GLU QB 130 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1973, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1986,1987,
/
#
# 131 GLU HA 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU QB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1986,1987,
/
#
# 131 GLU HA 131 GLU 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=1989,1990,
/
#
# 131 GLU QB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1986,1987,
/
#
# 131 GLU HA 131 GLU 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=1989,1990,
/
#
# 131 GLU QB 131 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=1986,1987,
igr2=1989,1990,
/
#
# 131 GLU QB 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=1986,1987,
/
#
# 131 GLU QB 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=1986,1987,
/
#
# 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 QB 131 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=1986,1987,
igr2=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 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=1986,1987,
igr2=2004,2005,
/
#
# 131 GLU QB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1997, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1986,1987,
/
#
# 131 GLU HA 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 131 GLU HA 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU HA 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU HA 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2040,2041,2042,
/
#
# 131 GLU HA 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU HA 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984, -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,
/
#
# 131 GLU HA 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1984,2038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 131 GLU QB 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1986,1987,
/
#
# 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 QB 135 LYS 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=1986,1987,
igr2=2059,2060,
/
#
# 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,
/
#
# 132 GLU H 130 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997,1973, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU H 130 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997,1973, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU H 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU H 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1997,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 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 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 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 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 HA 132 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1999, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2004,2005,
/
#
# 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 H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1999,1997, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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,
/
#
# 131 GLU QB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1997, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1986,1987,
/
#
# 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 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 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 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,
/
#
# 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,
/
#
# 132 GLU HA 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1999,2068, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 133 GLU QB 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1956, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 133 GLU QB 129 ILE QG2 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=2016,2017,
igr2=1958,1959,1960,
/
#
# 133 GLU H 130 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012,1971, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 130 SER QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2012, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1975,1976,
/
#
# 133 GLU H 131 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=1986,1987,
/
#
# 133 GLU H 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2012,1984, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 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 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 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 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, /
#
# 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, /
#
# 133 GLU H 130 SER 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=1975,1976,
/
#
# 18 LEU H 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 215, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 133 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=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 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 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 133 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=2016,2017,
/
#
# 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 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 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 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 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 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 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 QB 134 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2027, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
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 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2029, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2016,2017,
/
#
# 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,
/
#
# 133 GLU HA 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2014,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 98 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=2033,2034,2035,
igr2=1506,1507,1508,
/
#
# 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 QE 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=1846,1851,
/
#
# 134 ILE QD1 121 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=1846,1851,
/
#
# 134 ILE 2HG1 129 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2038,1956, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 134 ILE H 129 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=1958,1959,1960,
/
#
# 134 ILE QD1 129 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1963, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 134 ILE QD1 129 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 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 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=2040,2041,2042,
igr2=1965,1966,1967,
/
#
# 134 ILE QD1 129 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1956, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2040,2041,2042,
/
#
# 134 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=2040,2041,2042,
igr2=1958,1959,1960,
/
#
# 134 ILE 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=2033,2034,2035,
igr2=1958,1959,1960,
/
#
# 134 ILE HB 129 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=1958,1959,1960,
/
#
# 134 ILE 1HG1 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,1952, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QD1 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 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, /
#
# 129 ILE QD1 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=1965,1966,1967,
/
#
# 134 ILE 2HG1 129 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=1965,1966,1967,
/
#
# 134 ILE 1HG1 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE 1HG1 129 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1958,1959,1960,
/
#
# 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,
/
#
# 134 ILE QD1 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 121 TYR QD 134 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=1844,1853,
igr2=2040,2041,2042,
/
#
# 5 TYR QD 134 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= 66, 75,
igr2=2040,2041,2042,
/
#
# 134 ILE QD1 130 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1973, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
/
#
# 134 ILE H 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,1984, 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 H 134 ILE QD1 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=2040,2041,2042,
/
#
# 134 ILE H 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2038, 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 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 1HG1 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031,2038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HA 134 ILE 2HG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2029,2038, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 134 ILE H 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 134 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2031, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2040,2041,2042,
/
