NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
656028 |
6y3h   |
27965 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: Cora10401_amber_restraints.rst
#
# 1 GLY QA 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 13, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
rk2=100.0, rk3=100.0, ir6=1, ialtd=0,
igr1= 6, 7,
/
#
# 1 GLY QA 122 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1866, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 6, 7,
/
#
# 1 GLY QA 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= 6, 7,
igr2=1965,1966,1967,
/
#
# 128 SER QB 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=1952,1953,
igr2=1965,1966,1967,
/
#
# 1 GLY QA 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1963, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 6, 7,
/
#
# 128 SER QB 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1963, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 2 VAL H 1 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 6, 7,
/
#
# 2 VAL H 1 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 6, 7,
/
#
# 2 VAL H 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 11, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HA 2 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 15, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HB 2 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 17, 18, 19,
/
#
# 2 VAL HB 2 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 17, 18, 19,
/
#
# 2 VAL HA 2 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 17, 18, 19,
/
#
# 2 VAL HA 2 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 21, 22, 23,
/
#
# 2 VAL HB 2 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 21, 22, 23,
/
#
# 2 VAL H 120 LYS 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 11,1826, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 2 VAL 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= 21, 22, 23,
igr2=1834,1835,
/
#
# 2 VAL 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= 21, 22, 23,
igr2=1831,1832,
/
#
# 2 VAL 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= 21, 22, 23,
igr2=1834,1835,
/
#
# 2 VAL HA 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HA 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL QG2 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1845, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 21, 22, 23,
/
#
# 2 VAL QG1 122 HIS HE1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1873, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 17, 18, 19,
/
#
# 2 VAL HA 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 2 VAL QG2 122 HIS HE1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1873, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 21, 22, 23,
/
#
# 2 VAL HA 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13,1881, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HA 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1887,1888,1889,
/
#
# 123 THR QG2 94 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 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 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 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= 21, 22, 23,
/
#
# 3 PHE 2HB 2 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, 15, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 3 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 35, 43,
/
#
# 3 PHE H 3 PHE 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 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE HA 3 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 31, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE QD 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 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 QD 3 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 31, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 35, 43,
/
#
# 3 PHE HA 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 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 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 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, /
#
# 4 CYS H 5 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 63, 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 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 1HB 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 2HB 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 1HB 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 5 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, 60, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 2HB 5 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63, 60, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 120 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1823, 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= 27,1843, 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= 27,1843, 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= 27,1845, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31,1845, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS QB 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1845, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1868,1869,
/
#
# 3 PHE H 122 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1864, 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= 27,1866, 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=1887,1888,1889,
/
#
# 3 PHE H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27,1881, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE H 129 ILE QD1 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=1972,1973,1974,
/
#
# 3 PHE 1HB 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 3 PHE 1HB 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31,1961, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 1HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1972,1973,1974,
/
#
# 3 PHE 1HB 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 3 PHE 1HB 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 31,1959, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32,1959, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 129 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1972,1973,1974,
/
#
# 3 PHE 2HB 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2050,2051,2052,
/
#
# 130 ASN 2HB 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2050,2051,2052,
/
#
# 134 ILE QD1 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=2050,2051,2052,
igr2=2108,2109,
/
#
# 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 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 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 6.00
&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 5 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 62, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 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 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 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=1802,1803,1804,
/
#
# 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=1834,1835,
/
#
# 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=1828,1829,
/
#
# 4 CYS HA 120 LYS 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 49,1826, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 4 CYS HA 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 4 CYS H 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2105,2106,
/
#
# 5 TYR H 5 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 66, 75,
/
#
# 5 TYR H 5 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, 60, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 1HB 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 3 PHE 2HB 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 1HB 5 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 60, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HA 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 2HB 5 TYR QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 63, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 68, 73,
/
#
# 5 TYR H 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 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 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 H 6 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, 79, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR 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 HA 6 GLU QG 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= 86, 87,
/
#
# 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=1802,1803,1804,
/
#
# 5 TYR HA 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60,1798, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1802,1803,1804,
/
#
# 5 TYR 2HB 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 63,1810, 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= 62,1810, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58,1810, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR H 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 5 TYR H 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58,1810, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR QD 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 66, 75,
/
#
# 5 TYR H 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 5 TYR QD 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= 66, 75,
igr2=1814,1815,
/
#
# 5 TYR HA 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 5 TYR H 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 58,1821, 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=1519,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 5 TYR HA 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1834,1835,
/
#
# 5 TYR 1HB 134 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2043,2044,2045,
/
#
# 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=2043,2044,2045,
igr2=2069,2070,
/
#
# 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=2043,2044,2045,
/
#
# 5 TYR HA 138 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2105,2106,
/
#
# 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=2105,2106,
/
#
# 5 TYR HA 138 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2099,2100,
/
#
# 5 TYR 1HB 138 LYS QB 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=2099,2100,
/
#
# 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=2099,2100,
igr2=2108,2109,
/
#
# 5 TYR HA 138 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2102,2103,
/
#
# 5 TYR 1HB 138 LYS QD 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=2105,2106,
/
#
# 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=2105,2106,
igr2=2108,2109,
/
#
# 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 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 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 H 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 83, 84,
/
#
# 6 GLU QG 6 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 86, 87,
igr2= 83, 84,
/
#
# 6 GLU QG 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 GLU QB 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU H 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, 94, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU QB 7 ASP HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 83, 84,
/
#
# 8 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= 110, 111,
/
#
# 6 GLU QB 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU QB 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 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=1759,1760,
/
#
# 6 GLU QG 116 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1757, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 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= 86, 87,
igr2=1768,1769,
/
#
# 5 TYR 1HB 6 GLU QG 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= 86, 87,
/
#
# 6 GLU HA 117 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1790,1791,1792,
/
#
# 6 GLU HA 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81,1800, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HA 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798,1800, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HB 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1800,1532, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU QG 118 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1798, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 86, 87,
/
#
# 6 GLU QB 118 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1798, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 83, 84,
/
#
# 6 GLU QB 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1798, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 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 QG 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1800, 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= -1,1810, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 86, 87,
/
#
# 6 GLU QB 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 6 GLU HA 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81,1810, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU H 119 SER QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1814,1815,
/
#
# 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 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94,1798, 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, /
#
# 6 GLU HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP H 7 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 98, 99,
/
#
# 7 ASP 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 HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP H 7 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 98, 99,
/
#
# 7 ASP QB 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 98, 99,
/
#
# 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 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 H 116 LYS 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=1762,1763,
/
#
# 116 LYS QG 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1762,1763,
/
#
# 116 LYS QG 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1762,1763,
/
#
# 7 ASP QB 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= 98, 99,
igr2=1790,1791,1792,
/
#
# 7 ASP QB 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 98, 99,
/
#
# 7 ASP H 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94,1781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE HB 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1781,1777, 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=1783,1784,1785,
/
#
# 101 GLU H 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 117 ILE QG2 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 7 ASP QB 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 98, 99,
/
#
# 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 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94,1810, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU H 7 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, 96, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 6 GLU H 7 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 79, 96, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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,
/
#
# 6 GLU QB 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 106, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 83, 84,
/
#
# 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 HA 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 8 GLU H 8 GLU 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 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 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 H 9 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, 123, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU H 7 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 106, 96, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108,1736, 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=1609,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU HA 115 LEU QD1 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=1745,1746,1747,
/
#
# 115 LEU QD1 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1745,1746,1747,
/
#
# 8 GLU H 116 LYS 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=1762,1763,
/
#
# 105 ALA H 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1628,1629,1630,
/
#
# 106 ALA QB 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 8 GLU H 116 LYS QD 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=1765,1766,
/
#
# 8 GLU H 116 LYS 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=1759,1760,
/
#
# 104 MET H 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 8 GLU QB 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= 110, 111,
igr2=1762,1763,
/
#
# 8 GLU 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= 110, 111,
igr2=1768,1769,
/
#
# 8 GLU HA 116 LYS 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=1762,1763,
/
#
# 104 MET HA 116 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1762,1763,
/
#
# 8 GLU 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= 110, 111,
igr2=1768,1769,
/
#
# 6 GLU 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= 83, 84,
igr2=1768,1769,
/
#
# 8 GLU H 116 LYS QE 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=1768,1769,
/
#
# 8 GLU QB 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= 110, 111,
igr2=1762,1763,
/
#
# 6 GLU QB 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= 83, 84,
igr2=1762,1763,
/
#
# 8 GLU HA 116 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 108,1757, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 8 GLU H 116 LYS 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=1762,1763,
/
#
# 8 GLU HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU HA 117 ILE QD1 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=1790,1791,1792,
/
#
# 9 ALA H 8 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 108, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 106, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 110, 111,
/
#
# 9 ALA H 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 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 QB 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 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,
/
#
# 9 ALA QB 10 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 116 LYS HA 9 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 125, 126, 127,
/
#
# 9 ALA QB 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 9 ALA H 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121,1721, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121,1719, 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= 121,1738, 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= 121,1757, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 115 LEU H 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 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=1745,1746,1747,
/
#
# 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=1749,1750,1751,
/
#
# 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=1745,1746,1747,
/
#
# 9 ALA H 115 LEU QD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1749,1750,1751,
/
#
# 115 LEU QD2 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1749,1750,1751,
/
#
# 9 ALA H 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121,1743, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS H 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1755,1743, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 9 ALA H 116 LYS 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=1759,1760,
/
#
# 116 LYS QB 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1759,1760,
/
#
# 116 LYS QB 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1759,1760,
/
#
# 9 ALA H 117 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=1790,1791,1792,
/
#
# 9 ALA QB 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 125, 126, 127,
/
#
# 9 ALA QB 146 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 125, 126, 127,
igr2=2233,2234,
/
#
# 9 ALA QB 146 LYS QG 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= 125, 126, 127,
igr2=2227,2228,
/
#
# 10 THR HA 9 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 123, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR H 10 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, 133, 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 HB 10 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 137, 138, 139,
/
#
# 10 THR HB 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1648,1649,1650,
/
#
# 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 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 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 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 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, /
#
# 115 LEU HA 11 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, 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 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,
/
#
# 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 HA 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 133, 149, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR 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,
/
#
# 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 HA 11 SER H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 133, 145, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 10 THR H 10 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, 133, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR QG2 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 137, 138, 139,
/
#
# 107 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 10 THR QG2 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 137, 138, 139,
/
#
# 107 ALA QB 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 10 THR QG2 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= 137, 138, 139,
igr2=1655,1656,
/
#
# 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=1648,1649,1650,
igr2=1655,1656,
/
#
# 10 THR HB 109 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135,1670, 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= 133,1706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 10 THR H 114 ILE 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=1723,1724,1725,
/
#
# 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=1727,1728,
/
#
# 10 THR HB 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1730,1731,1732,
/
#
# 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=1730,1731,1732,
/
#
# 10 THR HA 114 ILE QG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1727,1728,
/
#
# 10 THR HA 114 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1730,1731,1732,
/
#
# 10 THR HB 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 114 ILE QG2 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 10 THR H 115 LEU QD1 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=1745,1746,1747,
/
#
# 10 THR H 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 11 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 11 SER 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 2HB 11 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 147, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 150, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 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 1HB 11 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 147, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 2HB 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 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 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 150, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 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, /
#
# 11 SER 2HB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER 1HB 13 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 149, 172, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 11 SER 1HB 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 11 SER 2HB 18 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
/
#
# 11 SER 2HB 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 150, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 11 SER HA 112 GLY 2HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 147,1702, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 11 SER 2HB 112 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 150,1701, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 11 SER 1HB 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1702, 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= 145,1706, 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= 150,1706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 114 ILE QD1 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=1730,1731,1732,
/
#
# 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=1727,1728,
/
#
# 11 SER 1HB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 11 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 147, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 12 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 160, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL HB 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL HA 12 VAL 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 HA 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 12 VAL 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 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, /
#
# 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, /
#
# 12 VAL H 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL HB 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 12 VAL HA 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 13 ILE HA 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 12 VAL H 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 12 VAL H 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 H 156 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156,2389, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL H 13 ILE 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 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 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 HB 13 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 185, 186, 187,
/
#
# 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 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 166, 167, 168,
/
#
# 12 VAL HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL HA 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158,1702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HA 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174,1702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL QG1 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 162, 163, 164,
/
#
# 12 VAL QG1 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 162, 163, 164,
/
#
# 12 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= 162, 163, 164,
igr2=2275,2276,
/
#
# 12 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= 166, 167, 168,
igr2=2275,2276,
/
#
# 12 VAL QG2 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= 166, 167, 168,
igr2=2383,2384,
/
#
# 12 VAL H 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 156,2318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL QG1 153 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= 162, 163, 164,
igr2=2342,2343,2344,
/
#
# 12 VAL HB 153 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2342,2343,2344,
/
#
# 12 VAL QG2 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2340, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 12 VAL QG2 153 LEU 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2338, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 166, 167, 168,
/
#
# 12 VAL QG2 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2335, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 12 VAL QG2 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2387, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
/
#
# 13 ILE HA 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 12 VAL HA 12 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 162, 163, 164,
/
#
# 13 ILE HA 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 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,
/
#
# 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 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 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 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 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,
/
#
# 152 LEU 2HB 13 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
/
#
# 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 172, 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 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,
/
#
# 18 LEU HG 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, -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 HB 17 ARG QD 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= 239, 240,
/
#
# 17 ARG QD 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2386, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 239, 240,
/
#
# 17 ARG 1HG 17 ARG QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 239, 240,
/
#
# 13 ILE HB 17 ARG 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 236, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG 1HG 17 ARG 2HG 1.85 6.00
#This appears to be self-referential: ignoring
#
# 13 ILE H 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 13 ILE H 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172,2339, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 13 ILE HB 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG 1HG 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HB 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 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 HB 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 13 ILE HB 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 272, 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,
/
#
# 13 ILE H 112 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 172,1701, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 13 ILE H 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172,1702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HA 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 12 VAL HA 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 158,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HB 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU QQD 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2256, 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=2319,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 13 ILE H 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 172,2337, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HA 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO QG 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= 209, 210,
/
#
# 15 PRO QD 15 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 206, 207,
/
#
# 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 QD 15 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 206, 207,
/
#
# 15 PRO 1HB 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, 229, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO 1HB 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO 1HB 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212, 272, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO 2HB 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 213,1202, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1202, 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= -1,1634, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 206, 207,
/
#
# 15 PRO 1HB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 212,1636, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 15 PRO QD 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 206, 207,
/
#
# 15 PRO HA 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1710,1711,
/
#
# 15 PRO 2HB 113 SER QB 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=1710,1711,
/
#
# 114 ILE QG1 113 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=1727,1728,
igr2=1710,1711,
/
#
# 15 PRO QD 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1708, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 206, 207,
/
#
# 15 PRO HA 114 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 215,1717, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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 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 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 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 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 HA 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 16 ALA QB 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA HA 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 16 ALA HA 15 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, 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 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 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 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, /
#
# 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,
/
#
# 16 ALA H 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA H 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA 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 2HB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 16 ALA 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 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 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= 302, 303,
/
#
# 17 ARG 1HG 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 16 ALA H 79 PHE QE 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=1210,1214,
/
#
# 16 ALA H 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1611,1612,
/
#
# 16 ALA H 17 ARG 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, 236, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 16 ALA QB 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 223, 224, 225,
igr2=2440,2441,
/
#
# 17 ARG H 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 178, 179, 180,
/
#
# 17 ARG HA 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 17 ARG 1HG 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 229, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HB 17 ARG H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176, 229, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG H 20 LYS 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= 302, 303,
/
#
# 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 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 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 1HG 17 ARG HE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG 2HG 17 ARG HE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG QD 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 239, 240,
igr2= 233, 234,
/
#
# 17 ARG QD 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 239, 240,
igr2= 233, 234,
/
#
# 17 ARG 1HG 17 ARG QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 239, 240,
/
#
# 17 ARG HA 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 17 ARG 1HG 17 ARG 2HG 1.85 6.00
#This appears to be self-referential: ignoring
#
# 17 ARG 2HG 17 ARG QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 239, 240,
/
#
# 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 1HG 17 ARG H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 229, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 2HG 17 ARG QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 239, 240,
/
#
# 17 ARG H 18 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 257, 258,
/
#
# 17 ARG H 18 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 260, 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 HA 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 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 HA 18 LEU 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= 257, 258,
/
#
# 17 ARG HA 16 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 223, 224, 225,
/
#
# 17 ARG 1HG 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, 253, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG HA 18 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 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 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 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 229, 277, 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 17 ARG 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 236, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG 2HG 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG QD 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 239, 240,
/