#
# 134 ILE HB 134 ILE 2HG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2031,2038, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 134 ILE HB 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HA 134 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2029,2031, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029,2038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HA 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 H 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2031, 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 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 HB 134 ILE QD1 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=2040,2041,2042,
/
#
# 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 H 134 ILE QD1 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=2040,2041,2042,
/
#
# 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 QG2 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=2033,2034,2035,
igr2=2040,2041,2042,
/
#
# 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 QG2 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=2033,2034,2035,
igr2=2040,2041,2042,
/
#
# 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 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=2040,2041,2042,
igr2=1958,1959,1960,
/
#
# 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 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 HB 135 LYS QG 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=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, /
#
# 137 GLY H 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2027, 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 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, /
#
# 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, /
#
# 134 ILE QG2 135 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=2033,2034,2035,
igr2=2059,2060,
/
#
# 134 ILE HA 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2029,2068, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 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=2033,2034,2035,
/
#
# 134 ILE H 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2027,2068, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2031,2068, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 138 LYS 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=2033,2034,2035,
igr2=2095,2096,
/
#
# 134 ILE QG2 138 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=2033,2034,2035,
igr2=2095,2096,
/
#
# 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 QG2 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=2033,2034,2035,
igr2=2098,2099,
/
#
# 5 TYR 2HB 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 3 PHE 2HB 134 ILE 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=2033,2034,2035,
/
#
# 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 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 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, /
#
# 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, /
#
# 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 QG 131 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=2053,2054,
igr2=1989,1990,
/
#
# 135 LYS H 134 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 134 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046,2038, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 134 ILE QD1 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=2040,2041,2042,
/
#
# 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 H 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 134 ILE QD1 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=2040,2041,2042,
/
#
# 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,
/
#
# 138 LYS H 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2033,2034,2035,
/
#
# 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 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 HA 135 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=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 HA 135 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=2053,2054,
/
#
# 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 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 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 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2046,2031, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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=2053,2054,
igr2=2056,2057,
/
#
# 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 H 135 LYS QB 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=2050,2051,
/
#
# 135 LYS H 135 LYS QB 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=2050,2051,
/
#
# 135 LYS QG 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=2053,2054,
igr2=2050,2051,
/
#
# 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 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=2050,2051,
igr2=2098,2099,
/
#
# 135 LYS 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=2053,2054,
igr2=2059,2060,
/
#
# 135 LYS QG 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=2053,2054,
igr2=2050,2051,
/
#
# 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 HA 138 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=2095,2096,
/
#
# 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 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 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 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=2053,2054,
igr2=2056,2057,
/
#
# 135 LYS 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=2050,2051,
/
#
# 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 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 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=2098,2099,
/
#
# 135 LYS HA 138 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=2098,2099,
/
#
# 135 LYS HA 138 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=2095,2096,
/
#
# 135 LYS QG 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=2053,2054,
igr2=2098,2099,
/
#
# 135 LYS 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=2053,2054,
igr2=2059,2060,
/
#
# 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 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, /
#
# 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 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2068,2070, 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 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 H 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2068,2070, 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 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 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,
/
#
# 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 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 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,
/
#
# 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,
/
#
# 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 H 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085,2068, 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 QB 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2078, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2089,2090,
/
#
# 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 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 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 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 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 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 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 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 QD 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2095,2096,
/
#
# 138 LYS H 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085,2087, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS H 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085,2070, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS QB 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2089,2090,
/
#
# 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 QB 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2089,2090,
/
#
# 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 QD 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2095,2096,
/
#
# 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 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,
/
#
# 5 TYR 2HB 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2095,2096,
/
#
# 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 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 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,
/
#
# 135 LYS QG 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=2053,2054,
igr2=2098,2099,
/
#
# 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 H 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2085,2087, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2087, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 H 139 GLU 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=2111,2112,
/
#
# 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,
/
#
# 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,
/
#
# 139 GLU 1HG 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114,2070, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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,
/
#
# 133 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=2016,2017,
/
#
# 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2087, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 138 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
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 HA 138 LYS QG 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=2092,2093,
/
#
# 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 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 H 139 GLU 2HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2107,2115, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 H 139 GLU 1HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2107,2114, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 1HG 139 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2114,2109, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 139 GLU HA 139 GLU 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=2111,2112,
/
#
# 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 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2124, 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 H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2107,2124, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU H 140 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=2126,2127,
/
#
# 139 GLU 1HG 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114,2124, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU 2HG 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2115,2124, 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 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 140 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=2126,2127,
/
#
# 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 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 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 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, /
#
# 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, /
#
# 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, /
#
# 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 1HG 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2114, -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 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 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2156, 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, /
#
# 139 GLU HA 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2109,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2109, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2070, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS QB 137 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=2126,2127,
igr2=2080,2081,
/
#
# 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,
/
#
# 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,
/
#
# 140 LYS QB 137 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=2126,2127,
igr2=2080,2081,
/
#
# 140 LYS H 139 GLU 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=2111,2112,
/
#
# 140 LYS HA 139 GLU 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=2111,2112,
/
#
# 139 GLU HA 139 GLU 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=2111,2112,
/
#
# 140 LYS HA 139 GLU 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=2111,2112,
/
#
# 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 QB 140 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=2126,2127,
igr2=2132,2133,
/
#
# 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 QG 140 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=2129,2130,
igr2=2132,2133,
/
#
# 140 LYS HA 140 LYS QD 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=2132,2133,
/
#
# 140 LYS H 140 LYS QD 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=2132,2133,
/
#
# 140 LYS QG 140 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=2129,2130,
igr2=2132,2133,
/
#
# 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 QB 140 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=2126,2127,
igr2=2132,2133,
/
#
# 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 HA 140 LYS QD 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=2132,2133,
/
#
# 140 LYS 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=2126,2127,
igr2=2129,2130,
/
#
# 140 LYS QD 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=2132,2133,
igr2=2135,2136,
/
#
# 140 LYS H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2124, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2164, 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 QD 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=2132,2133,
igr2=2135,2136,
/
#
# 140 LYS HA 140 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2124, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2135,2136,
/
#
# 140 LYS 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=2126,2127,
igr2=2129,2130,
/
#
# 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,
/
#
# 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 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 H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2124, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2109, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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=2126,2127,
/
#
# 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 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=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 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS QG 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=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 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, /
#
# 141 ALA H 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA H 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS QG 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=2129,2130,
/
#
# 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,
/
#
# 140 LYS QB 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2126,2127,
/
#
# 140 LYS QB 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2177, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1=2126,2127,
/
#
# 141 ALA QB 85 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=1312,1313,1314,
/
#
# 141 ALA H 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144,2087, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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,
/
#
# 136 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=2072,2073,2074,
/
#
# 141 ALA H 140 LYS QD 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=2132,2133,
/
#
# 141 ALA H 140 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2144, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2129,2130,
/
#
# 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 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 H 140 LYS QG 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=2129,2130,
/
#
# 141 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=2148,2149,2150,
/
#
# 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 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,
/
#
# 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,
/
#
# 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,
/
#
# 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,
/
#
# 141 ALA HA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA HA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA HA 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA HA 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA HA 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA HA 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2175, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS HA 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2124,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 147 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=2236,2237,2238,
/
#
# 141 ALA HA 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA HA 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2146,2175, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1=2148,2149,2150,
igr2=2198,2206,
/
#
# 142 ALA HA 117 ILE QD1 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=1783,1784,1785,
/
#
# 142 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=2158,2159,2160,
/
#
# 141 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=2148,2149,2150,
/
#
# 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,
/
#
# 143 GLY H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 142 ALA H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 142 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=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,
/