#
# 156 PRO 1HD 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380,2393, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 17 ARG 1HG 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236,2436, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QD 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2436, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 302, 303,
/
#
# 17 ARG 1HG 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2440,2441,
/
#
# 17 ARG QD 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 239, 240,
igr2=2440,2441,
/
#
# 18 LEU H 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 178, 179, 180,
/
#
# 18 LEU H 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
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,
/
#
# 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 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 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,
/
#
# 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, /
#
# 16 ALA QB 15 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 223, 224, 225,
/
#
# 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 QQD 17 ARG 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= 239, 240,
/
#
# 18 LEU HA 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 15 PRO HA 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 18 LEU QQD 17 ARG 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= 233, 234,
/
#
# 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 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 QD1 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= 262, 263, 264,
igr2= 257, 258,
/
#
# 18 LEU QD2 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= 266, 267, 268,
igr2= 257, 258,
/
#
# 18 LEU QQD 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 255, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU HA 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255,2321, 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 HG 18 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, 255, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU HG 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, 274, 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 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 QD2 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= 266, 267, 268,
/
#
# 18 LEU H 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 253, 276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU H 19 PHE 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 QB 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 257, 258,
/
#
# 18 LEU HG 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, 272, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU QQD 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 272, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU H 19 PHE 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 QB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 257, 258,
/
#
# 18 LEU QD1 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 262, 263, 264,
/
#
# 18 LEU QD1 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= 262, 263, 264,
/
#
# 18 LEU QQD 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 329, 330,
/
#
# 18 LEU HG 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 329, 330,
/
#
# 18 LEU QQD 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,1614, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,1615, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 18 LEU QQD 113 SER 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=1710,1711,
/
#
# 18 LEU QD2 113 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= 266, 267, 268,
igr2=1710,1711,
/
#
# 18 LEU QB 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 257, 258,
/
#
# 18 LEU HG 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260,1743, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 18 LEU QQD 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,1743, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 117 ILE QD1 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 18 LEU QD1 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 262, 263, 264,
igr2=1740,1741,
/
#
# 18 LEU HG 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 18 LEU HG 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2258,2259,2260,
/
#
# 18 LEU QQD 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,2270, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU HG 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2321,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG1 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 18 LEU QQD 149 GLU 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=2272,2273,
/
#
# 148 VAL QG2 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=2262,2263,2264,
igr2=2272,2273,
/
#
# 18 LEU QQD 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259,2320, r1= 1.35, r2= 1.85, r3=10.40, r4=10.90, /
#
# 148 VAL QG2 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2262,2263,2264,
/
#
# 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, /
#
# 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 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 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 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 1HB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE HA 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 329, 330,
/
#
# 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 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 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 QD 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 280, 288,
/
#
# 19 PHE H 19 PHE 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 272, 277, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 H 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 2HB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE H 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 2HB 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 314, 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 1HB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 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 HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 347, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 2HB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE HA 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 349, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 2HB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 19 PHE H 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 272,1161, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 2HB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 277,1607, 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=1268,1274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE HA 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274,1614, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE HA 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274,1615, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276,1615, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276,1614, 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 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, /
#
# 20 LYS H 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 QD 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 302, 303,
/
#
# 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 QB 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 20 LYS HA 20 LYS QG 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= 299, 300,
/
#
# 20 LYS QB 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 296, 297,
igr2= 305, 306,
/
#
# 20 LYS 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 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,
/
#
# 16 ALA HA 20 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 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 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, /
#
# 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 HA 20 LYS QG 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= 299, 300,
/
#
# 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 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 HA 21 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 314, 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, /
#
# 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 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= 302, 303,
/
#
# 20 LYS QG 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= 299, 300,
/
#
# 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 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 22 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS HA 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL H 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 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, /
#
# 19 PHE HA 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 349, 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 QD 159 TYR 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= 302, 303,
igr2=2419,2420,
/
#
# 20 LYS QB 159 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= 296, 297,
igr2=2419,2420,
/
#
# 20 LYS QG 159 TYR 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= 299, 300,
igr2=2419,2420,
/
#
# 20 LYS QG 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2436, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 299, 300,
/
#
# 20 LYS QD 160 CYS 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= 302, 303,
igr2=2440,2441,
/
#
# 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 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER H 29 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 437, 438, 439,
/
#
# 21 SER H 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 21 SER H 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 21 SER H 159 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314,2417, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 21 SER QB 159 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= 318, 319,
igr2=2425,2430,
/
#
# 22 PHE H 21 SER QB 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= 318, 319,
/
#
# 22 PHE H 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 22 PHE H 22 PHE QB 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= 329, 330,
/
#
# 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 HA 22 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 333, 341,
/
#
# 22 PHE QB 22 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= 329, 330,
igr2= 335, 339,
/
#
# 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 H 22 PHE QB 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= 329, 330,
/
#
# 22 PHE H 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE H 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE QB 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 22 PHE QB 23 VAL 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= 329, 330,
igr2= 355, 356, 357,
/
#
# 23 VAL QG2 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 22 PHE HA 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 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,
/
#
# 22 PHE QB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 329, 330,
igr2= 351, 352, 353,
/
#
# 23 VAL QG1 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 19 PHE 1HB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 22 PHE H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE H 29 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 437, 438, 439,
/
#
# 22 PHE QB 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 329, 330,
/
#
# 19 PHE 1HB 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276,1246, 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=1246,1247, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE QB 148 VAL 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= 329, 330,
igr2=2262,2263,2264,
/
#
# 148 VAL QG2 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=2262,2263,2264,
igr2=2204,2205,
/
#
# 22 PHE H 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU QQD 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2333, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 23 VAL H 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 329, 330,
/
#
# 23 VAL H 22 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 333, 341,
/
#
# 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 H 22 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 329, 330,
/
#
# 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 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 H 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 23 VAL HB 23 VAL 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= 355, 356, 357,
/
#
# 23 VAL HB 23 VAL QG1 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= 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 HA 23 VAL QG1 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= 351, 352, 353,
/
#
# 23 VAL HB 23 VAL 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= 355, 356, 357,
/
#
# 23 VAL QG1 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 351, 352, 353,
igr2= 355, 356, 357,
/
#
# 23 VAL 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 HA 23 VAL QG2 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= 355, 356, 357,
/
#
# 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 HA 23 VAL QG1 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= 351, 352, 353,
/
#
# 23 VAL H 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 23 VAL H 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 23 VAL HB 23 VAL QG1 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= 351, 352, 353,
/
#
# 23 VAL HA 23 VAL QG2 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= 355, 356, 357,
/
#
# 23 VAL H 23 VAL HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 345, 349, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 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 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 H 29 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 437, 438, 439,
/
#
# 23 VAL H 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 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=1141,1142,1143,
/
#
# 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=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=1134,1135,1136,
/
#
# 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=1134,1135,1136,
/
#
# 23 VAL QG2 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 23 VAL QG1 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL QG2 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, 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= -1,1246, 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= -1,1246, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
/
#
# 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=1250,1259,
/
#
# 23 VAL QG1 22 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= 351, 352, 353,
igr2= 335, 339,
/
#
# 23 VAL 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= 355, 356, 357,
igr2=1579,1580,1581,
/
#
# 24 LEU HG 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 23 VAL QG1 102 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1570, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 351, 352, 353,
/
#
# 23 VAL 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= 355, 356, 357,
igr2=1579,1580,1581,
/
#
# 23 VAL H 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1579,1580,1581,
/
#
# 23 VAL QG1 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= 351, 352, 353,
igr2=1572,1573,1574,
/
#
# 23 VAL QG1 104 MET 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 351, 352, 353,
/
#
# 23 VAL H 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2258,2259,2260,
/
#
# 24 LEU HG 19 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 272, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 1HB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET QB 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1611,1612,
/
#
# 24 LEU HG 20 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 292, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QQD 20 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 296, 297,
/
#
# 24 LEU 1HB 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 367, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 24 LEU HG 20 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 296, 297,
/
#
# 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 20 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 296, 297,
/
#
# 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 QQD 20 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 299, 300,
/
#
# 32 LYS QB 33 VAL 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= 484, 485,
igr2= 512, 513, 514,
/
#
# 24 LEU HG 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 294, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 2HB 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 294, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 1HB 20 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 294, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 20 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 299, 300,
/
#
# 24 LEU 1HB 20 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 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 QD 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= 302, 303,
igr2= 299, 300,
/
#
# 24 LEU 1HB 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 20 LYS QB 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 296, 297,
/
#
# 24 LEU HG 23 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 345, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU H 23 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 347, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 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 H 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 24 LEU H 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 24 LEU QQD 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 355, 356, 357,
/
#
# 24 LEU QQD 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2= 355, 356, 357,
/
#
# 24 LEU HG 23 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 349, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HA 23 VAL QG2 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= 355, 356, 357,
/
#
# 24 LEU H 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 24 LEU HG 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 24 LEU 1HB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 24 LEU H 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 24 LEU HA 23 VAL QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 355, 356, 357,
/
#
# 24 LEU 1HB 23 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
/
#
# 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 1HB 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU HG 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QQD 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, 361, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 24 LEU HG 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 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 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 QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 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, /
#
# 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 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 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QQD 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, 363, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 24 LEU HG 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU 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 H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 24 LEU QQD 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, 363, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QG2 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 512, 513, 514,
igr2= 529, 530,
/
#
# 24 LEU QQD 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, 361, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL H 33 VAL QG2 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= 512, 513, 514,
/
#
# 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,
/
#
# 24 LEU QQD 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=1134,1135,1136,
/
#
# 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 H 74 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1141,1142,1143,
/
#
# 24 LEU H 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 24 LEU QQD 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1163,1164,
/
#
# 25 ASP 2HB 20 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 305, 306,
/
#
# 25 ASP H 23 VAL QG2 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= 355, 356, 357,
/
#
# 25 ASP H 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 368, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 367, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 25 ASP H 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 365, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 24 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 363, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 25 ASP HA 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 385, 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 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 H 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 2HB 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP 1HB 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 380, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 25 ASP HA 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP HA 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 25 ASP H 29 LEU 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= 432, 433,
/
#
# 28 ASN H 29 LEU 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= 432, 433,
/
#
# 25 ASP 1HB 29 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 437, 438, 439,
/
#
# 26 ALA QB 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 396, 397, 398,
/
#
# 26 ALA QB 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= 396, 397, 398,
/
#
# 26 ALA H 24 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 363, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 24 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 24 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 24 LEU QQD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 392, 367, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 26 ALA H 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 384, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 385, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 25 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 382, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 26 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 396, 397, 398,
/
#
# 26 ALA H 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 26 ALA 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 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA H 27 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 392, 402, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 26 ALA HA 28 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 394, 414, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP H 26 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP H 26 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= 396, 397, 398,
/
#
# 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 HA 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 27 ASP H 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 HA 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 27 ASP H 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 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= 406, 407,
igr2= 625, 626, 627,
/
#
# 27 ASP HA 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627,
/
#
# 27 ASP QB 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 406, 407,
/
#
# 43 ASN 1HB 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 650, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP HA 56 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 833, 834, 835,
/
#
# 56 ILE QG2 57 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 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 QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 28 ASN H 27 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 406, 407,
/
#
# 28 ASN H 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 416, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN 2HD2 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 416, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN 2HD2 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 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 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 1HD2 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 418, 419,
/
#
# 28 ASN 1HD2 28 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 423, 416, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN 1HD2 28 ASN QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 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 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 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 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 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 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 447, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 31 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 31 PRO 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 470, 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, 621, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 28 ASN H 41 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= 625, 626, 627,
/
#
# 28 ASN HA 56 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 833, 834, 835,
/
#
# 29 LEU QD1 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 437, 438, 439,
/
#
# 29 LEU QD1 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= 437, 438, 439,
igr2= 329, 330,
/
#
# 19 PHE 1HB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 351, 352, 353,
/
#
# 22 PHE QB 23 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 329, 330,
igr2= 351, 352, 353,
/
#
# 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 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 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU H 29 LEU 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= 432, 433,
/
#
# 29 LEU H 29 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QD1 29 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 437, 438, 439,
/
#
# 29 LEU QD2 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 441, 442, 443,
/
#
# 29 LEU QQD 29 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 432, 433,
/
#
# 29 LEU HA 29 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 432, 433,
/
#
# 29 LEU H 29 LEU 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= 432, 433,
/
#
# 29 LEU QQD 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 430, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU HA 29 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 432, 433,
/
#
# 29 LEU HA 32 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 487, 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 QD1 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 437, 438, 439,
/
#
# 29 LEU H 30 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QB 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 29 LEU H 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU HA 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QD1 30 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 437, 438, 439,
/
#
# 29 LEU QD1 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 437, 438, 439,
/
#
# 29 LEU QD1 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 437, 438, 439,
/
#
# 22 PHE H 29 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 437, 438, 439,
/
#
# 29 LEU QB 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 432, 433,
/
#
# 29 LEU H 31 PRO 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 470, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 29 LEU HG 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 435, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 29 LEU QQD 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=2258,2259,2260,
/
#
# 29 LEU HG 151 TYR QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2297,2298,
/
#
# 29 LEU QD1 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= 437, 438, 439,
igr2=2301,2310,
/
#
# 29 LEU QD1 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2321, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 437, 438, 439,
/
#
# 29 LEU QD1 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= 437, 438, 439,
igr2=2258,2259,2260,
/
#
# 29 LEU QQD 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434,2316, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 29 LEU QD1 158 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= 437, 438, 439,
igr2=2409,2410,2411,
/
#
# 29 LEU QD1 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= 437, 438, 439,
igr2=2425,2430,
/
#
# 30 ILE HA 29 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 432, 433,
/
#
# 30 ILE HA 29 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 435, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HA 29 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 432, 433,
/
#
# 30 ILE H 30 ILE QG1 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= 457, 458,
/
#
# 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 HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HA 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 447, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 31 PRO 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 447, 473, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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, /
#
# 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 HB 32 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 451, 480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 32 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 490, 491,
/
#
# 30 ILE HA 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HB 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 451, 506, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE HA 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 30 ILE H 56 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= 833, 834, 835,
/
#
# 30 ILE HA 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449,2187, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 31 PRO 2HG 29 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 27 ASP HA 31 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 471, 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 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, /
#
# 30 ILE HB 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 451, 476, 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 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 1HG 31 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 470, 471, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 2HG 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 2HG 31 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 474, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 2HG 32 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 488, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 1HG 31 PRO 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 470, 471, 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, /
#
# 30 ILE HB 31 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 451, 473, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 1HG 31 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 470, 473, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 1HG 31 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 470, 473, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 1HG 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 31 PRO 2HG 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 621, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 1HG 41 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 470, 623, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 31 PRO 1HB 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627,
/
#
# 12 VAL HB 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 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 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 482, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 32 LYS H 32 LYS 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, /
#
# 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 HA 32 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, 487, 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, /
#
# 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, /
#
# 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 QB 32 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 484, 485,
/
#
# 32 LYS HA 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 32 LYS HA 32 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 490, 491,
/
#
# 32 LYS HA 32 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, 488, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 32 LYS HA 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 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 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 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 QD 32 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 490, 491,
/
#
# 31 PRO 1HG 32 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 470, 487, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS HA 32 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, 487, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HA 32 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, 488, 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 H 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 506, 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 QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 484, 485,
/
#
# 32 LYS H 33 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 512, 513, 514,
/
#
# 32 LYS H 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS H 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS QB 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 484, 485,
igr2= 529, 530,
/
#
# 32 LYS HA 35 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 532, 533,
/
#
# 32 LYS HA 35 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 482, 535, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 32 LYS QD 35 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 490, 491,
/
#
# 32 LYS H 144 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2190,2191,2192,
/
#
# 32 LYS H 33 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 508, 509, 510,
/
#
# 33 VAL HB 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 31 PRO 2HG 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 35 PRO 1HB 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL H 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 33 VAL H 32 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 490, 491,
/
#
# 33 VAL H 32 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 487, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL H 32 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 484, 485,
/
#
# 33 VAL H 32 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 482, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL H 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL 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 QG2 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2244, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 512, 513, 514,
/
#
# 33 VAL QG1 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL QG1 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2244, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL H 33 VAL QG1 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= 508, 509, 510,
/
#
# 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 QQG 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, 504, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU QQD 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187, 504, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL H 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 33 VAL H 35 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 535, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL H 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 506, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HA 35 PRO QG 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= 532, 533,
/