#
# 142 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=2158,2159,2160,
igr2=2166,2167,
/
#
# 142 ALA HA 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA H 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA H 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA H 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY H 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA QB 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2158,2159,2160,
/
#
# 141 ALA H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 142 ALA HA 145 PHE QD 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=2198,2206,
/
#
# 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 QB 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=2194,2195,
/
#
# 142 ALA HA 145 PHE QB 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=2194,2195,
/
#
# 142 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=2158,2159,2160,
igr2=2194,2195,
/
#
# 143 GLY H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 141 ALA QB 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2164, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 143 GLY H 143 GLY QA 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=2166,2167,
/
#
# 143 GLY H 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY H 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2175, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY H 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY H 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA H 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2144,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 143 GLY QA 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=2166,2167,
igr2=2217,2218,
/
#
# 144 LEU QD2 140 LYS 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=2184,2185,2186,
igr2=2135,2136,
/
#
# 144 LEU QD1 140 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=2180,2181,2182,
igr2=2132,2133,
/
#
# 144 LEU HG 140 LYS QE 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=2135,2136,
/
#
# 144 LEU QD1 140 LYS 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=2180,2181,2182,
igr2=2135,2136,
/
#
# 144 LEU QD2 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=2184,2185,2186,
igr2=2129,2130,
/
#
# 147 ALA QB 144 LEU QD2 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=2184,2185,2186,
/
#
# 141 ALA QB 144 LEU QD2 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=2184,2185,2186,
/
#
# 144 LEU QD2 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=2184,2185,2186,
/
#
# 144 LEU QQD 141 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2177,2146, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 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 QD2 144 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2184,2185,2186,
/
#
# 144 LEU QD1 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=2180,2181,2182,
/
#
# 144 LEU HG 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2178,2173, 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 H 144 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2171,2178, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 144 LEU QD2 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=2184,2185,2186,
/
#
# 144 LEU QD1 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=2180,2181,2182,
/
#
# 144 LEU 2HB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2176,2178, 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 QQD 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177,2171, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU 2HB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2176,2178, 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 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2177,2173, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU QD2 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=2184,2185,2186,
/
#
# 144 LEU QD2 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=2184,2185,2186,
/
#
# 144 LEU QD1 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=2180,2181,2182,
/
#
# 144 LEU HG 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2178,2173, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 2HB 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2176, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2198,2206,
/
#
# 144 LEU 1HB 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2175,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 2HB 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2176,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QD1 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=2180,2181,2182,
igr2=2200,2204,
/
#
# 145 PHE HA 30 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 460, 461, 462,
/
#
# 145 PHE HA 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192,2173, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE HA 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192,2171, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA H 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2192, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2190, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2198,2206,
/
#
# 145 PHE QD 145 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=2198,2206,
igr2=2200,2204,
/
#
# 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 QD 145 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=2198,2206,
igr2=2200,2204,
/
#
# 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 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 H 145 PHE QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2190, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
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 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 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 146 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2192,2210, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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,
/
#
# 145 PHE HA 147 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2236,2237,2238,
/
#
# 145 PHE HA 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192,2246, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE HA 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192,2246, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE HA 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2248,2249,2250,
/
#
# 145 PHE HA 148 VAL QQG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr2=2252,2253,2254,2248,2249,2250,
/
#
# 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 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 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,
/
#
# 143 GLY H 143 GLY QA 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=2166,2167,
/
#
# 146 LYS H 145 PHE 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=2198,2206,
/
#
# 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 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 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, /
#
# 142 ALA H 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY H 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 145 PHE 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=2198,2206,
/
#
# 142 ALA H 145 PHE QD 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=2198,2206,
/
#
# 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 H 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2212, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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=2214,2215,
igr2=2217,2218,
/
#
# 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 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 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=2214,2215,
igr2=2217,2218,
/
#
# 146 LYS QB 146 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=2214,2215,
igr2=2223,2224,
/
#
# 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 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 HA 146 LYS QE 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=2223,2224,
/
#
# 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 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 H 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2212, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 146 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2220,2221,
/
#
# 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 QD 146 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=2220,2221,
igr2=2223,2224,
/
#
# 146 LYS QG 146 LYS 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=2217,2218,
igr2=2223,2224,
/
#
# 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 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 QG 146 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=2217,2218,
igr2=2223,2224,
/
#
# 146 LYS QD 146 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=2220,2221,
igr2=2223,2224,
/
#
# 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 HA 149 GLU 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=2262,2263,
/
#
# 146 LYS HA 149 GLU 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=2265,2266,
/
#
# 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 HA 149 GLU 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=2262,2263,
/
#
# 146 LYS QG 149 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=2217,2218,
igr2=2262,2263,
/
#
# 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 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=2236,2237,2238,
igr2= 512, 513, 514,
/
#
# 147 ALA H 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2= 512, 513, 514, 508, 509, 510,
/
#
# 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 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 H 143 GLY QA 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=2166,2167,
/
#
# 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,
/
#
# 147 ALA H 144 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2232,2173, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 QB 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.71, r4=10.21,
igr1=2236,2237,2238,
igr2= 512, 513, 514, 508, 509, 510,
/
#
# 147 ALA QB 30 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=2236,2237,2238,
igr2= 453, 454, 455,
/
#
# 147 ALA QB 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2236,2237,2238,
/
#
# 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 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2148,2149,2150,
/
#
# 147 ALA H 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2212, 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 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 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 H 146 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2232,2212, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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, /
#
# 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, /
#
# 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,
/
#
# 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,
/
#
# 147 ALA H 146 LYS QG 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=2217,2218,
/
#
# 147 ALA H 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA H 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA H 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 147 ALA H 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2277,2278,2279,
/
#
# 147 ALA H 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA H 148 VAL QG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2248,2249,2250,
/
#
# 147 ALA QB 148 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=2236,2237,2238,
igr2=2252,2253,2254,
/
#
# 147 ALA QB 148 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.71, r4=10.21,
igr1=2236,2237,2238,
igr2=2252,2253,2254,2248,2249,2250,
/
#
# 147 ALA H 148 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=2252,2253,2254,2248,2249,2250,
/
#
# 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, /
#
# 150 ALA H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA H 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2277,2278,2279,
/
#
# 147 ALA H 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 147 ALA H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2273, 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, /
#
# 147 ALA HA 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2277,2278,2279,
/
#
# 147 ALA HA 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 147 ALA HA 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2283,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG1 22 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=2248,2249,2250,
igr2= 333, 341,
/
#
# 148 VAL QQG 29 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2252,2253,2254,2248,2249,2250,
/
#
# 148 VAL QG2 29 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2252,2253,2254,
/
#
# 148 VAL QQG 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2252,2253,2254,2248,2249,2250,
/
#
# 148 VAL QG1 30 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=2248,2249,2250,
igr2= 453, 454, 455,
/
#
# 148 VAL QG1 30 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=2248,2249,2250,
igr2= 460, 461, 462,
/
#
# 148 VAL QG1 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.71, r4=10.21,
igr1=2248,2249,2250,
igr2= 512, 513, 514, 508, 509, 510,
/
#
# 148 VAL H 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242, 506, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2= 512, 513, 514, 508, 509, 510,
/
#
# 148 VAL HA 33 VAL QG2 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= 512, 513, 514,
/
#
# 33 VAL QG2 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 512, 513, 514,
/
#
# 148 VAL QQG 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2252,2253,2254,2248,2249,2250,
/
#
# 148 VAL HA 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2= 512, 513, 514, 508, 509, 510,
/
#
# 148 VAL QG1 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=2248,2249,2250,
/
#
# 148 VAL QG1 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=2248,2249,2250,
/
#
# 148 VAL HB 145 PHE QE 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=2200,2204,
/
#
# 148 VAL HB 145 PHE QB 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=2194,2195,
/
#
# 148 VAL QG1 145 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=2248,2249,2250,
igr2=2198,2206,
/
#
# 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 146 LYS 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=2214,2215,
/
#
# 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 HA 147 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
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 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, /
#
# 147 ALA H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2232,2273, 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,
/
#
# 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,
/
#
# 148 VAL HB 148 VAL QG2 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=2252,2253,2254,
/
#
# 148 VAL HB 148 VAL QG1 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=2248,2249,2250,
/
#
# 148 VAL QG2 148 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=2252,2253,2254,
igr2=2248,2249,2250,
/
#
# 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 H 148 VAL QG1 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=2248,2249,2250,
/
#
# 148 VAL H 148 VAL QG2 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=2252,2253,2254,
/
#
# 148 VAL HB 148 VAL QG2 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=2252,2253,2254,
/
#
# 148 VAL H 148 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2242,2244, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 148 VAL QG2 148 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=2252,2253,2254,
igr2=2248,2249,2250,
/
#
# 148 VAL HA 148 VAL QG2 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=2252,2253,2254,
/
#
# 149 GLU HA 148 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=2252,2253,2254,
/
#
# 148 VAL QG2 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2252,2253,2254,
/
#
# 148 VAL HA 148 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=2252,2253,2254,2248,2249,2250,
/
#
# 148 VAL H 148 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=2252,2253,2254,2248,2249,2250,
/
#
# 148 VAL HA 148 VAL QG1 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=2248,2249,2250,
/
#
# 149 GLU HA 148 VAL QG1 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=2248,2249,2250,
/
#
# 148 VAL QG1 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2248,2249,2250,
/
#
# 148 VAL HB 148 VAL QG1 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=2248,2249,2250,
/
#
# 148 VAL QG1 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2308, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2248,2249,2250,
/
#
# 33 VAL HB 148 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=2248,2249,2250,
/
#
# 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 QG2 149 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=2252,2253,2254,
igr2=2265,2266,
/
#
# 148 VAL QG1 149 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=2248,2249,2250,
igr2=2265,2266,
/
#
# 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 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 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, /
#
# 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, /
#
# 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 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 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=2252,2253,2254,
igr2=2291,2300,
/
#
# 148 VAL QG1 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=2248,2249,2250,
igr2=2291,2300,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QQG 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.08, r4= 9.58,
igr1=2252,2253,2254,2248,2249,2250,
igr2=2291,2300,
/
#
# 148 VAL HA 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2192, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2192, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2212, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 146 LYS QG 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=2217,2218,
/