#
# 33 VAL H 35 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 538, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HB 35 PRO 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= 529, 530,
/
#
# 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 1HB 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 529, 530,
/
#
# 33 VAL H 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502,2187, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL H 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 505, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QQG 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2186, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU QQD 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187,2186, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QG1 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL QQG 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2185, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU QQD 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187,2185, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QG2 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2183, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 512, 513, 514,
/
#
# 29 LEU HA 33 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 512, 513, 514,
/
#
# 33 VAL HB 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL QQG 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2242, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU QQD 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187,2242, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QG2 147 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=2246,2247,2248,
/
#
# 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, /
#
# 33 VAL QG1 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 508, 509, 510,
igr2=2246,2247,2248,
/
#
# 33 VAL QG2 147 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 512, 513, 514,
/
#
# 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=2246,2247,2248,
/
#
# 147 ALA QB 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 33 VAL QQG 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2252, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL HB 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2254, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HA 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2254,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2254, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL QQG 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2254, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU QQD 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187,2254, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QG1 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 33 VAL QG2 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 512, 513, 514,
/
#
# 30 ILE HA 33 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 512, 513, 514,
/
#
# 33 VAL QG1 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 30 ILE HA 33 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 508, 509, 510,
/
#
# 33 VAL QQG 148 VAL HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 505,2256, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 144 LEU QQD 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187,2256, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QQG 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=2287,2288,2289,
/
#
# 33 VAL QG2 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2293, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 512, 513, 514,
/
#
# 33 VAL QQG 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2297,2298,
/
#
# 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=2297,2298,
/
#
# 33 VAL QQG 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2295, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL HA 151 TYR QB 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=2297,2298,
/
#
# 33 VAL QG1 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2314, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 34 ALA H 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA H 33 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA H 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 505, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 34 ALA H 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518,2187, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 34 ALA H 33 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA H 33 VAL QG2 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= 512, 513, 514,
/
#
# 34 ALA H 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 506, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA H 34 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 522, 523, 524,
/
#
# 34 ALA H 34 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 518, 520, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA QB 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 522, 523, 524,
igr2= 529, 530,
/
#
# 34 ALA HA 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 520, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA QB 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,
/
#
# 113 SER H 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1648,1649,1650,
/
#
# 34 ALA QB 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA HA 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 520, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 34 ALA QB 37 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA QB 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 522, 523, 524,
igr2= 563, 564,
/
#
# 34 ALA QB 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= 522, 523, 524,
igr2=2136,2137,
/
#
# 34 ALA QB 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2181, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 522, 523, 524,
/
#
# 34 ALA QB 147 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= 522, 523, 524,
igr2=2246,2247,2248,
/
#
# 35 PRO HA 31 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 538, 476, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 35 PRO QD 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= 529, 530,
/
#
# 35 PRO 2HB 35 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 536, 538, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 35 PRO 2HB 35 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 532, 533,
/
#
# 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 QG 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= 532, 533,
/
#
# 35 PRO HA 35 PRO QD 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= 529, 530,
/
#
# 35 PRO HA 35 PRO QG 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= 532, 533,
/
#
# 35 PRO 1HB 35 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, 538, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 35 PRO 1HB 35 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, 536, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 35 PRO 1HB 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 529, 530,
/
#
# 35 PRO 2HB 35 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 536, 538, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 35 PRO 1HB 35 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, 536, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 35 PRO 2HB 35 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 532, 533,
/
#
# 35 PRO 1HB 35 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, 538, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 35 PRO 2HB 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 529, 530,
/
#
# 35 PRO HA 37 HIS 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= 563, 564,
/
#
# 37 HIS HA 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 563, 564,
/
#
# 35 PRO HA 39 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 602, 603, 604,
/
#
# 35 PRO 1HB 39 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 602, 603, 604,
/
#
# 35 PRO 2HB 39 THR QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 602, 603, 604,
/
#
# 36 GLN H 35 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 529, 530,
/
#
# 113 SER H 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1702, 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= 149,1706, 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 1HE2 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 2HE2 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 2HE2 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 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 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 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 35 PRO QG 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= 532, 533,
/
#
# 35 PRO 1HB 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 535, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 H 35 PRO QG 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= 532, 533,
/
#
# 36 GLN QB 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 36 GLN QB 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 36 GLN 1HG 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 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 1HG 36 GLN 2HG 1.85 6.00
#This appears to be self-referential: ignoring
#
# 36 GLN QB 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 546, 547,
/
#
# 36 GLN 2HE2 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HG 36 GLN 2HG 1.85 6.00
#This appears to be self-referential: ignoring
#
# 36 GLN 2HG 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HG 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN 1HE2 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 554, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 36 GLN 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 37 HIS 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= 563, 564,
/
#
# 36 GLN 2HG 59 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 884, 885, 886,
/
#
# 36 GLN HA 59 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 884, 885, 886,
/
#
# 36 GLN 1HE2 140 LYS 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=2142,2143,
/
#
# 36 GLN 1HE2 144 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 554,2183, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 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 37 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 561, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS H 36 GLN 1HE2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 554, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS H 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS H 36 GLN 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= 546, 547,
/
#
# 37 HIS H 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS QB 36 GLN 1HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 563, 564,
/
#
# 37 HIS HA 36 GLN 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 561, 549, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS H 37 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 572, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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 HD2 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 563, 564,
/
#
# 37 HIS H 37 HIS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 563, 564,
/
#
# 37 HIS HA 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 563, 564,
/
#
# 37 HIS 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= 884, 885, 886,
/
#
# 37 HIS HA 60 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 561, 890, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS 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= 563, 564,
igr2=2142,2143,
/
#
# 39 THR QG2 40 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 602, 603, 604,
/
#
# 39 THR QG2 40 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= 602, 603, 604,
igr2= 614, 615,
/
#
# 39 THR QG2 57 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 602, 603, 604,
/
#
# 57 THR HB 57 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 852, 853, 854,
/
#
# 39 THR QG2 57 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 602, 603, 604,
/
#
# 39 THR QG2 57 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 602, 603, 604,
/
#
# 39 THR QG2 58 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 602, 603, 604,
/
#
# 39 THR QG2 59 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= 602, 603, 604,
igr2= 884, 885, 886,
/
#
# 40 SER H 39 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 602, 603, 604,
/
#
# 40 SER H 39 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 602, 603, 604,
/
#
# 40 SER H 40 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 612, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 SER H 40 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 614, 615,
/
#
# 40 SER HA 40 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 614, 615,
/
#
# 40 SER HA 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 621, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 SER QB 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 614, 615,
/
#
# 40 SER QB 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 614, 615,
/
#
# 40 SER QB 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= 614, 615,
igr2= 625, 626, 627,
/
#
# 40 SER HA 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627,
/
#
# 41 ALA QB 56 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 625, 626, 627,
/
#
# 40 SER H 57 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 850, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 SER H 57 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 846, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 SER H 57 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 846, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 40 SER H 57 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 850, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 621, 623, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627,
/
#
# 41 ALA HA 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627,
/
#
# 41 ALA H 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627,
/
#
# 41 ALA HA 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627,
/
#
# 41 ALA H 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 621, 631, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA QB 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 625, 626, 627,
/
#
# 41 ALA HA 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 623, 631, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA H 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 621, 631, 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= 623, 631, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 41 ALA HA 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 635, 636,
/
#
# 41 ALA QB 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 625, 626, 627,
/
#
# 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= 625, 626, 627,
igr2= 787, 788,
/
#
# 41 ALA HA 56 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 840, 841, 842,
/
#
# 41 ALA HA 56 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 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= 625, 626, 627,
igr2= 840, 841, 842,
/
#
# 41 ALA HA 56 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 623, 829, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 42 GLU H 42 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 638, 639,
/
#
# 42 GLU HA 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 635, 636,
/
#
# 42 GLU H 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 635, 636,
/
#
# 42 GLU H 42 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 638, 639,
/
#
# 42 GLU QG 42 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 638, 639,
/
#
# 42 GLU HA 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 633, 646, 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= 631, 646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU QG 43 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 638, 639,
/
#
# 42 GLU QG 44 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= 638, 639,
igr2= 669, 670, 671,
/
#
# 42 GLU QG 44 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= 638, 639,
igr2= 669, 670, 671,
/
#
# 42 GLU QG 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 638, 639,
/
#
# 42 GLU QB 44 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= 635, 636,
igr2= 673, 674, 675,
/
#
# 8 GLU QB 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= 110, 111,
igr2=1790,1791,1792,
/
#
# 42 GLU QG 54 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= 638, 639,
igr2= 787, 788,
/
#
# 42 GLU H 55 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 809, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 55 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 807, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU QG 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 638, 639,
/
#
# 42 GLU H 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU QG 55 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 638, 639,
/
#
# 42 GLU H 56 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 829, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 42 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 633, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 42 GLU H 56 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 840, 841, 842,
/
#
# 42 GLU QB 56 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= 635, 636,
igr2= 837, 838,
/
#
# 42 GLU QB 57 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= 635, 636,
igr2= 852, 853, 854,
/
#
# 43 ASN H 42 GLU QB 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= 635, 636,
/
#
# 43 ASN HA 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 635, 636,
/
#
# 43 ASN H 43 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 655, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 648, 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= 646, 650, 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= 646, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 648, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 655, 648, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 655, 650, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 655, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 650, 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= 655, 656, 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= 655, 656, 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= 648, 650, 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= 648, 651, 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= 650, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 655, 651, 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= 646, 651, 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= 646, 650, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HD2 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 656, 650, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 1HD2 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 655, 650, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN H 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 660, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HB 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, 660, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN 2HB 44 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, 660, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 651, 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= 650, 660, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 43 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 650, 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= 651, 679, 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= 648, 679, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 696, 697,
/
#
# 43 ASN 1HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 52 THR QG2 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 756, 757, 758,
igr2= 796, 797,
/
#
# 43 ASN 2HB 52 THR QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 756, 757, 758,
/
#
# 43 ASN 2HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 43 ASN 1HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 43 ASN HA 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 43 ASN 1HD2 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 43 ASN H 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 646, 785, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648, 783, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS HA 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, 783, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 43 ASN HA 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 55 LYS HA 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 43 ASN 1HB 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 43 ASN HA 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 796, 797,
/
#
# 44 LEU H 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 662, 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= 660, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 44 LEU H 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 667, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU QB 44 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= 664, 665,
igr2= 669, 670, 671,
/
#
# 44 LEU HG 44 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 44 LEU QD1 68 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= 669, 670, 671,
igr2=1031,1032,
/
#
# 44 LEU HA 44 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 44 LEU HA 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 44 LEU HA 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 667, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 667, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU QB 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 664, 665,
/
#
# 44 LEU QB 53 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= 664, 665,
igr2= 777, 778, 779,
/
#
# 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= 664, 665,
igr2= 770, 771, 772,
/
#
# 44 LEU HA 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 666, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 44 LEU H 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 55 LYS H 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 44 LEU HA 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 667, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU HA 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 44 LEU HA 44 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 673, 674, 675,
/
#
# 44 LEU H 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 679, 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= 660, 679, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU QD1 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 681, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 669, 670, 671,
/
#
# 44 LEU HA 45 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 683, 684,
/
#
# 44 LEU H 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 52 THR QG2 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 44 LEU H 53 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 766, 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=1147,1149, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 768, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU QB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 664, 665,
/
#
# 44 LEU H 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU HG 53 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 777, 778, 779,
/
#
# 44 LEU QB 53 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= 664, 665,
igr2= 777, 778, 779,
/
#
# 53 ILE QD1 68 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= 777, 778, 779,
igr2=1031,1032,
/
#
# 44 LEU HA 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 770, 771, 772,
/
#
# 44 LEU QD1 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 669, 670, 671,
/
#
# 44 LEU H 54 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 790, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 783, 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= 805, 783, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 55 LYS H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 44 LEU QD1 55 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= 669, 670, 671,
igr2= 815, 816,
/
#
# 44 LEU QD2 55 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= 673, 674, 675,
igr2= 815, 816,
/
#
# 53 ILE QG2 55 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= 770, 771, 772,
igr2= 815, 816,
/
#
# 44 LEU QD1 55 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 669, 670, 671,
/
#
# 44 LEU HA 55 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 815, 816,
/
#
# 44 LEU QD2 68 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= 673, 674, 675,
igr2=1031,1032,
/
#
# 44 LEU QB 44 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= 664, 665,
igr2= 673, 674, 675,
/
#
# 44 LEU HG 44 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 673, 674, 675,
/
#
# 45 GLU H 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 662, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU H 44 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 667, 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= 679, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 45 GLU H 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 45 GLU H 45 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 681, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU H 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 686, 687,
/
#
# 45 GLU H 45 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 683, 684,
/
#
# 45 GLU H 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 768, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU HA 45 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 683, 684,
/
#
# 45 GLU QB 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 683, 684,
/
#
# 45 GLU HA 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 686, 687,
/
#
# 45 GLU QG 45 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= 686, 687,
igr2= 683, 684,
/
#
# 45 GLU HA 45 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 686, 687,
/
#
# 45 GLU HA 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 681, 694, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU QG 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 686, 687,
/
#
# 45 GLU QB 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 683, 684,
/
#
# 45 GLU H 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 694, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU HA 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 696, 697,
/
#
# 45 GLU HA 46 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 681, 694, 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= 679, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 45 GLU QB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 683, 684,
igr2= 756, 757, 758,
/
#
# 53 ILE HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 45 GLU H 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 770, 771, 772,
/
#
# 45 GLU H 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU H 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 679, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU HA 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 681, 764, 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= 764, 752, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU QG 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 686, 687,
/
#
# 45 GLU QB 53 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1= 683, 684,
/
#
# 45 GLU 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= 686, 687,
igr2= 770, 771, 772,
/
#
# 46 GLY H 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 696, 697,
/
#
# 46 GLY H 46 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 696, 697,
/
#
# 46 GLY QA 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 696, 697,
/
#
# 46 GLY QA 47 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 696, 697,
/
#
# 46 GLY QA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 696, 697,
/
#
# 46 GLY QA 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 696, 697,
/
#
# 47 ASN H 47 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 703, 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= 701, 705, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 47 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 47 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 705, 710, 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= 706, 710, 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= 710, 711, 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= 710, 711, 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= 706, 711, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 47 ASN 2HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 711, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 47 ASN 2HB 47 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 706, 711, 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= 705, 711, 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= 705, 706, 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= 705, 706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 47 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 703, 705, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 47 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 703, 706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN 1HB 47 ASN 1HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 710, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 47 ASN 2HB 47 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 706, 710, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 715, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 703, 715, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 715, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN HA 48 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 717, 718,
/
#
# 47 ASN H 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 752, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 47 ASN H 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 754, 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= 715, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 717, 718,
/
#
# 48 GLY H 48 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 717, 718,
/
#
# 48 GLY H 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 715, 722, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 48 GLY H 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 715, 722, 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= 715, 754, 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= 715, 750, 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= 722, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 724, 725,
/
#
# 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= 724, 725,
igr2= 730, 731,
/
#
# 49 GLY QA 50 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 724, 725,
/
#
# 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= 724, 725,
igr2= 730, 731,
/
#
# 49 GLY QA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 724, 725,
/
#
# 49 GLY QA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr1= 724, 725,
/
#
# 50 PRO 1HB 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 730, 731,
/
#
# 50 PRO 2HB 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 730, 731,
/
#
# 50 PRO 1HB 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 737, 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= 736, 737, 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= 737, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 730, 731,
/
#
# 50 PRO QG 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= 733, 734,
igr2= 730, 731,
/
#
# 50 PRO 1HB 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736,1085, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 50 PRO 2HB 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 737,1085, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL QQG 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085,1132, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 50 PRO 1HB 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736,1100, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HB 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736,1100, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 2HB 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 737,1115, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 2HB 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 737,1100, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HB 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736,1115, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 50 PRO 1HB 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736,1128, 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=1128, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1120,1121,
/
#
# 51 GLY H 50 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 743, 736, 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= 743,1086, 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= 743, 737, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 50 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 733, 734,
/
#
# 51 GLY H 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 743, 737, 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= 743, 736, 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= 743, 745, 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= 743, 746, 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= 745, 746, 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= 745, 746, 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= 743, 745, 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= 743, 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= 743, 750, 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= 743, 750, 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= 743, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1073,1074,
/
#
# 51 GLY 2HA 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1073,1074,
/
#
# 51 GLY 2HA 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1073,1074,
/
#
# 51 GLY 2HA 70 LYS QD 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=1070,1071,
/
#
# 51 GLY H 71 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 743,1084, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 51 GLY H 71 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1088,1089,1090,
/
#
# 51 GLY H 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1105,1106,
/
#
# 52 THR QG2 47 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 52 THR HA 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 752, 715, 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, 715, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 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= 756, 757, 758,
igr2= 717, 718,
/
#
# 52 THR QG2 48 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 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= 756, 757, 758,
igr2= 717, 718,
/
#
# 52 THR H 51 GLY 2HA 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 H 51 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 745, 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= 752, 750, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 52 THR H 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= 756, 757, 758,
/
#
# 52 THR H 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1067,1068,
/
#
# 52 THR HB 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 754, 750, 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, 754, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 52 THR QG2 52 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 45 GLU HA 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 52 THR QG2 52 THR H 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= 756, 757, 758,
/
#
# 52 THR QG2 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 52 THR HB 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1067,1068,
/
#
# 52 THR HA 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 752, 754, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR HB 51 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 754, 745, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR HB 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 754, 750, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 53 ILE H 70 LYS QG 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=1067,1068,
/
#
# 52 THR QG2 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 52 THR QG2 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= 756, 757, 758,
igr2= 793, 794,
/