#
# 149 GLU H 146 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2258,2212, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 149 GLU H 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2234, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 148 VAL QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2258, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2252,2253,2254,
/
#
# 149 GLU H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2246, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 148 VAL QG1 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=2248,2249,2250,
/
#
# 149 GLU H 148 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr2=2252,2253,2254,2248,2249,2250,
/
#
# 149 GLU H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2246, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 149 GLU QG 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=2265,2266,
/
#
# 149 GLU H 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 149 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2262,2263,
/
#
# 149 GLU H 149 GLU 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=2262,2263,
/
#
# 149 GLU HA 149 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2262,2263,
/
#
# 149 GLU H 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2260, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 149 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2265,2266,
/
#
# 149 GLU QG 149 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=2265,2266,
igr2=2262,2263,
/
#
# 149 GLU HA 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2265,2266,
/
#
# 149 GLU QG 149 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=2265,2266,
igr2=2262,2263,
/
#
# 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 QB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2275, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2262,2263,
/
#
# 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 HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2273, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 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 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 H 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2258,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2260,2304, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 149 GLU HA 153 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2260,2323, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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, /
#
# 150 ALA H 149 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2262,2263,
/
#
# 150 ALA QB 149 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=2277,2278,2279,
igr2=2262,2263,
/
#
# 150 ALA H 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2265,2266,
/
#
# 150 ALA H 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2214,2215,
/
#
# 150 ALA H 149 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2262,2263,
/
#
# 150 ALA H 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2265,2266,
/
#
# 148 VAL H 149 GLU QG 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=2265,2266,
/
#
# 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 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 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 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,
/
#
# 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,
/
#
# 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 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 H 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2273, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2287,2288,
/
#
# 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,
/
#
# 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,
/
#
# 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,
/
#
# 147 ALA HA 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2277,2278,2279,
/
#
# 147 ALA HA 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2236,2237,2238,
/
#
# 150 ALA HA 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2275,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA HA 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2275,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA HA 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2275,2327, 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, /
#
# 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 6.50
&rst
ixpk= 0, nxpk= 0, iat=2283,2275, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 151 TYR QD 151 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=2291,2300,
igr2=2293,2298,
/
#
# 151 TYR QD 151 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=2291,2300,
igr2=2287,2288,
/
#
# 151 TYR QD 151 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=2291,2300,
igr2=2293,2298,
/
#
# 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 H 151 TYR QB 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=2287,2288,
/
#
# 151 TYR H 151 TYR QB 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=2287,2288,
/
#
# 151 TYR QD 151 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2291,2300,
/
#
# 151 TYR H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2283,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR QD 151 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=2291,2300,
igr2=2287,2288,
/
#
# 151 TYR HA 151 TYR QB 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=2287,2288,
/
#
# 151 TYR QE 151 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2293,2298,
/
#
# 151 TYR HA 155 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR HA 151 TYR QB 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=2287,2288,
/
#
# 151 TYR QE 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2293,2298,
/
#
# 151 TYR H 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2283,2308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR QE 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2293,2298,
/
#
# 151 TYR QD 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2291,2300,
/
#
# 151 TYR H 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2283,2342, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR H 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2283,2342, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 151 TYR HA 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2344, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 151 TYR QE 155 HIS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2356, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2293,2298,
/
#
# 151 TYR QE 155 HIS 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2357, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2293,2298,
/
#
# 151 TYR QE 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2293,2298,
/
#
# 151 TYR QD 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=2291,2300,
/
#
# 159 TYR QD 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=2417,2426,
/
#
# 152 LEU HG 13 ILE QG1 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= 182, 183,
/
#
# 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 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 H 151 TYR QE 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=2293,2298,
/
#
# 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 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 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 QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2304, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2287,2288,
/
#
# 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 HG 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2306, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HG 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2308,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2310, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 2HB 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2309,2310, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU HG 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2304, 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 HG 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2306, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2306,2308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2308,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HG 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2308,2310, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU HA 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2306,2310, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU H 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2323, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2323, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HG 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2309,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2304,2329, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU HG 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2308,2330, 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 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 HG 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2342, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2308, 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 HG 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2379, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HG 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2379, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HB 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2377,2379, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2306,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HG 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 152 LEU H 160 CYS QB 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=2434,2435,
/
#
# 152 LEU 2HB 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2309,2430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR QG2 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2430, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 152 LEU HG 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2308,2430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QQD 149 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2262,2263,
/
#
# 153 LEU QD1 149 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=2332,2333,2334,
igr2=2262,2263,
/
#
# 153 LEU QD1 156 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=2332,2333,2334,
igr2=2373,2374,
/
#
# 153 LEU QD2 149 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=2336,2337,2338,
igr2=2262,2263,
/
#
# 153 LEU QD2 156 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=2336,2337,2338,
igr2=2373,2374,
/
#
# 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 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 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 QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2291,2300,
/
#
# 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 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 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 H 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HG 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2311,2323, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 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 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 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QD2 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=2336,2337,2338,
/
#
# 153 LEU QD1 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=2332,2333,2334,
/
#
# 153 LEU H 153 LEU QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2323, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2332,2333,2334,
/
#
# 153 LEU 1HB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 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 H 153 LEU QD2 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=2336,2337,2338,
/
#
# 153 LEU QD1 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2325, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2332,2333,2334,
/
#
# 153 LEU H 153 LEU 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2323,2327, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 153 LEU QD2 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2325, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2336,2337,2338,
/
#
# 153 LEU 1HB 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QD1 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=2332,2333,2334,
/
#
# 153 LEU QD1 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2330, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2332,2333,2334,
/
#
# 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 HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2323,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 1HB 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2327,2330, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QD2 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2330, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2336,2337,2338,
/
#
# 153 LEU QD2 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=2336,2337,2338,
/
#
# 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 HA 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325,2328, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QQD 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329,2327, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU QQD 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2329,2325, 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 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 HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 152 LEU 2HB 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2309,2325, 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 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 HA 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 153 LEU HA 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2325, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 154 ALA H 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2291,2300,
/
#
# 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 151 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2342,2285, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 154 ALA H 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2306, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 QD2 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=2336,2337,2338,
/
#
# 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 QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2342, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2332,2333,2334,
/
#
# 154 ALA H 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2330, 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 QB 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2344, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 154 ALA H 154 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2342,2344, 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 QB 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2344, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=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 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 155 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2342,2365, 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 QB 155 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2365, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 154 ALA QB 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=2346,2347,2348,
/
#
# 155 HIS 2HB 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2357, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 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, /
#
# 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 H 151 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2352,2285, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 155 HIS H 151 TYR QE 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=2293,2298,
/
#
# 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 H 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2306, 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 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 H 154 ALA QB 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=2346,2347,2348,
/
#
# 155 HIS H 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2344, 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 HD2 155 HIS HE1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2365,2361, 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 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 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 1HB 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2356,2357, 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 1HB 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2356,2357, 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 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 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 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 H 156 PRO 1HD 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 H 156 PRO 1HD 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 HA 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2354,2379, 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2356,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS HA 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2354,2383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS HA 157 ASP H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2354,2383, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 155 HIS HA 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2354, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2387,2388,
/
#
# 155 HIS H 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 1HB 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2356,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 2HB 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2357, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 155 HIS 1HB 158 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2401,2402,2403,
/