#
# 52 THR QG2 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 756, 757, 758,
igr2= 796, 797,
/
#
# 52 THR HA 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1073,1074,
/
#
# 51 GLY 1HA 70 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1073,1074,
/
#
# 52 THR H 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750,1086, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 52 THR QG2 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 70 LYS QG 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 71 VAL QG2 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1092,1093,1094,
/
#
# 52 THR H 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750,1082, 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= -1,1086, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 53 ILE H 46 GLY QA 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= 696, 697,
/
#
# 53 ILE H 52 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 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= 764, 750, 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= 764, 754, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 756, 757, 758,
/
#
# 53 ILE HA 52 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, 754, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HA 52 THR QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 756, 757, 758,
/
#
# 53 ILE HA 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 45 GLU QB 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 683, 684,
/
#
# 53 ILE QG2 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 54 LYS 2HG 53 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 791, 764, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HA 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 770, 771, 772,
/
#
# 53 ILE QG2 53 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 770, 771, 772,
/
#
# 53 ILE HA 53 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 774, 775,
/
#
# 53 ILE HA 53 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 766, 764, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 53 ILE HB 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 770, 771, 772,
/
#
# 53 ILE HB 53 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 777, 778, 779,
/
#
# 53 ILE HA 53 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 777, 778, 779,
/
#
# 53 ILE HA 54 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, 791, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HA 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 770, 771, 772,
/
#
# 53 ILE HA 53 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 777, 778, 779,
/
#
# 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= 777, 778, 779,
igr2= 774, 775,
/
#
# 44 LEU QD2 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= 673, 674, 675,
igr2= 774, 775,
/
#
# 53 ILE QG2 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= 770, 771, 772,
igr2= 774, 775,
/
#
# 53 ILE HB 53 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 777, 778, 779,
/
#
# 53 ILE HA 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, 783, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HB 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, 783, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS H 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783,1064, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE H 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 783, 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, 783, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 53 ILE HA 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, 783, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE QG2 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= 770, 771, 772,
igr2= 787, 788,
/
#
# 54 LYS 2HG 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 791, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 53 ILE QD1 68 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= 777, 778, 779,
igr2=1031,1032,
/
#
# 44 LEU QD2 68 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= 673, 674, 675,
igr2=1031,1032,
/
#
# 53 ILE QG2 68 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= 770, 771, 772,
igr2=1031,1032,
/
#
# 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= 664, 665,
igr2= 770, 771, 772,
/
#
# 44 LEU HG 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 770, 771, 772,
/
#
# 53 ILE QG2 68 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= 770, 771, 772,
igr2=1025,1026,
/
#
# 53 ILE HA 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766,1043, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE QG2 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 54 LYS 2HG 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 791,1043, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE QG2 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 53 ILE QG2 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 53 ILE QG2 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 53 ILE HA 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766,1060, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE QG2 70 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 770, 771, 772,
/
#
# 53 ILE QG2 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 70 LYS 2HB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 53 ILE QG2 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= 770, 771, 772,
igr2=1073,1074,
/
#
# 70 LYS QE 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1073,1074,
igr2=1338,1339,1340,
/
#
# 70 LYS QE 53 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=1073,1074,
igr2= 777, 778, 779,
/
#
# 53 ILE HB 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768,1062, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS HA 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1064, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE HA 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1067,1068,
/
#
# 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= 777, 778, 779,
igr2=1070,1071,
/
#
# 70 LYS QD 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=1070,1071,
igr2=1338,1339,1340,
/
#
# 53 ILE QG2 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= 770, 771, 772,
igr2=1070,1071,
/
#
# 53 ILE HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 766,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 53 ILE QG2 87 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= 770, 771, 772,
igr2=1348,1349,
/
#
# 87 GLU QB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1348,1349,
igr2=1338,1339,1340,
/
#
# 54 LYS HA 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 648, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS HA 54 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, 785, 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= 785, 660, 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= 785, 660, 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= 805, 785, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS HA 44 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 673, 674, 675,
/
#
# 54 LYS HA 45 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 679, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS H 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 796, 797,
/
#
# 54 LYS H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 54 LYS H 54 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 793, 794,
/
#
# 54 LYS 1HG 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 783, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS HA 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 54 LYS H 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 54 LYS HA 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 54 LYS HA 54 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 793, 794,
/
#
# 54 LYS 1HG 54 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 54 LYS HA 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 796, 797,
/
#
# 54 LYS HA 54 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 793, 794,
/
#
# 54 LYS QE 54 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= 796, 797,
igr2= 793, 794,
/
#
# 43 ASN 1HB 54 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 793, 794,
/
#
# 54 LYS QE 54 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= 796, 797,
igr2= 787, 788,
/
#
# 54 LYS H 69 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1047,1048,
/
#
# 54 LYS H 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783,1043, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS QB 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 787, 788,
/
#
# 54 LYS 1HG 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 790,1043, 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= 783,1043, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS 1HG 69 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1047,1048,
/
#
# 54 LYS H 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783,1062, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS H 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783,1065, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 42 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 635, 636,
/
#
# 55 LYS H 43 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 651, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 43 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 648, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS HA 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, 805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 44 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 673, 674, 675,
/
#
# 55 LYS H 53 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 770, 771, 772,
/
#
# 55 LYS 1HB 44 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 53 ILE HB 44 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 55 LYS HA 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 43 ASN HA 44 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 664, 665,
/
#
# 55 LYS H 44 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 673, 674, 675,
/
#
# 44 LEU H 44 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 673, 674, 675,
/
#
# 55 LYS H 44 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 44 LEU H 44 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 55 LYS H 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 662, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 44 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 662, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS HA 44 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 43 ASN HA 44 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 669, 670, 671,
/
#
# 55 LYS 1HB 44 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 673, 674, 675,
/
#
# 55 LYS H 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 796, 797,
/
#
# 55 LYS H 54 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 793, 794,
/
#
# 55 LYS H 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 831, 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= 805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 787, 788,
/
#
# 55 LYS H 54 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 790, 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= 805, 785, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 54 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 790, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 44 LEU H 54 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 790, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 1HB 55 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 809, 805, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 53 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 768, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 1HB 55 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 809, 813, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 1HB 55 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 809, 812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS HA 55 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, 812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS HA 55 LYS 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, 813, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 1HG 55 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 815, 816,
/
#
# 57 THR QG2 55 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= 852, 853, 854,
igr2= 815, 816,
/
#
# 55 LYS HA 55 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 815, 816,
/
#
# 55 LYS H 55 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE H 55 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, 812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 1HB 55 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 815, 816,
/
#
# 55 LYS HA 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, 827, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 1HB 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 809, 827, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS HA 56 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 840, 841, 842,
/
#
# 55 LYS 1HB 56 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 809, 829, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 2HG 57 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 813, 848, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 1HG 67 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 812,1006, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS 1HG 68 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1031,1032,
/
#
# 55 LYS HA 68 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1031,1032,
/
#
# 55 LYS 2HG 68 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1031,1032,
/
#
# 55 LYS HA 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 807,1043, 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= 805,1043, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE QG2 30 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE QG2 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE QG2 31 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE QG2 40 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE QG2 41 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 833, 834, 835,
/
#
# 56 ILE QG2 41 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= 833, 834, 835,
igr2= 625, 626, 627,
/
#
# 56 ILE QG2 42 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE QD1 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= 840, 841, 842,
igr2= 793, 794,
/
#
# 56 ILE QD1 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 840, 841, 842,
/
#
# 56 ILE H 55 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, 812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE H 57 THR QG2 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= 852, 853, 854,
/
#
# 56 ILE HB 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 831, 827, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 54 LYS QD 56 ILE H 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= 793, 794,
/
#
# 54 LYS QB 56 ILE H 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= 787, 788,
/
#
# 56 ILE H 56 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 837, 838,
/
#
# 56 ILE HA 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 827, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE QG2 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE QD1 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 840, 841, 842,
/
#
# 56 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= 833, 834, 835,
igr2= 840, 841, 842,
/
#
# 56 ILE QD1 56 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 840, 841, 842,
/
#
# 56 ILE HA 56 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 840, 841, 842,
/
#
# 56 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= 833, 834, 835,
igr2= 840, 841, 842,
/
#
# 56 ILE QD1 56 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= 840, 841, 842,
igr2= 837, 838,
/
#
# 56 ILE H 56 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 837, 838,
/
#
# 55 LYS H 56 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 837, 838,
/
#
# 56 ILE QD1 56 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= 840, 841, 842,
igr2= 837, 838,
/
#
# 56 ILE QG2 56 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= 833, 834, 835,
igr2= 837, 838,
/
#
# 56 ILE QG2 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE HB 56 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 831, 827, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE QG2 57 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE HB 57 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 831, 848, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 56 ILE QG2 57 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1= 833, 834, 835,
/
#
# 56 ILE QG2 57 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE QG2 57 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1= 833, 834, 835,
igr2= 852, 853, 854,
/
#
# 56 ILE QG2 55 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 833, 834, 835,
/
#
# 56 ILE H 67 MET QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1011,1012,
/
#
# 56 ILE HB 67 MET QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1011,1012,
/
#
# 56 ILE HB 67 MET QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1011,1012,
/
#
# 56 ILE H 67 MET QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1011,1012,
/
#
# 56 ILE H 68 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827,1023, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE HB 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 831,1021, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 158 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2415, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2409,2410,2411,
/
#
# 56 ILE H 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 827,1021, 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= 827,1023, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 55 LYS H 68 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805,1023, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 56 ILE QD1 69 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= 840, 841, 842,
igr2=1047,1048,
/
#
# 56 ILE QD1 85 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= 840, 841, 842,
igr2=1312,1313,1314,
/
#
# 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= 625, 626, 627,
igr2= 840, 841, 842,
/
#
# 57 THR HB 40 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 614, 615,
/
#
# 57 THR HB 41 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 621, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR HB 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 623, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR H 56 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 846, 831, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR H 56 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 846, 829, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR H 57 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 852, 853, 854,
/
#
# 57 THR H 55 LYS 1HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 846, 812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR HB 57 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 846, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR H 57 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 846, 848, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR H 41 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 846, 623, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR QG2 57 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 852, 853, 854,
/
#
# 57 THR QG2 58 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 852, 853, 854,
/
#
# 57 THR HB 57 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 846, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR HB 57 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 852, 853, 854,
/
#
# 57 THR QG2 64 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= 852, 853, 854,
igr2= 945, 946,
/
#
# 59 ALA QB 64 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 884, 885, 886,
/
#
# 59 ALA QB 64 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= 884, 885, 886,
igr2= 949, 957,
/
#
# 60 GLU H 59 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 884, 885, 886,
/
#
# 60 GLU QB 59 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= 894, 895,
igr2= 884, 885, 886,
/
#
# 60 GLU H 59 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 884, 885, 886,
/
#
# 60 GLU H 60 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 890, 892, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 60 GLU H 60 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 894, 895,
/
#
# 60 GLU HA 60 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 894, 895,
/
#
# 60 GLU HA 60 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 894, 895,
/
#
# 60 GLU HA 140 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2142,2143,
/
#
# 60 GLU HA 140 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2142,2143,
/
#
# 62 ASN 1HD2 62 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 921, 922, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 62 ASN 1HD2 62 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 921, 922, 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= 941, 943, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 64 PHE H 64 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 949, 957,
/
#
# 64 PHE H 64 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 945, 946,
/
#
# 64 PHE HA 64 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 949, 957,
/
#
# 64 PHE QD 64 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= 949, 957,
igr2= 945, 946,
/
#
# 64 PHE HA 64 PHE QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 945, 946,
/
#
# 64 PHE H 64 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 945, 946,
/
#
# 64 PHE HA 64 PHE QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 945, 946,
/
#
# 67 MET QG 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1011,1012,
/
#
# 67 MET QG 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1011,1012,
/
#
# 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=1011,1012,
igr2=1312,1313,1314,
/
#
# 87 GLU 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=1351,1352,
igr2=1312,1313,1314,
/
#
# 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=1011,1012,
igr2=1312,1313,1314,
/
#
# 67 MET HA 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1006,1344, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 67 MET QG 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1011,1012,
/
#
# 87 GLU QG 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1351,1352,
/
#
# 67 MET HA 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1006,1362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 67 MET QG 88 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1011,1012,
/
#
# 67 MET QG 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1380, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1011,1012,
/
#
# 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=1011,1012,
igr2=1377,1378,
/
#
# 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=1011,1012,
igr2=1377,1378,
/
#
# 68 LYS QB 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=1025,1026,
igr2= 774, 775,
/
#
# 44 LEU QB 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= 664, 665,
igr2= 774, 775,
/
#
# 68 LYS H 67 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021,1006, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1025,1026,
/
#
# 68 LYS HA 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1023,1021, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 68 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1031,1032,
/
#
# 68 LYS H 68 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1025,1026,
/
#
# 68 LYS HA 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1025,1026,
/
#
# 68 LYS H 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021,1329, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS QB 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1025,1026,
/
#
# 68 LYS H 87 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1351,1352,
/
#
# 67 MET QG 68 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1011,1012,
/
#
# 68 LYS H 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021,1344, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS QB 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1025,1026,
/
#
# 68 LYS H 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021,1344, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 87 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1351,1352,
/
#
# 68 LYS H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021,1346, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 87 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1348,1349,
/
#
# 68 LYS HA 88 GLY 2HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1023,1362, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 68 LYS HA 88 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1023,1361, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 68 LYS H 88 GLY 2HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1021,1362, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 69 HIS QB 54 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=1047,1048,
igr2= 787, 788,
/
#
# 69 HIS QB 54 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=1047,1048,
igr2= 793, 794,
/
#
# 69 HIS H 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1025,1026,
/
#
# 69 HIS H 68 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1043,1023, 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=1043,1023, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS QB 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1047,1048,
/
#
# 69 HIS H 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1043,1045, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS QB 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1047,1048,
/
#
# 69 HIS H 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1043,1045, 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=1045,1295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS QB 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1047,1048,
/
#
# 69 HIS QB 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1047,1048,
/
#
# 69 HIS HA 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1045,1060, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS HA 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1045,1060, 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=1045,1295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS QB 84 SER H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1047,1048,
/
#
# 69 HIS QB 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1047,1048,
/
#
# 69 HIS QB 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1047,1048,
/
#
# 69 HIS H 85 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1319,1320,1321,
/
#
# 69 HIS HA 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1045,1308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS HA 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1045,1325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 69 HIS HA 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1338,1339,1340,
/
#
# 69 HIS H 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1043,1344, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 1HB 53 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 777, 778, 779,
/
#
# 53 ILE QG2 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 70 LYS HA 53 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 777, 778, 779,
/
#
# 53 ILE QG2 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 54 LYS 2HG 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 791,1062, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS HA 69 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1043, 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=1062,1295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 1HB 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1060, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 2HB 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1060, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QG 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 70 LYS QG 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 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=1073,1074,
igr2=1067,1068,
/
#
# 70 LYS 1HB 70 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1070,1071,
/
#
# 70 LYS 1HB 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1065, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 1HB 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1065, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QE 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1073,1074,
/
#
# 70 LYS QE 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1073,1074,
/
#
# 69 HIS QB 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1047,1048,
/
#
# 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=1073,1074,
igr2=1070,1071,
/
#
# 70 LYS QE 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1073,1074,
/
#
# 70 LYS HA 70 LYS 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1062,1065, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 70 LYS 2HB 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1297, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 1HB 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1060, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QG 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 52 THR QG2 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 756, 757, 758,
/
#
# 54 LYS 1HG 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 790,1062, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS HA 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1065, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS HA 70 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1070,1071,
/
#
# 70 LYS HA 70 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1060, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QG 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 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=1073,1074,
igr2=1070,1071,
/
#
# 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=1073,1074,
igr2=1067,1068,
/
#
# 70 LYS QG 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 70 LYS QG 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 70 LYS 1HB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 2HB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 2HB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 1HB 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QG 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 70 LYS HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 1HB 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1105,1106,
/
#
# 70 LYS 1HB 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1329, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QE 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=1073,1074,
igr2=1105,1106,
/
#
# 70 LYS QG 72 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=1067,1068,
igr2=1102,1103,
/
#
# 70 LYS QG 70 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1067,1068,
/
#
# 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=1067,1068,
igr2=1070,1071,
/
#
# 70 LYS QG 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1067,1068,
igr2=1105,1106,
/
#
# 71 VAL HB 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1067,1068,
/
#
# 70 LYS HA 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1098, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 2HB 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1278,1279,
/
#
# 70 LYS 2HB 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS QG 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=1067,1068,
igr2=1278,1279,
/
#
# 70 LYS 2HB 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1278,1279,
/
#
# 70 LYS H 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1060,1295, 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=1060,1295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 1HB 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1297, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS HA 70 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1064, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 2HB 84 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 2HB 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1310, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 2HB 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1329, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 70 LYS 2HB 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1105,1106,
/
#
# 70 LYS HA 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1338,1339,1340,
/
#
# 84 SER HA 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 70 LYS H 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1338,1339,1340,
/
#
# 70 LYS QD 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=1070,1071,
igr2=1338,1339,1340,
/
#
# 70 LYS 2HB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 70 LYS QE 86 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=1073,1074,
igr2=1338,1339,1340,
/
#
# 70 LYS 2HB 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065,1327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL HA 50 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084, 736, 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= 736, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 730, 731,
/
#
# 71 VAL HB 53 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 774, 775,
/
#
# 71 VAL QG1 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1088,1089,1090,
/
#
# 54 LYS 2HG 54 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 791, 783, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QQG 54 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 793, 794,
/
#
# 71 VAL QQG 69 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1047,1048,
/
#
# 69 HIS QB 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=1047,1048,
igr2=1312,1313,1314,
/
#
# 71 VAL HA 70 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1067,1068,
/
#
# 71 VAL HA 70 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1062, 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=1086,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL H 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1105,1106,
/
#
# 71 VAL HA 71 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1082, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL HA 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1085, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL HA 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1086, 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=1086,1082, 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=1084,1086, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL HA 72 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1105,1106,
/
#
# 71 VAL HA 71 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1092,1093,1094,
/
#
# 71 VAL HA 71 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1088,1089,1090,
/
#
# 71 VAL HA 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1098, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QQG 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085,1098, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL HA 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1098, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QG1 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1088,1089,1090,
/
#
# 71 VAL HA 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1113, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL QQG 73 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1085,1113, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 52 THR H 71 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 750,1085, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 71 VAL QQG 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085,1132, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 74 ILE QG2 74 ILE HB 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=1134,1135,1136,
/
#
# 71 VAL QQG 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=1278,1279,
/
#
# 71 VAL QQG 54 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 796, 797,
/
#
# 71 VAL HA 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 71 VAL H 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1338,1339,1340,
/
#
# 72 GLU QB 50 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1102,1103,
igr2= 733, 734,
/
#
# 72 GLU H 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1098,1100, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU H 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1102,1103,
/