#
# 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,
/
#
# 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 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2309, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 154 ALA QB 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=2346,2347,2348,
/
#
# 156 PRO 1HD 154 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2370,2344, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 1HD 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 1HD 155 HIS 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2370,2357, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO 2HD 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370,2377, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HD 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370,2377, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HD 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 156 PRO 2HB 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2377, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 156 PRO 1HB 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2376,2377, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HB 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2376,2377, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HD 156 PRO 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2370,2377, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO 2HB 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2377,2379, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 156 PRO 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2370,2376, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO 1HB 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2376,2379, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HB 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2376,2379, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HD 156 PRO HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2370,2379, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO 1HD 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 156 PRO 1HD 156 PRO 2HD 1.85 6.00
#This appears to be self-referential: ignoring
#
# 156 PRO 2HD 156 PRO 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2370,2377, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO 1HD 156 PRO 2HD 1.85 6.00
#This appears to be self-referential: ignoring
#
# 156 PRO 2HB 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2377, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 156 PRO QG 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2379, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2373,2374,
/
#
# 156 PRO 1HB 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2376, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 156 PRO 1HB 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2376, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 156 PRO 2HD 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 156 PRO 2HD 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2373,2374,
/
#
# 156 PRO QG 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2379, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2373,2374,
/
#
# 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 1HD 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2370,2395, 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, /
#
# 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 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2376, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP H 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2379, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 6.50
&rst
ixpk= 0, nxpk= 0, iat=2383,2377, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 QB 157 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2385, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2387,2388,
/
#
# 157 ASP QB 157 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2385, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2387,2388,
/
#
# 157 ASP QB 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2387,2388,
/
#
# 157 ASP H 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP H 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP HA 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2385,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP H 158 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2383,2397, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP HA 158 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2385,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP QB 158 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2397, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2387,2388,
/
#
# 157 ASP HA 159 TYR QE 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=2419,2424,
/
#
# 157 ASP HA 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2385,2409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP HA 159 TYR QD 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=2417,2426,
/
#
# 157 ASP QB 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=2387,2388,
igr2=2419,2424,
/
#
# 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 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 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 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 H 158 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2399, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2397, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=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 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2397, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 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 H 159 TYR QD 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=2417,2426,
/
#
# 158 THR QG2 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2409, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2401,2402,2403,
/
#
# 158 THR H 159 TYR QE 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=2419,2424,
/
#
# 158 THR H 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR HB 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2399,2409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR HA 159 TYR QD 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=2417,2426,
/
#
# 158 THR HA 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2397,2409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 THR HB 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2399,2430, 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, /
#
# 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 QD 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2409, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2417,2426,
/
#
# 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 QE 159 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2413, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2419,2424,
/
#
# 159 TYR QD 159 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2413, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2417,2426,
/
#
# 159 TYR H 159 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2409,2414, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 159 TYR QD 159 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2414, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2417,2426,
/
#
# 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 HA 159 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2411,2414, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 159 TYR HA 159 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2411,2413, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 159 TYR QD 159 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2411, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2417,2426,
/
#
# 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 QE 159 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2414, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2419,2424,
/
#
# 159 TYR 1HB 159 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2413,2414, 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, /
#
# 158 THR HB 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2399,2409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2409,2430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2409,2430, 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 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2430,2414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 160 CYS H 159 TYR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2430,2411, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 H 160 CYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2430,2432, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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,
/
#
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