#
# 72 GLU QG 72 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1105,1106,
/
#
# 72 GLU QG 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1105,1106,
/
#
# 72 GLU H 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1102,1103,
/
#
# 72 GLU HA 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1102,1103,
/
#
# 72 GLU H 72 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1098,1100, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU QG 72 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=1105,1106,
igr2=1102,1103,
/
#
# 72 GLU 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=1105,1106,
igr2=1070,1071,
/
#
# 72 GLU H 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1117,1118,
/
#
# 72 GLU H 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1098,1113, 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= -1,1113, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1102,1103,
/
#
# 72 GLU HA 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1100,1113, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1113,1115, 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=1098,1113, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU HA 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1117,1118,
/
#
# 73 GLU QB 73 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1117,1118,
/
#
# 72 GLU QB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1102,1103,
/
#
# 72 GLU H 82 CYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1098,1267, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU QB 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1102,1103,
/
#
# 80 LYS 1HB 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1265, 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=1098,1276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU QG 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1105,1106,
/
#
# 71 VAL HB 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1086,1276, 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=1098,1276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU HA 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1278,1279,
/
#
# 73 GLU QG 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=1120,1121,
igr2= 730, 731,
/
#
# 73 GLU QB 72 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=1117,1118,
igr2=1102,1103,
/
#
# 73 GLU QB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1117,1118,
/
#
# 73 GLU QB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1117,1118,
/
#
# 73 GLU HA 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1120,1121,
/
#
# 72 GLU HA 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1120,1121,
/
#
# 73 GLU H 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1120,1121,
/
#
# 73 GLU HA 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1115,1128, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 72 GLU HA 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1100,1128, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU H 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1113,1128, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU QB 74 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=1117,1118,
igr2=1138,1139,
/
#
# 50 PRO 2HB 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1138,1139,
/
#
# 73 GLU QB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1117,1118,
/
#
# 73 GLU H 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1113,1263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 73 GLU QB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1117,1118,
/
#
# 73 GLU QB 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1117,1118,
/
#
# 74 ILE HA 49 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 724, 725,
/
#
# 74 ILE QD1 49 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1141,1142,1143,
/
#
# 74 ILE HA 50 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 730, 731,
/
#
# 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=1141,1142,1143,
igr2= 730, 731,
/
#
# 74 ILE QG1 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=1138,1139,
igr2= 730, 731,
/
#
# 24 LEU HA 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1138,1139,
/
#
# 74 ILE QD1 50 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=1141,1142,1143,
igr2= 733, 734,
/
#
# 74 ILE QD1 52 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1141,1142,1143,
igr2= 756, 757, 758,
/
#
# 54 LYS 1HG 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1141,1142,1143,
/
#
# 24 LEU HG 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1141,1142,1143,
/
#
# 74 ILE QD1 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=1141,1142,1143,
igr2= 793, 794,
/
#
# 74 ILE QD1 71 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1141,1142,1143,
/
#
# 74 ILE H 73 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1120,1121,
/
#
# 74 ILE QG2 73 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=1134,1135,1136,
igr2=1120,1121,
/
#
# 74 ILE H 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1128,1132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE QG2 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1134,1135,1136,
/
#
# 71 VAL QG2 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1092,1093,1094,
/
#
# 74 ILE QD1 74 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1141,1142,1143,
/
#
# 74 ILE QD1 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1141,1142,1143,
igr2=1138,1139,
/
#
# 74 ILE H 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1128,1132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE HA 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1138,1139,
/
#
# 74 ILE QD1 74 ILE HB 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=1141,1142,1143,
/
#
# 74 ILE HB 74 ILE QG1 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=1138,1139,
/
#
# 74 ILE HA 74 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130,1132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE HA 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1141,1142,1143,
/
#
# 74 ILE QG2 74 ILE HB 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=1134,1135,1136,
/
#
# 74 ILE HA 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 74 ILE HA 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE HA 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130,1151, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE HA 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1163,1164,
/
#
# 74 ILE QG2 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1134,1135,1136,
/
#
# 74 ILE HA 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1230,1231,
/
#
# 74 ILE HA 80 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1227,1228,
/
#
# 80 LYS QG 105 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1227,1228,
/
#
# 74 ILE QG2 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1242, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1134,1135,1136,
/
#
# 74 ILE QG2 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1134,1135,1136,
igr2=1250,1259,
/
#
# 74 ILE HA 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130,1263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE HB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 74 ILE QG2 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1134,1135,1136,
/
#
# 74 ILE HA 82 CYS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1130,1267, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 74 ILE HA 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1579,1580,1581,
/
#
# 75 ASP 1HB 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1117,1118,
/
#
# 75 ASP H 74 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147,1130, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 75 ASP H 74 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1141,1142,1143,
/
#
# 44 LEU H 44 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 666, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 75 ASP 2HB 74 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1134,1135,1136,
/
#
# 75 ASP H 74 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1147,1132, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 75 ASP 1HB 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 75 ASP HA 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 75 ASP H 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1151,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1151,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1149,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1149,1151, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP H 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 2HB 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1152,1161, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1149,1176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP HA 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1149,1178, 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=1151,1200, 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=1151,1200, 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=1147,1220, 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=1147,1220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 80 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1227,1228,
/
#
# 75 ASP H 81 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147,1244, 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=1147, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1250,1259,
/
#
# 75 ASP H 81 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1147,1244, 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=1159, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1163,1164,
/
#
# 76 HIS H 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1159,1161, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 76 HIS QB 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1163,1164,
/
#
# 76 HIS QB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1163,1164,
/
#
# 76 HIS H 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1159,1176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 76 HIS H 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1159,1176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 76 HIS QB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1163,1164,
/
#
# 77 ALA H 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1176,1161, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA QB 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA QB 76 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1180,1181,1182,
igr2=1163,1164,
/
#
# 77 ALA QB 76 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA H 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1176,1178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA QB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA QB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA QB 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA H 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1176,1178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA QB 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA QB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA QB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA QB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA QB 78 ASN HA 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=1180,1181,1182,
/
#
# 77 ALA H 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1176,1200, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 77 ALA QB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 77 ALA QB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1220, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1180,1181,1182,
/
#
# 78 ASN H 78 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1190, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1151, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HD2 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1195,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HD2 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1195,1151, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191,1151, 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=1186, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1180,1181,1182,
/
#
# 78 ASN 1HB 77 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1190,1176, 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=1186,1176, 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=1186,1178, 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=1186,1176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1180,1181,1182,
/
#
# 78 ASN H 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1180,1181,1182,
/
#
# 78 ASN H 77 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1178, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 77 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1180,1181,1182,
/
#
# 78 ASN 1HD2 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1195,1196, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1190,1195, 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=1191,1195, 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=1190,1196, 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=1191,1196, 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=1195,1196, 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=1186,1191, 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=1186,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1196, 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=1186,1195, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1196, 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=1186,1188, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 78 ASN 2HB 78 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191,1196, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1190,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 79 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1204,1205,
/
#
# 78 ASN 1HB 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1190,1188, 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=1190,1191, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 79 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1204,1205,
/
#
# 78 ASN 2HB 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191,1188, 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=1191,1195, 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=1186,1191, 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=1186,1190, 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=1190,1196, 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=1190,1191, 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=1186,1200, 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=1186,1200, 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=1191,1200, 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=1191,1200, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1190,1200, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 80 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1224, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN H 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 1HD2 80 LYS QE 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=1233,1234,
/
#
# 78 ASN 2HB 80 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191,1224, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN 2HB 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1230,1231,
/
#
# 78 ASN H 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1230,1231,
/
#
# 78 ASN H 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1186,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 78 ASN HA 105 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1188,1626, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 78 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1200,1188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1208,1216,
/
#
# 79 PHE H 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1200,1202, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 79 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1204,1205,
/
#
# 78 ASN 1HB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1190,1200, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1200,1202, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 79 PHE H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1200,1587, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 74 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1130, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 74 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1134,1135,1136,
/
#
# 80 LYS H 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1151, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 19 PHE 1HB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276,1220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 75 ASP 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1152, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1151, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1147, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 75 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1147, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1200, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1200, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1200, 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=1220, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1204,1205,
/
#
# 78 ASN 1HB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1190,1220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 79 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1200, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 79 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1208,1216,
/
#
# 80 LYS H 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1202, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1220, 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=1220, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1230,1231,
/
#
# 80 LYS 1HB 80 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS H 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1222, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS QD 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1230,1231,
igr2=1233,1234,
/
#
# 103 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=1595,1596,
igr2=1233,1234,
/
#
# 80 LYS H 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1233,1234,
/
#
# 80 LYS QD 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1230,1231,
/
#
# 80 LYS HA 103 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1595,1596,
/
#
# 80 LYS 1HB 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1222, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1222, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS HA 80 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1227,1228,
/
#
# 80 LYS H 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1222, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1233,1234,
/
#
# 80 LYS 2HB 80 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1230,1231,
/
#
# 80 LYS 1HB 80 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1225, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 80 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1225, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 80 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1227,1228,
/
#
# 80 LYS 2HB 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1233,1234,
/
#
# 80 LYS 1HB 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1233,1234,
/
#
# 80 LYS H 80 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1227,1228,
/
#
# 80 LYS H 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1242, 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=1222,1242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS HA 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1247, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 75 ASP 1HB 80 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1151,1222, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 81 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 81 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1244,1576, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1247, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 75 ASP 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1151, 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=1222,1242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 78 ASN 2HB 80 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191,1224, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 78 ASN 2HB 80 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1191,1225, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS HA 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1577, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 103 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1598,1599,
/
#
# 80 LYS 2HB 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1592,1593,
/
#
# 80 LYS QG 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1227,1228,
/
#
# 116 LYS QB 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1759,1760,
/
#
# 80 LYS 2HB 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1587, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS QD 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1230,1231,
/
#
# 103 LYS HA 103 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1587, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1595,1596,
/
#
# 80 LYS 1HD 103 LYS 2HE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1230,1599, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HD 103 LYS 1HE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1231,1598, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 1HB 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 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=1592,1593,
igr2=1589,1590,
/
#
# 80 LYS HA 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1587, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 80 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1227,1228,
/
#
# 81 TYR HA 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1117,1118,
/
#
# 81 TYR H 74 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1138,1139,
/
#
# 81 TYR H 81 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1250,1259,
/
#
# 81 TYR HA 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1244,1242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242,1246, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242,1247, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR 2HB 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1252,1257,
/
#
# 81 TYR 1HB 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1246,1247, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1244,1247, 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= -1,1247, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1250,1259,
/
#
# 81 TYR QD 81 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1250,1259,
/
#
# 81 TYR HA 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1244,1263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR 1HB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1246,1263, 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= -1,1263, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1250,1259,
/
#
# 81 TYR 2HB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1247,1263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1244,1263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1250,1259,
igr2=1278,1279,
/
#
# 81 TYR HA 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1244,1274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 81 TYR 2HB 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1247,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR 2HB 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1247,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 22 PHE QB 102 ILE HB 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= 329, 330,
/
#
# 81 TYR 1HB 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1246,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR 2HB 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 71 VAL QG1 81 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1088,1089,1090,
/
#
# 81 TYR 1HB 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1246,1576, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR HA 102 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1579,1580,1581,
/
#
# 81 TYR H 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 81 TYR H 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1102,1103,
/
#
# 82 CYS 1HB 72 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1102,1103,
/
#
# 82 CYS 2HB 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1268,1113, 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=1267,1113, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 1HB 73 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1117,1118,
/
#
# 82 CYS 1HB 73 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=1120,1121,
/
#
# 82 CYS H 81 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1252,1257,
/
#
# 82 CYS 2HB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1268,1263, 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=1267,1263, 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=1268,1265, 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=1267,1265, 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=1268,1265, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 82 CYS H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1263,1265, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1530,1265, 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=1267,1268, 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=1267,1265, 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=1267,1268, 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=1268,1274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS 2HB 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1299,1300,
/
#
# 82 CYS 2HB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 82 CYS 1HB 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 82 CYS HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1265,1566, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 82 CYS H 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1263,1566, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR HA 73 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1276,1113, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1265, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1265, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 83 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1282,1291,
/
#
# 83 TYR H 83 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1284,1289,
/
#
# 83 TYR H 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1278,1279,
/
#
# 79 PHE QB 104 MET H 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=1204,1205,
/
#
# 83 TYR HA 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1278,1279,
/
#
# 83 TYR HA 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1278,1279,
/
#
# 82 CYS 1HB 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1267,1276, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR HA 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1299,1300,
/
#
# 83 TYR HA 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1276,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR HA 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1276,1297, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1524, 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=1274,1530, 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=1607,1585, 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=1274,1530, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR QE 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1284,1289,
/
#
# 83 TYR QE 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1284,1289,
/
#
# 83 TYR QB 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1278,1279,
/
#
# 83 TYR H 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 104 MET H 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 84 SER H 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1278,1279,
/
#
# 84 SER H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1295,1276, 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=1295, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1282,1291,
/
#
# 84 SER H 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1295,1274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 83 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1278,1279,
/
#
# 84 SER H 83 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1295,1276, 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=1276,1530, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1299,1300,
/
#
# 84 SER H 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1295,1297, 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=1062,1295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER QB 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1299,1300,
/
#
# 84 SER HA 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1297,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER QB 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1299,1300,
/
#
# 84 SER HA 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1297,1306, 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= -1,1306, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1299,1300,
/
#
# 85 ILE H 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306,1523, 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=1295,1306, 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=1297,1306, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER HA 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1297,1308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER HA 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1297,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER H 85 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1295,1310, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 84 SER QB 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1299,1300,
/
#
# 84 SER QB 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1299,1300,
/
#
# 84 SER H 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1338,1339,1340,
/
#
# 84 SER 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=1299,1300,
igr2=1338,1339,1340,
/
#
# 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=2262,2263,2264,
/
#
# 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=1299,1300,
igr2=1488,1489,
/
#
# 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=1299,1300,
igr2=1488,1489,
/
#
# 84 SER QB 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1299,1300,
/
#
# 99 SER 1HB 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1500, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER HA 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1297,1524, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER QB 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1299,1300,
/
#
# 99 SER 1HB 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1524, 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=1297,1521, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE QG2 67 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QD1 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE QD1 69 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE QD1 84 SER HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1319,1320,1321,
/
#
# 85 ILE H 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306,1308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306,1310, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE QD1 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE H 85 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1306,1310, 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= -1,1306, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QD1 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE QG2 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE HA 85 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1308,1310, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 98 ILE HA 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1310, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS HA 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480,1310, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE QD1 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE QG2 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE H 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 85 ILE QG2 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QG2 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE H 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 85 ILE HB 86 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1310,1327, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 70 LYS 1HB 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1064,1327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE QG2 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QG2 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QG2 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QG2 90 PRO 1HB 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=1312,1313,1314,
/
#
# 85 ILE QG2 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QD1 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 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=1312,1313,1314,
igr2=1400,1401,1402,
/
#
# 85 ILE QD1 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 95 LEU QD1 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 85 ILE QG2 91 LEU H 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=1312,1313,1314,
/
#
# 85 ILE QG2 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QG2 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QD1 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=1319,1320,1321,
igr2=1400,1401,1402,
/
#
# 85 ILE QG2 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QG2 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 ILE QD1 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE QD1 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE QD1 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE H 98 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306,1504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE H 97 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1485,1486,
/
#
# 85 ILE QD1 85 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE H 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306,1500, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HA 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1308,1500, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500,1480, 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=1306,1500, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE QD1 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1319,1320,1321,
igr2=1506,1507,1508,
/
#
# 85 ILE QD1 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=1319,1320,1321,
igr2=1513,1514,1515,
/
#
# 85 ILE HA 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1308, -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=1502, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 97 LYS HA 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 85 ILE HA 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 98 ILE HA 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 97 LYS HA 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 85 ILE H 98 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1506,1507,1508,
/
#
# 121 TYR H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 121 TYR H 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 85 ILE H 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 85 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=1319,1320,1321,
igr2=1510,1511,
/
#
# 85 ILE QD1 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=1319,1320,1321,
igr2=1396,1397,1398,
/
#
# 85 ILE QG2 98 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1504, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1312,1313,1314,
/
#
# 85 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=1312,1313,1314,
igr2=1513,1514,1515,
/
#
# 95 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=1457,1458,1459,
igr2=1513,1514,1515,
/
#
# 85 ILE H 99 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306,1521, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE QD1 99 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 85 ILE QD1 100 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 86 ILE HB 53 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 777, 778, 779,
/
#
# 86 ILE HB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 53 ILE QG2 86 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 86 ILE HB 53 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 774, 775,
/
#
# 86 ILE HB 68 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1025,1026,
/
#
# 68 LYS QB 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=1025,1026,
igr2=1348,1349,
/
#
# 86 ILE QG2 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=1070,1071,
/
#
# 70 LYS 2HB 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 86 ILE HB 85 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1308, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE QG2 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1331,1332,1333,
/
#
# 53 ILE QG2 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 770, 771, 772,
/
#
# 86 ILE HB 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE HA 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 86 ILE HB 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1327, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE H 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1325, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 86 ILE QG2 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1331,1332,1333,
/
#
# 86 ILE HB 87 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1344, 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=1344, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1348,1349,
/
#
# 86 ILE H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1325,1346, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE QG2 87 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=1331,1332,1333,
igr2=1348,1349,
/
#
# 86 ILE HB 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 86 ILE H 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1325,1480, 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=1308,1325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 86 ILE QD1 97 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=1338,1339,1340,
igr2=1488,1489,
/
#
# 86 ILE QD1 97 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=1338,1339,1340,
igr2=1488,1489,
/
#
# 87 GLU QG 67 MET HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1351,1352,
/
#
# 87 GLU HA 68 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1031,1032,
/
#
# 87 GLU H 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1331,1332,1333,
/
#
# 87 GLU H 86 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1344,1325, 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=1344,1325, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU QB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1348,1349,
igr2=1338,1339,1340,
/
#
# 86 ILE HB 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 87 GLU H 86 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1338,1339,1340,
/
#
# 98 ILE H 86 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1338,1339,1340,
/
#
# 87 GLU QB 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1348,1349,
/
#
# 87 GLU QG 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1351,1352,
/
#
# 87 GLU QG 86 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1351,1352,
igr2=1331,1332,1333,
/
#
# 87 GLU H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1344,1346, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU QB 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1348,1349,
/
#
# 87 GLU QG 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1351,1352,
/
#
# 87 GLU H 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1344,1346, 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=1351,1352,
igr2=1348,1349,
/
#
# 87 GLU QG 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1351,1352,
/
#
# 87 GLU QB 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1346, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1348,1349,
/
#
# 87 GLU QB 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1348,1349,
/
#
# 87 GLU H 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1344,1359, 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=1346,1359, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU QB 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1348,1349,
/
#
# 87 GLU QG 88 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1351,1352,
/
#
# 87 GLU QG 88 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1351,1352,
/
#
# 67 MET QG 88 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1011,1012,
/
#
# 87 GLU HA 88 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1346,1361, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 87 GLU HA 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1346,1362, 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=1361,1362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 87 GLU QG 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1351,1352,
/
#
# 67 MET QG 88 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1011,1012,
/
#
# 87 GLU HA 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1396,1397,1398,
/
#
# 87 GLU QG 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=1351,1352,
igr2=1391,1392,
/
#
# 87 GLU HA 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1396,1397,1398,
/
#
# 87 GLU HA 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 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=1348,1349,
igr2=1391,1392,
/
#
# 88 GLY H 68 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1031,1032,
/
#
# 88 GLY 1HA 68 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1031,1032,
/
#
# 88 GLY H 88 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1359,1361, 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=1346,1359, 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=1359,1362, 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=1359,1362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY 1HA 90 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1377,1378,
/
#
# 88 GLY 2HA 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1362,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY 1HA 90 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1377,1378,
/
#
# 88 GLY H 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1391,1392,
/
#
# 88 GLY H 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1396,1397,1398,
/
#
# 88 GLY 2HA 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1362,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 88 GLY 2HA 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 88 GLY 2HA 91 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1391,1392,
/
#
# 88 GLY 2HA 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 90 PRO 2HB 90 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1377,1378,
/
#
# 90 PRO 1HB 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1381, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO QG 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1377,1378,
/
#
# 90 PRO 2HB 90 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1377,1378,
/
#
# 90 PRO 1HB 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1381, 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=1380,1383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 2HB 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1381,1383, 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=1380,1383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 2HB 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1381,1383, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 1HB 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 95 LEU 2HB 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 90 PRO 2HB 98 ILE QG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1510,1511,
/
#
# 91 LEU QD1 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 91 LEU QD2 85 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1400,1401,1402,
/
#
# 91 LEU H 90 PRO 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1374, 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=1387,1380, 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=1396,1397,1398,
igr2=1377,1378,
/
#
# 91 LEU QD1 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 91 LEU QD2 90 PRO 1HB 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=1400,1401,1402,
/
#
# 91 LEU QD2 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QB 90 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 91 LEU HA 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389,1380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU HA 90 PRO HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1389,1383, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 92 GLY 1HA 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1408,1383, 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=1387,1389, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QB 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 91 LEU H 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD2 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QB 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 91 LEU QB 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 91 LEU QD1 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 91 LEU HA 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389,1394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QB 91 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=1391,1392,
igr2=1400,1401,1402,
/
#
# 91 LEU QD2 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QD2 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QD2 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QB 91 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=1391,1392,
igr2=1396,1397,1398,
/
#
# 91 LEU QD1 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 91 LEU QB 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 91 LEU QB 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 91 LEU QB 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 91 LEU QD1 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 87 GLU H 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1396,1397,1398,
/
#
# 91 LEU QD1 91 LEU H 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=1396,1397,1398,
/
#
# 98 ILE H 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1396,1397,1398,
/
#
# 91 LEU QD1 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 91 LEU H 92 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 92 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1406,1409, 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=1389,1406, 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=1387,1389, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1448, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 91 LEU QD2 95 LEU H 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=1400,1401,1402,
/
#
# 91 LEU HA 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD1 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 91 LEU HA 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD1 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 95 LEU 1HB 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1510,1511,
/
#
# 95 LEU 1HB 134 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2047,2048,
/
#
# 91 LEU QD2 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QD2 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QD2 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU HA 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389,1449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU HA 90 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389,1380, 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=1389,1448, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU HA 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 85 ILE QD1 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1319,1320,1321,
/
#
# 91 LEU QD2 95 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=1400,1401,1402,
igr2=1453,1454,1455,
/
#
# 91 LEU QB 95 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=1391,1392,
igr2=1453,1454,1455,
/
#
# 95 LEU QD1 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 95 LEU QD1 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 91 LEU HA 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 91 LEU HA 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389,1448, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QB 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 95 LEU 2HB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU HA 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389,1449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QD1 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 91 LEU QD2 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QD2 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=1400,1401,1402,
igr2=1482,1483,
/
#
# 91 LEU H 98 ILE QG1 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=1510,1511,
/
#
# 91 LEU QD1 91 LEU H 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=1396,1397,1398,
/
#
# 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=1400,1401,1402,
igr2=1510,1511,
/
#
# 91 LEU QD1 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=1396,1397,1398,
igr2=1400,1401,1402,
/
#
# 86 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=1331,1332,1333,
igr2=1400,1401,1402,
/
#
# 91 LEU QD2 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=1400,1401,1402,
igr2=1506,1507,1508,
/
#
# 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=1400,1401,1402,
igr2=1513,1514,1515,
/
#
# 91 LEU QB 98 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=1391,1392,
igr2=1510,1511,
/
#
# 91 LEU QB 91 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=1391,1392,
igr2=1396,1397,1398,
/
#
# 91 LEU QD2 98 ILE QG2 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=1400,1401,1402,
igr2=1506,1507,1508,
/
#
# 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=1400,1401,1402,
igr2=1513,1514,1515,
/
#
# 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=1396,1397,1398,
igr2=1506,1507,1508,
/
#
# 91 LEU QD1 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=1396,1397,1398,
igr2=1513,1514,1515,
/
#
# 91 LEU HA 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1510,1511,
/
#
# 91 LEU QD1 91 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 91 LEU QD2 123 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1400,1401,1402,
/
#
# 91 LEU QD1 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 123 THR HA 129 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1969,1970,
/
#
# 91 LEU 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=1391,1392,
igr2=1908,1909,
/
#
# 92 GLY H 92 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1406,1408, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 92 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1406,1409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 1HA 92 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1408,1409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 1HA 92 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1408,1409, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 92 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1406,1408, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 92 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1408, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY 2HA 93 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1417,1418,
/
#
# 92 GLY 1HA 94 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1408,1430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 92 GLY H 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 91 LEU H 95 LEU 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=1453,1454,1455,
/
#
# 95 LEU QD1 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 98 ILE H 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 93 HIS QB 94 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1417,1418,
/
#
# 93 HIS 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=1417,1418,
igr2=1908,1909,
/
#
# 93 HIS QB 124 LYS 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=1417,1418,
igr2=1899,1900,
/
#
# 94 THR QG2 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1436,1437,1438,
/
#
# 94 THR HA 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1432, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1908,1909,
/
#
# 94 THR H 124 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1908,1909,
/
#
# 94 THR QG2 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1940, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1436,1437,1438,
/
#
# 95 LEU 1HB 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1406, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1406, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU H 93 HIS QB 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=1417,1418,
/
#
# 95 LEU HG 94 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1451,1430, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1434, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1885, 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=1449,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU H 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 95 LEU H 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1436,1437,1438,
/
#
# 95 LEU H 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1446, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU H 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1883, 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=1448,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD1 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 123 THR QG2 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 95 LEU 2HB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 95 LEU 1HB 95 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1457,1458,1459,
/
#
# 95 LEU 1HB 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 123 THR QG2 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 95 LEU 2HB 95 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1457,1458,1459,
/
#
# 95 LEU 1HB 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 95 LEU 2HB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 95 LEU 1HB 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 90 PRO 1HB 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1380,1448, 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=1444,1446, 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=1448,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU QB 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1391,1392,
/
#
# 95 LEU 1HB 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1446, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1883, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1444, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU H 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1463, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1463, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS QG 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 95 LEU QD2 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 95 LEU HA 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446,1465, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HA 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1465, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1463, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 96 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1449,1463, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 95 LEU HA 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 95 LEU HA 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446,1465, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD1 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 95 LEU HA 96 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1446,1463, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 95 LEU 2HB 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1465, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1434, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD1 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 123 THR QG2 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 97 LYS QG 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1485,1486,
/
#
# 95 LEU QD2 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 95 LEU 1HB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1478, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1448, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500,1448, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 1HB 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1406, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 95 LEU 2HB 91 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1394, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 95 LEU 1HB 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 95 LEU 1HB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 95 LEU 2HB 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1510,1511,
/
#
# 90 PRO 1HB 98 ILE QG1 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=1510,1511,
/
#
# 95 LEU 1HB 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS HA 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480,1448, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD2 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 95 LEU QD1 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 123 THR QG2 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 95 LEU 2HB 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1847, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD2 121 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1457,1458,1459,
/
#
# 95 LEU 2HB 121 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1449,1848, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 95 LEU QD1 121 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1453,1454,1455,
/
#
# 95 LEU QD1 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 130 ASN 1HB 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 95 LEU H 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1885, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU H 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444,1434, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD1 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 95 LEU QD1 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 95 LEU QD2 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 95 LEU QD2 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 95 LEU 2HB 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1883, 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=1449,1446, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD2 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 95 LEU H 124 LYS QG 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=1902,1903,
/
#
# 95 LEU 1HB 95 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1444, 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=1444,1895, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD2 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 95 LEU HA 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446,1895, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HA 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1895, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 124 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1902,1903,
/
#
# 95 LEU 1HB 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 124 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1905,1906,
/
#
# 95 LEU QD2 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=1457,1458,1459,
igr2=1899,1900,
/
#
# 127 ALA QB 95 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=1942,1943,1944,
igr2=1457,1458,1459,
/
#
# 95 LEU QD2 124 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=1457,1458,1459,
igr2=1908,1909,
/
#
# 95 LEU HA 124 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1446,1895, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 95 LEU 1HB 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1899,1900,
/
#
# 95 LEU 1HB 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1905,1906,
/
#
# 95 LEU 1HB 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1942,1943,1944,
/
#
# 95 LEU HA 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1908,1909,
/
#
# 95 LEU H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1942,1943,1944,
/
#
# 95 LEU QD2 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=1457,1458,1459,
igr2=1965,1966,1967,
/
#
# 95 LEU QD2 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 97 LYS HA 95 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1457,1458,1459,
/
#
# 95 LEU QD2 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1457,1458,1459,
/
#
# 95 LEU QD2 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=1457,1458,1459,
igr2=2050,2051,2052,
/
#
# 95 LEU QD1 134 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=1453,1454,1455,
igr2=2047,2048,
/
#
# 95 LEU 2HB 134 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2047,2048,
/
#
# 91 LEU QD1 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 95 LEU 2HB 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1510,1511,
/
#
# 95 LEU QD1 134 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=1453,1454,1455,
igr2=2047,2048,
/
#
# 95 LEU QD1 129 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=1453,1454,1455,
igr2=1969,1970,
/
#
# 91 LEU QD1 95 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=1396,1397,1398,
igr2=1453,1454,1455,
/
#
# 98 ILE QG1 95 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=1510,1511,
igr2=1453,1454,1455,
/
#
# 96 GLU HA 86 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465,1327, 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=1463,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463,1465, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1470,1471,
/
#
# 96 GLU H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 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=1470,1471,
igr2=1467,1468,
/
#
# 96 GLU H 96 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463,1465, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 96 GLU HA 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 96 GLU HA 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1470,1471,
/
#
# 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=1470,1471,
igr2=1467,1468,
/
#
# 96 GLU HA 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 96 GLU HA 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1470,1471,
/
#
# 96 GLU H 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463,1478, 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=1465,1478, 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= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1470,1471,
/
#
# 96 GLU QB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1467,1468,
/
#
# 96 GLU H 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463,1478, 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=1465,1478, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU HA 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 96 GLU HA 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1905,1906,
/
#
# 96 GLU QG 97 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=1470,1471,
igr2=1482,1483,
/
#
# 96 GLU QG 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=1470,1471,
igr2=1488,1489,
/
#
# 96 GLU H 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 96 GLU H 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 96 GLU H 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1905,1906,
/
#
# 96 GLU H 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1899,1900,
/
#
# 96 GLU H 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463,1895, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU HA 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1908,1909,
/
#
# 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=1467,1468,
igr2=1908,1909,
/
#
# 96 GLU H 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1908,1909,
/
#
# 96 GLU QB 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1467,1468,
/
#
# 96 GLU HA 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465,1897, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 96 GLU QG 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1470,1471,
/
#
# 96 GLU H 124 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1905,1906,
/
#
# 96 GLU QG 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1470,1471,
igr2=1908,1909,
/
#
# 96 GLU QG 124 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1470,1471,
/
#
# 96 GLU QB 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=1467,1468,
igr2=1905,1906,
/
#
# 96 GLU QB 97 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=1467,1468,
igr2=1482,1483,
/
#
# 96 GLU HA 124 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1465, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1908,1909,
/
#
# 97 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=1482,1483,
igr2=1338,1339,1340,
/
#
# 97 LYS HA 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480,1346, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HA 87 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1308,1346, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS HA 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1396,1397,1398,
/
#
# 97 LYS HA 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 85 ILE HA 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 91 LEU QD2 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 97 LYS H 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1478,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 91 LEU H 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1387,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS HA 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 95 LEU QD1 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 97 LYS HA 95 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480,1449, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU 2HB 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1449,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS QG 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1485,1486,
/
#
# 123 THR QG2 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 95 LEU QD1 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 97 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=1485,1486,
igr2=1470,1471,
/
#
# 97 LYS QG 96 GLU 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=1485,1486,
igr2=1467,1468,
/
#
# 97 LYS HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480,1478, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1478,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS H 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1478, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 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=1482,1483,
igr2=1488,1489,
/
#
# 97 LYS HA 97 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1488,1489,
/
#
# 98 ILE HA 97 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1488,1489,
/
#
# 97 LYS H 97 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1478, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1488,1489,
/
#
# 98 ILE H 97 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1488,1489,
/
#
# 97 LYS QG 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1485,1486,
/
#
# 97 LYS QG 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1485,1486,
/
#
# 97 LYS QG 97 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=1485,1486,
igr2=1482,1483,
/
#
# 97 LYS QG 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1485,1486,
/
#
# 97 LYS QG 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1485,1486,
/
#
# 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=1482,1483,
igr2=1488,1489,
/
#
# 97 LYS QG 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1500, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1485,1486,
/
#
# 98 ILE HB 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1500, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS QG 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1485,1486,
igr2=1506,1507,1508,
/
#
# 97 LYS QG 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=1485,1486,
igr2=1513,1514,1515,
/
#
# 98 ILE HB 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 98 ILE HB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 97 LYS QB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1482,1483,
igr2=1506,1507,1508,
/
#
# 97 LYS 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=1482,1483,
igr2=1513,1514,1515,
/
#
# 97 LYS QB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1482,1483,
/
#
# 99 SER H 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519,1825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 97 LYS QB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1482,1483,
/
#
# 98 ILE H 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500,1310, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HB 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1310, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 98 ILE HB 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 98 ILE H 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 91 LEU QD2 91 LEU H 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=1400,1401,1402,
/
#
# 87 GLU H 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 91 LEU QD2 92 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 91 LEU QD2 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1400,1401,1402,
/
#
# 98 ILE HB 91 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1400,1401,1402,
/
#
# 98 ILE QD1 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 ILE QD1 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 ILE QG2 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1506,1507,1508,
/
#
# 98 ILE HB 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1448, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 96 GLU QB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1467,1468,
/
#
# 98 ILE QG1 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1510,1511,
/
#
# 91 LEU QD1 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1396,1397,1398,
/
#
# 98 ILE QG1 97 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=1510,1511,
igr2=1482,1483,
/
#
# 98 ILE HA 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 85 ILE HA 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 97 LYS HA 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 98 ILE H 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 97 LYS H 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1478, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 98 ILE HB 97 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1488,1489,
/
#
# 98 ILE H 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 98 ILE H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 98 ILE H 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1510,1511,
/
#
# 98 ILE H 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 97 LYS H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1478, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 98 ILE H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 97 LYS H 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1478, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 98 ILE QG1 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1510,1511,
igr2=1506,1507,1508,
/
#
# 91 LEU QD1 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=1396,1397,1398,
igr2=1513,1514,1515,
/
#
# 98 ILE QG1 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=1510,1511,
igr2=1513,1514,1515,
/
#
# 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=1396,1397,1398,
igr2=1506,1507,1508,
/
#
# 98 ILE HB 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 98 ILE HB 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 98 ILE HB 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1510,1511,
/
#
# 95 LEU QD1 134 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=1453,1454,1455,
igr2=2047,2048,
/
#
# 85 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=1319,1320,1321,
igr2=1510,1511,
/
#
# 98 ILE QG1 95 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=1510,1511,
igr2=1453,1454,1455,
/
#
# 98 ILE HB 98 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1510,1511,
/
#
# 98 ILE HB 91 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1396,1397,1398,
/
#
# 98 ILE HB 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 85 ILE HA 98 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1308,1504, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HB 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HB 98 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1504,1500, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 98 ILE HB 91 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500,1519, 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= -1,1519, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1506,1507,1508,
/
#
# 98 ILE QD1 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 ILE HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE H 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1500,1519, 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= -1,1519, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1506,1507,1508,
/
#
# 98 ILE QD1 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 ILE QG2 100 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1506,1507,1508,
igr2=1540,1545,
/
#
# 98 ILE QD1 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=1513,1514,1515,
igr2=1540,1545,
/
#
# 98 ILE HB 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 98 ILE QD1 119 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=1513,1514,1515,
igr2=1814,1815,
/
#
# 98 ILE QG2 119 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=1506,1507,1508,
igr2=1814,1815,
/
#
# 98 ILE QG2 119 SER 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=1506,1507,1508,
igr2=1814,1815,
/
#
# 98 ILE QG2 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1506,1507,1508,
/
#
# 98 ILE QG2 120 LYS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1825, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1506,1507,1508,
/
#
# 98 ILE HA 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 5 TYR HA 120 LYS QG 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=1828,1829,
/
#
# 98 ILE H 120 LYS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1500,1825, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 98 ILE QG2 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1506,1507,1508,
/
#
# 100 TYR H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1530, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 98 ILE QD1 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 ILE HA 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 2 VAL HA 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13,1825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE QG1 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1510,1511,
igr2=1851,1860,
/
#
# 98 ILE QD1 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1845, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 ILE QG2 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1845, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1506,1507,1508,
/
#
# 98 ILE QD1 90 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 ILE QD1 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1513,1514,1515,
igr2=1851,1860,
/
#
# 98 ILE QG2 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1506,1507,1508,
igr2=1851,1860,
/
#
# 98 ILE QG2 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1506,1507,1508,
/
#
# 98 ILE QD1 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 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=1506,1507,1508,
igr2=1853,1858,
/
#
# 98 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=1513,1514,1515,
igr2=1853,1858,
/
#
# 98 ILE HB 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1848, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE QD1 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1845, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
/
#
# 98 ILE QG2 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1845, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1506,1507,1508,
/
#
# 98 ILE HA 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1851,1860,
/
#
# 98 ILE HA 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1847, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HA 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1848, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 ILE HA 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1845, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 98 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=1506,1507,1508,
igr2=2050,2051,2052,
/
#
# 98 ILE QD1 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1513,1514,1515,
igr2=2050,2051,2052,
/
#
# 98 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=1506,1507,1508,
igr2=2050,2051,2052,
/
#
# 98 ILE QD1 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1513,1514,1515,
igr2=2050,2051,2052,
/
#
# 98 ILE QG1 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=1510,1511,
igr2=2050,2051,2052,
/
#
# 99 SER H 2 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 17, 18, 19,
/
#
# 99 SER 2HB 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 99 SER HA 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1521,1500, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 2HB 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524,1502, 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=1521, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 99 SER 1HB 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 1HB 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1502, 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=1521,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 2HB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 1HB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 1HB 99 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1524, 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=1521,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 2HB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 1HB 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1519, 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=1521,1524, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 2HB 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524,1532, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519,1532, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 2HB 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 99 SER H 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 99 SER H 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519,1826, 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=1519,1821, 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=1530,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 2HB 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 99 SER 2HB 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1834,1835,
/
#
# 99 SER 1HB 120 LYS QE 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=1834,1835,
/
#
# 99 SER 1HB 120 LYS 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1523,1825, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 99 SER 1HB 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519,1825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 2HB 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 99 SER 2HB 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 99 SER 1HB 120 LYS 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=1831,1832,
/
#
# 99 SER 1HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1821, 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=1530,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER 1HB 120 LYS 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=1828,1829,
/
#
# 99 SER 1HB 97 LYS 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=1488,1489,
/
#
# 99 SER H 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519,1845, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 99 SER H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1519,1877, 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=1530,1297, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1530, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1299,1300,
/
#
# 100 TYR H 99 SER 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1530,1523, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR 2HB 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1535,1297, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 84 SER HA 85 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1297,1310, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1530, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1299,1300,
/
#
# 84 SER H 84 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1299,1300,
/
#
# 30 ILE HA 34 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 518, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 84 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1530,1297, 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=1295,1297, 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=1530,1306, 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=1530,1521, 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=1530,1524, 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=1530,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 99 SER 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1530,1524, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 99 SER 2HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1524,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1530,1534, 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=1530,1535, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1530,1532, 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=1530, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1538,1547,
/
#
# 100 TYR H 100 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1530,1534, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 100 TYR 1HB 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1534,1535, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR 2HB 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1538,1547,
/
#
# 100 TYR 1HB 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1534,1535, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR 2HB 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1535,1532, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR 1HB 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1534,1532, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR H 100 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1530,1535, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 100 TYR 2HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1535,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR 1HB 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1538,1547,
/
#
# 100 TYR 1HB 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 100 TYR HA 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1532,1812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR HA 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1532, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 100 TYR 2HB 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1535,1812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 100 TYR 1HB 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1534,1812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551,1265, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU HA 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1553,1274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 83 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551,1274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551,1534, 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=1551,1532, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1538,1547,
/
#
# 101 GLU HA 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1553,1535, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU H 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 101 GLU H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551,1553, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU HA 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 101 GLU H 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 101 GLU H 101 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1555,1556,
/
#
# 101 GLU HA 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 117 ILE HA 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 101 GLU HA 101 GLU QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1555,1556,
/
#
# 101 GLU HA 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 101 GLU H 102 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551,1568, 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=1553,1566, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU QB 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1555,1556,
/
#
# 101 GLU HA 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1553,1566, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 101 GLU 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=1555,1556,
igr2=1598,1599,
/
#
# 101 GLU QB 103 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=1555,1556,
igr2=1595,1596,
/
#
# 101 GLU 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=1558,1559,
igr2=1598,1599,
/
#
# 101 GLU H 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1551,1800, 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=1551,1800, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 101 GLU 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=1555,1556,
igr2=1834,1835,
/
#
# 102 ILE 1HG1 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1265, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QD1 100 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1579,1580,1581,
/
#
# 117 ILE QG2 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 102 ILE QD1 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1579,1580,1581,
/
#
# 102 ILE 2HG1 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 102 ILE HB 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1553, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HA 101 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1558,1559,
/
#
# 102 ILE H 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 102 ILE 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=1572,1573,1574,
igr2=1558,1559,
/
#
# 102 ILE HB 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1566, 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=1576,1566, 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=1577,1566, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QD1 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1579,1580,1581,
/
#
# 117 ILE QG2 102 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 102 ILE 2HG1 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1579,1580,1581,
/
#
# 102 ILE 1HG1 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1577, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1577, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1576, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 102 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1568, 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=1577, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 102 ILE 1HG1 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1577, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 2HG1 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1577,1781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1576, 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=1577,1568, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 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=1572,1573,1574,
/
#
# 102 ILE HB 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1577, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 23 VAL HB 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1570, 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=1570,1566, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1585, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HA 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1568,1585, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 2HG1 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1577,1585, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1585, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE HB 82 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1570,1263, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE QG2 103 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1572,1573,1574,
/
#
# 102 ILE QD1 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1579,1580,1581,
/
#
# 102 ILE HB 117 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=1783,1784,1785,
/
#
# 102 ILE HB 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=1579,1580,1581,
/
#
# 102 ILE 1HG1 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 117 ILE QG2 100 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 117 ILE HB 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 102 ILE HB 117 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=1783,1784,1785,
/
#
# 102 ILE HA 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 103 LYS H 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 103 LYS H 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 103 LYS H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585,1587, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1595,1596,
igr2=1598,1599,
/
#
# 103 LYS QB 103 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=1589,1590,
igr2=1595,1596,
/
#
# 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=1592,1593,
igr2=1598,1599,
/
#
# 103 LYS QG 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1592,1593,
/
#
# 103 LYS H 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 103 LYS QB 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1589,1590,
/
#
# 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=1595,1596,
igr2=1598,1599,
/
#
# 103 LYS QG 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1587, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1592,1593,
/
#
# 103 LYS H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585,1587, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS QG 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1592,1593,
/
#
# 103 LYS H 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 102 ILE 1HG1 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1585, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS H 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1765,1766,
/
#
# 103 LYS QB 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1589,1590,
igr2=1759,1760,
/
#
# 8 GLU QB 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1= 110, 111,
igr2=1759,1760,
/
#
# 103 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=1589,1590,
igr2=1768,1769,
/
#
# 103 LYS QB 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1589,1590,
igr2=1765,1766,
/
#
# 103 LYS QG 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1800, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1592,1593,
/
#
# 104 MET QB 15 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1611,1612,
/
#
# 104 MET QB 19 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1611,1612,
/
#
# 19 PHE 1HB 20 LYS QB 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= 296, 297,
/
#
# 104 MET 2HG 79 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1615, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1204,1205,
/
#
# 104 MET QB 79 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1611,1612,
/
#
# 104 MET 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=1611,1612,
igr2=1227,1228,
/
#
# 104 MET 1HG 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 1HG 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 104 MET QB 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=1611,1612,
igr2=1572,1573,1574,
/
#
# 103 LYS QB 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=1589,1590,
igr2=1572,1573,1574,
/
#
# 104 MET HA 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 104 MET QB 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1611,1612,
/
#
# 104 MET 2HG 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1615, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1592,1593,
/
#
# 104 MET 2HG 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1615,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 83 TYR H 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1534, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET QB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1611,1612,
/
#
# 104 MET 1HG 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1615, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 1HG 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1615, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 1HG 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET QB 104 MET 1HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1611,1612,
/
#
# 104 MET QB 104 MET H 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=1611,1612,
/
#
# 104 MET QB 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1611,1612,
/
#
# 104 MET HA 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1607, 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=1624,1609, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET HA 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1628,1629,1630,
/
#
# 104 MET HA 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1628,1629,1630,
/
#
# 104 MET HA 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1710,1711,
/
#
# 113 SER HA 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1710,1711,
/
#
# 104 MET HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1717, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET QB 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1611,1612,
/
#
# 104 MET HA 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 104 MET HA 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 8 GLU HA 115 LEU 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=1740,1741,
/
#
# 104 MET HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1755, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108,1755, 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=1607,1755, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1755, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 2HG 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1615, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 104 MET HA 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 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=1759,1760,
/
#
# 104 MET HA 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 105 ALA HA 80 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1233,1234,
/
#
# 105 ALA H 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 104 MET H 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 105 ALA H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1587, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET H 103 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1607,1587, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1628,1629,1630,
igr2=1589,1590,
/
#
# 105 ALA H 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1609, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 8 GLU HA 8 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 106, 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=1624,1614, 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=1624,1615, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 104 MET 2HG 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1615,1607, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA QB 105 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 105 ALA H 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1628,1629,1630,
/
#
# 105 ALA QB 104 MET H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 105 ALA H 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1634, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA QB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 105 ALA H 106 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1636, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 105 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 105 ALA QB 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 114 ILE QG1 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1727,1728,
/
#
# 106 ALA QB 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 105 ALA QB 107 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1628,1629,1630,
/
#
# 105 ALA QB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 105 ALA H 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1710,1711,
/
#
# 105 ALA H 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1717, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA QB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 105 ALA H 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1717, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 105 ALA QB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 105 ALA H 115 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1743, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 106 ALA QB 15 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1638,1639,1640,
igr2= 206, 207,
/
#
# 106 ALA QB 15 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 106 ALA H 105 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1634,1626, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA QB 105 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 106 ALA QB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 105 ALA QB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 106 ALA QB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 106 ALA H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1634,1636, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA H 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1634,1646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1634,1636, 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=1634,1644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 105 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1628,1629,1630,
/
#
# 106 ALA H 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1634,1644, 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= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 106 ALA QB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 106 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 106 ALA HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1636,1644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA HA 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1710,1711,
/
#
# 106 ALA QB 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1708, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 107 ALA QB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 107 ALA QB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 10 THR HB 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1648,1649,1650,
/
#
# 107 ALA QB 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 107 ALA HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 106 ALA HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1636,1644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA QB 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 107 ALA HA 107 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1646,1644, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 107 ALA H 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1655,1656,
/
#
# 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=1648,1649,1650,
igr2=1658,1659,
/
#
# 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=1648,1649,1650,
igr2=1655,1656,
/
#
# 112 GLY 2HA 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1648,1649,1650,
/
#
# 107 ALA H 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1655,1656,
/
#
# 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=1648,1649,1650,
igr2=1658,1659,
/
#
# 10 THR QG2 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= 137, 138, 139,
igr2=1658,1659,
/
#
# 107 ALA HA 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1655,1656,
/
#
# 107 ALA QB 109 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 107 ALA QB 109 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 107 ALA QB 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1648,1649,1650,
igr2=1672,1673,
/
#
# 10 THR QG2 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 137, 138, 139,
igr2=1672,1673,
/
#
# 107 ALA QB 112 GLY 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=1648,1649,1650,
/
#
# 107 ALA QB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1648,1649,1650,
/
#
# 107 ALA QB 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1648,1649,1650,
igr2=1727,1728,
/
#
# 108 PRO QD 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1655,1656,
/
#
# 108 PRO 1HB 108 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1661,1662, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 108 PRO QG 108 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1658,1659,
/
#
# 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=1655,1656,
igr2=1658,1659,
/
#
# 108 PRO QD 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1655,1656,
/
#
# 108 PRO HA 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1658,1659,
/
#
# 107 ALA HA 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1658,1659,
/
#
# 10 THR HB 108 PRO QG 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=1658,1659,
/
#
# 108 PRO HA 108 PRO 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1664,1662, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 108 PRO HA 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1664,1661, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 108 PRO QD 108 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1655,1656,
/
#
# 10 THR HB 108 PRO QD 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=1655,1656,
/
#
# 107 ALA HA 108 PRO QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1655,1656,
/
#
# 108 PRO HA 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1658,1659,
/
#
# 108 PRO QG 108 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1658,1659,
/
#
# 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=1655,1656,
igr2=1658,1659,
/
#
# 108 PRO QG 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1658,1659,
/
#
# 108 PRO QD 108 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1655,1656,
/
#
# 108 PRO QD 108 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1655,1656,
/
#
# 108 PRO HA 108 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1664,1662, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 108 PRO QG 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1658,1659,
/
#
# 108 PRO HA 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1664,1661, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 107 ALA HA 108 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1661, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 108 PRO 1HB 108 PRO 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1661,1662, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 108 PRO QD 109 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1655,1656,
/
#
# 108 PRO QD 109 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1655,1656,
/
#
# 109 HIS H 108 PRO HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1668,1664, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 109 HIS H 108 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1668, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1658,1659,
/
#
# 109 HIS H 109 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1668,1670, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 109 HIS H 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1668, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1672,1673,
/
#
# 109 HIS QB 109 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1681, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1672,1673,
/
#
# 109 HIS HA 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1672,1673,
/
#
# 109 HIS HA 110 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1670,1687, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 109 HIS QB 110 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1672,1673,
/
#
# 112 GLY 2HA 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1672,1673,
/
#
# 108 PRO QD 109 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1655,1656,
igr2=1672,1673,
/
#
# 109 HIS QB 111 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=1672,1673,
igr2=1694,1695,
/
#
# 110 GLY 1HA 110 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1687,1688, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 110 GLY 1HA 110 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1687,1688, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 111 GLY H 110 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1692,1687, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1702,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 111 GLY QA 110 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1688, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1694,1695,
/
#
# 111 GLY H 110 GLY 1HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1692,1687, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 111 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=1694,1695,
/
#
# 111 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=1694,1695,
/
#
# 112 GLY 2HA 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1648,1649,1650,
/
#
# 112 GLY H 111 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, /
#
# 112 GLY H 111 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, /
#
# 112 GLY 1HA 111 GLY H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1701,1692, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 11 SER H 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 111 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1702,1692, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 11 SER H 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145,1702, 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=1699, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1694,1695,
/
#
# 112 GLY 2HA 111 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1694,1695,
/
#
# 111 GLY QA 110 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1694,1695,
/
#
# 112 GLY 1HA 112 GLY 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, /
#
# 112 GLY 2HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1702,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 2HA 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1702,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 112 GLY 1HA 113 SER QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1710,1711,
/
#
# 113 SER H 12 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706, 156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 37 HIS H 36 GLN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 559, 542, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 13 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706, 174, 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=1706, 158, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 18 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 266, 267, 268,
/
#
# 114 ILE QD1 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 113 SER HA 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1636, 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=1708,1644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 107 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1648,1649,1650,
/
#
# 113 SER H 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1648,1649,1650,
/
#
# 113 SER HA 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1644, 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=1708,1646, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER HA 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1636, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 36 GLN H 36 GLN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 542, 544, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 112 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1699, 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=1706,1699, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 112 GLY 2HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1702, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 112 GLY 1HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1701, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1708, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 113 SER H 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1727,1728,
/
#
# 113 SER HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1708,1717, 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=1708,1717, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QG2 8 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=1723,1724,1725,
igr2= 113, 114,
/
#
# 114 ILE QG2 9 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 123, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 114 ILE HA 10 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, 131, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 10 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, 133, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU HA 114 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1721, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 10 THR HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1721, 133, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 114 ILE HA 10 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, 133, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU HA 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1719, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 10 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, 135, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 10 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, 133, 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=1719, 145, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 18 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 266, 267, 268,
/
#
# 114 ILE HA 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1730,1731,1732,
/
#
# 114 ILE HB 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1611,1612,
/
#
# 114 ILE HB 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1624, 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= -1,1624, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 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=1730,1731,1732,
igr2=1628,1629,1630,
/
#
# 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=1730,1731,1732,
igr2=1727,1728,
/
#
# 114 ILE HB 105 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1624, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QG2 105 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, 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=1730,1731,1732,
igr2=1628,1629,1630,
/
#
# 114 ILE QG2 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=1628,1629,1630,
/
#
# 114 ILE HB 105 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1628,1629,1630,
/
#
# 114 ILE HB 106 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1634, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1717,1636, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QG2 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 114 ILE QG1 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1727,1728,
/
#
# 106 ALA QB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1638,1639,1640,
/
#
# 114 ILE HB 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1636, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1717,1636, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QD1 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 114 ILE H 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1717,1644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE H 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1717,1644, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1730,1731,1732,
igr2=1648,1649,1650,
/
#
# 114 ILE QD1 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 10 THR HB 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1730,1731,1732,
/
#
# 114 ILE QD1 106 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 114 ILE HB 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1648,1649,1650,
/
#
# 114 ILE HA 107 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1648,1649,1650,
/
#
# 114 ILE QD1 107 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 114 ILE QD1 107 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 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=1730,1731,1732,
igr2=1648,1649,1650,
/
#
# 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=1730,1731,1732,
igr2=1658,1659,
/
#
# 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=1730,1731,1732,
igr2=1655,1656,
/
#
# 114 ILE QG1 108 PRO 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=1727,1728,
igr2=1655,1656,
/
#
# 114 ILE QG1 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=1727,1728,
igr2=1658,1659,
/
#
# 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=1730,1731,1732,
igr2=1658,1659,
/
#
# 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=1730,1731,1732,
igr2=1655,1656,
/
#
# 114 ILE QG1 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=1727,1728,
igr2=1658,1659,
/
#
# 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=1727,1728,
igr2=1655,1656,
/
#
# 106 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=1638,1639,1640,
igr2=1655,1656,
/
#
# 105 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=1628,1629,1630,
igr2=1655,1656,
/
#
# 114 ILE HA 113 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719,1706, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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, /
#
# 114 ILE H 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1710,1711,
/
#
# 114 ILE H 113 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1710,1711,
/
#
# 114 ILE QD1 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1708, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 114 ILE HA 113 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719,1708, 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=1721,1717, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QD1 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 114 ILE HA 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719,1717, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1730,1731,1732,
/
#
# 114 ILE HA 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1730,1731,1732,
/
#
# 114 ILE HB 114 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1719, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QG2 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1723,1724,1725,
/
#
# 114 ILE QG2 115 LEU H 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=1723,1724,1725,
/
#
# 114 ILE QD1 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1730,1731,1732,
/
#
# 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=1730,1731,1732,
igr2=1727,1728,
/
#
# 114 ILE HB 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 114 ILE 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=1723,1724,1725,
igr2=1727,1728,
/
#
# 114 ILE HB 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 114 ILE QG2 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1723,1724,1725,
igr2=1765,1766,
/
#
# 114 ILE 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=1723,1724,1725,
igr2=1727,1728,
/
#
# 114 ILE HB 114 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1730,1731,1732,
/
#
# 114 ILE HB 114 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1727,1728,
/
#
# 114 ILE HB 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1717, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HB 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE HA 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 114 ILE HB 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QG1 115 LEU H 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=1727,1728,
/
#
# 114 ILE QD1 115 LEU H 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=1730,1731,1732,
/
#
# 114 ILE HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1719,1736, 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=1719,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 114 ILE QG1 115 LEU H 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=1727,1728,
/
#
# 114 ILE QG1 114 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1727,1728,
/
#
# 114 ILE QG2 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1723,1724,1725,
igr2=1759,1760,
/
#
# 114 ILE QG2 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1723,1724,1725,
igr2=1765,1766,
/
#
# 114 ILE QG2 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1723,1724,1725,
igr2=1759,1760,
/
#
# 115 LEU HA 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 115 LEU HA 8 GLU QB 1.85 6.00
# &rst
# ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
# igr2= 110, 111,
# /
#
# 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=1745,1746,1747,
/
#
# 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=1745,1746,1747,
/
#
# 115 LEU QD1 22 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1745,1746,1747,
/
#
# 115 LEU HA 11 SER 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, 150, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU HA 15 PRO HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1738, 215, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 115 LEU HA 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, 274, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU QD2 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=1749,1750,1751,
/
#
# 115 LEU QD2 19 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1749,1750,1751,
/
#
# 115 LEU HA 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 102 ILE HA 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 115 LEU QD2 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1749,1750,1751,
igr2=1592,1593,
/
#
# 115 LEU HA 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 102 ILE HA 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 116 LYS HA 103 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1589,1590,
/
#
# 115 LEU QD2 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1749,1750,1751,
igr2=1592,1593,
/
#
# 115 LEU QD2 15 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1749,1750,1751,
/
#
# 115 LEU HA 104 MET HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1738,1609, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 115 LEU QD2 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1749,1750,1751,
/
#
# 115 LEU QD2 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1749,1750,1751,
igr2=1611,1612,
/
#
# 115 LEU QD2 104 MET HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1749,1750,1751,
/
#
# 8 GLU HA 115 LEU QD2 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=1749,1750,1751,
/
#
# 115 LEU HA 114 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1723,1724,1725,
/
#
# 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=1723,1724,1725,
/
#
# 115 LEU H 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1736, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 10 THR QG2 115 LEU H 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= 137, 138, 139,
/
#
# 115 LEU QD1 115 LEU H 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=1745,1746,1747,
/
#
# 115 LEU HA 115 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1736, 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= 133,1736, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU H 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1736, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 114 ILE H 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 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=1745,1746,1747,
igr2=1749,1750,1751,
/
#
# 115 LEU QD1 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1745,1746,1747,
igr2=1740,1741,
/
#
# 115 LEU HA 115 LEU QD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1749,1750,1751,
/
#
# 115 LEU QD2 115 LEU H 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=1749,1750,1751,
/
#
# 115 LEU QD2 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1749,1750,1751,
/
#
# 115 LEU QD1 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1745,1746,1747,
/
#
# 115 LEU QD2 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1749,1750,1751,
igr2=1740,1741,
/
#
# 115 LEU QD1 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1745,1746,1747,
igr2=1740,1741,
/
#
# 115 LEU H 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1736,1743, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 103 LYS H 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585,1743, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU QD2 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1749,1750,1751,
/
#
# 115 LEU HA 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1743, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU HA 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 115 LEU HA 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 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=1740,1741,
/
#
# 116 LYS HA 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1740,1741,
/
#
# 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=1745,1746,1747,
igr2=1749,1750,1751,
/
#
# 115 LEU QD2 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1749,1750,1751,
igr2=1740,1741,
/
#
# 115 LEU HA 115 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1749,1750,1751,
/
#
# 115 LEU QB 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1740,1741,
/
#
# 115 LEU QD1 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1745,1746,1747,
/
#
# 115 LEU HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1755, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757,1755, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 LEU HA 116 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1762,1763,
/
#
# 116 LYS HA 116 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1762,1763,
/
#
# 115 LEU QD2 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1749,1750,1751,
igr2=1759,1760,
/
#
# 115 LEU QD2 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1749,1750,1751,
/
#
# 115 LEU HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757,1777, 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=1738,1777, 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= 121,1738, 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=1738,1755, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 115 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=1745,1746,1747,
igr2=2210,2214,
/
#
# 116 LYS H 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1755, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 9 ALA H 8 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 113, 114,
/
#
# 116 LYS HA 8 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 110, 111,
/
#
# 116 LYS QG 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1762,1763,
/
#
# 116 LYS HA 104 MET 2HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757,1615, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS HA 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757,1743, 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=1738,1743, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS HA 115 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1745,1746,1747,
/
#
# 10 THR HA 115 LEU QD1 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=1745,1746,1747,
/
#
# 115 LEU HA 115 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1745,1746,1747,
/
#
# 116 LYS QB 115 LEU H 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=1759,1760,
/
#
# 103 LYS H 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 116 LYS QG 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1762,1763,
/
#
# 102 ILE 2HG1 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1577,1743, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS QB 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1759,1760,
/
#
# 116 LYS QG 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1762,1763,
/
#
# 116 LYS QE 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=1768,1769,
igr2=1765,1766,
/
#
# 116 LYS HA 116 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1765,1766,
/
#
# 115 LEU HA 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1765,1766,
/
#
# 116 LYS QG 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1762,1763,
igr2=1765,1766,
/
#
# 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=1762,1763,
igr2=1759,1760,
/
#
# 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=1762,1763,
igr2=1768,1769,
/
#
# 116 LYS HA 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 115 LEU HA 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 116 LYS QG 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1762,1763,
igr2=1765,1766,
/
#
# 116 LYS QE 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=1768,1769,
igr2=1765,1766,
/
#
# 116 LYS HA 116 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1757,1755, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 116 LYS HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1757,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP H 116 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94,1757, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 116 LYS QG 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1762,1763,
/
#
# 116 LYS QG 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1762,1763,
/
#
# 116 LYS HA 118 THR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1757,1796, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 117 ILE QG2 100 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1534, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 117 ILE QD1 102 ILE 2HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 117 ILE HB 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 80 LYS 2HB 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 102 ILE 1HG1 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 117 ILE HA 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 101 GLU HA 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 117 ILE QG2 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 103 LYS H 102 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1585, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1572,1573,1574,
/
#
# 117 ILE HA 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779,1585, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE QG2 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1585, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 117 ILE QD1 115 LEU H 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=1790,1791,1792,
/
#
# 117 ILE QD1 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=1790,1791,1792,
igr2=1745,1746,1747,
/
#
# 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=1745,1746,1747,
/
#
# 117 ILE 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=1790,1791,1792,
igr2=1749,1750,1751,
/
#
# 117 ILE QD1 115 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 117 ILE QD1 115 LEU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1790,1791,1792,
igr2=1740,1741,
/
#
# 18 LEU QQD 115 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=1740,1741,
/
#
# 117 ILE 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=1790,1791,1792,
igr2=1749,1750,1751,
/
#
# 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=1749,1750,1751,
/
#
# 117 ILE QD1 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 117 ILE QD1 116 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=1790,1791,1792,
igr2=1762,1763,
/
#
# 117 ILE H 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1777, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1765,1766,
/
#
# 116 LYS H 116 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1755, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1765,1766,
/
#
# 117 ILE HA 116 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779,1755, 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=1551,1779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE HB 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1781,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 102 ILE 1HG1 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE QG2 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 117 ILE QD1 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 117 ILE HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE QD1 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 117 ILE HA 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 117 ILE HB 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1781,1779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 117 ILE QD1 117 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 117 ILE QD1 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 117 ILE QD1 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1790,1791,1792,
/
#
# 117 ILE HB 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1781, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 117 ILE QD1 117 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1777, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1790,1791,1792,
/
#
# 117 ILE HA 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 117 ILE HA 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1779, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1579,1580,1581,
/
#
# 117 ILE QG2 119 SER 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=1783,1784,1785,
igr2=1814,1815,
/
#
# 117 ILE QG2 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1812, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1783,1784,1785,
/
#
# 117 ILE QD1 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1790,1791,1792,
igr2=2158,2159,2160,
/
#
# 117 ILE QD1 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1790,1791,1792,
igr2=2158,2159,2160,
/
#
# 117 ILE QD1 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1790,1791,1792,
igr2=2168,2169,2170,
/
#
# 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=1802,1803,1804,
/
#
# 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=1802,1803,1804,
igr2= 83, 84,
/
#
# 118 THR QG2 7 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR HB 82 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1800,1265, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1532, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR H 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1551, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1553, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 101 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242,1553, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1779, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR H 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1551, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HA 101 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1798,1551, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 118 THR HA 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 7 ASP H 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 94,1798, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HB 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 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=1802,1803,1804,
igr2=1558,1559,
/
#
# 118 THR HB 101 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1558,1559,
/
#
# 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=1802,1803,1804,
igr2=1555,1556,
/
#
# 118 THR HB 101 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1555,1556,
/
#
# 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=1802,1803,1804,
igr2=1558,1559,
/
#
# 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=1802,1803,1804,
igr2= 86, 87,
/
#
# 118 THR QG2 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR QG2 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR H 102 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1570, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1576, 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=1796,1781, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 81 TYR H 102 ILE 1HG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242,1576, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 80 LYS 2HB 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1225,1242, 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=1796,1568, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 102 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1579,1580,1581,
/
#
# 118 THR H 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 118 THR H 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1592,1593,
/
#
# 81 TYR H 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1592,1593,
/
#
# 80 LYS 1HB 81 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR H 103 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1585, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 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=1802,1803,1804,
igr2=1598,1599,
/
#
# 118 THR H 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1592,1593,
/
#
# 81 TYR H 103 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1592,1593,
/
#
# 118 THR H 116 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1759,1760,
/
#
# 118 THR HA 116 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1768,1769,
/
#
# 118 THR QG2 116 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=1802,1803,1804,
igr2=1762,1763,
/
#
# 118 THR QG2 116 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=1802,1803,1804,
igr2=1768,1769,
/
#
# 118 THR H 117 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1777, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HB 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 118 THR H 117 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1783,1784,1785,
/
#
# 118 THR H 117 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1779, 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=1796,1800, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR QG2 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1800, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR H 118 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1796,1800, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 118 THR QG2 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1798, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR HA 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 118 THR HA 118 THR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1798,1796, 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= -1,1800, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR QG2 118 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1798, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 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=1802,1803,1804,
/
#
# 118 THR QG2 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR HA 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798,1810, 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= 81,1810, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HA 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798,1810, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HA 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798,1812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 118 THR HA 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 118 THR QG2 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1812, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR QG2 119 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 118 THR HB 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 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=1802,1803,1804,
igr2=1831,1832,
/
#
# 118 THR QG2 120 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=1802,1803,1804,
igr2=1834,1835,
/
#
# 119 SER QB 100 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1814,1815,
igr2=1540,1545,
/
#
# 119 SER H 101 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1810,1551, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER H 118 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1810,1800, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER H 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1810,1796, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER H 118 THR HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1810,1800, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 119 SER H 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1810, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 119 SER H 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1810,1812, 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=1810, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 119 SER QB 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1812, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1814,1815,
/
#
# 99 SER 1HB 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER QB 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1812, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1814,1815,
/
#
# 99 SER 1HB 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 119 SER HA 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1834,1835,
/
#
# 119 SER QB 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1814,1815,
igr2=1853,1858,
/
#
# 119 SER 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=1814,1815,
igr2=2105,2106,
/
#
# 119 SER QB 141 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=1814,1815,
igr2=2158,2159,2160,
/
#
# 120 LYS HA 2 VAL QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 21, 22, 23,
/
#
# 120 LYS 2HB 2 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 21, 22, 23,
/
#
# 120 LYS 1HB 2 VAL QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1825, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 21, 22, 23,
/
#
# 120 LYS QG 2 VAL 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=1828,1829,
igr2= 21, 22, 23,
/
#
# 120 LYS QG 2 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=1828,1829,
igr2= 17, 18, 19,
/
#
# 120 LYS HA 4 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, 47, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 4 CYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2= 51, 52,
/
#
# 120 LYS HA 4 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, 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=1823, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 5 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, 63, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 3 PHE 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, 31, 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=1823, 58, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 5 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1823, 62, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 120 LYS HA 3 PHE 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, 32, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 120 LYS HA 99 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823,1519, 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=1821,1532, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS H 100 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1538,1547,
/
#
# 120 LYS H 100 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1821,1532, 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=1551,1532, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS QG 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=1828,1829,
igr2=1555,1556,
/
#
# 120 LYS H 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 99 SER 1HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS H 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1821,1812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS QG 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=1828,1829,
igr2=1814,1815,
/
#
# 120 LYS H 119 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1814,1815,
/
#
# 120 LYS 1HB 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825,1812, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS QG 119 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1812, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1828,1829,
/
#
# 120 LYS 1HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS H 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 120 LYS QG 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1828,1829,
/
#
# 120 LYS 2HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1826,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 2HB 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1834,1835,
/
#
# 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=1828,1829,
igr2=1834,1835,
/
#
# 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=1831,1832,
igr2=1834,1835,
/
#
# 120 LYS 2HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1826,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 1HB 120 LYS QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1825, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1828,1829,
/
#
# 120 LYS 1HB 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 2HB 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 120 LYS 1HB 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1828,1829,
igr2=1834,1835,
/
#
# 120 LYS 2HB 120 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1834,1835,
/
#
# 120 LYS 2HB 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1826,1848, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1831,1832,
igr2=1834,1835,
/
#
# 120 LYS HA 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823,1825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS HA 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 120 LYS 1HB 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1834,1835,
/
#
# 120 LYS 1HB 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 120 LYS QG 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1828,1829,
/
#
# 120 LYS HA 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 120 LYS 2HB 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 120 LYS 1HB 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 120 LYS HA 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 120 LYS 1HB 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS 1HB 120 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1834,1835,
/
#
# 120 LYS 1HB 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825,1848, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1828,1829,
igr2=1831,1832,
/
#
# 120 LYS HA 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 120 LYS H 120 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1831,1832,
/
#
# 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=1828,1829,
igr2=1831,1832,
/
#
# 120 LYS 1HB 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1825, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 120 LYS 1HB 121 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1825,1847, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 122 HIS QB 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1825, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1868,1869,
/
#
# 120 LYS HA 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1823,1845, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 2 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 17, 18, 19,
/
#
# 121 TYR H 4 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, 49, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 5 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, 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=1843,1519, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 118 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1802,1803,1804,
/
#
# 118 THR QG2 118 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1802,1803,1804,
/
#
# 121 TYR H 120 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1823, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 121 TYR H 120 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1821, 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=1843,1821, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1828,1829,
/
#
# 121 TYR H 120 LYS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1825, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 120 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1823, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR H 120 LYS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1826, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1851,1860,
/
#
# 121 TYR H 121 TYR QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1853,1858,
/
#
# 121 TYR H 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1847, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1848, 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=1843,1845, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR HA 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1845,1848, 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=1847,1848, 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=1847,1848, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843,1847, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 121 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1848, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 121 TYR QD 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1851,1860,
/
#
# 121 TYR QD 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1851,1860,
/
#
# 121 TYR HA 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1845,1848, 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=1843,1845, 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=1843,1864, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR H 4 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1843, 47, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 121 TYR 2HB 129 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1848,1961, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 130 ASN 1HB 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1961, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 2 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866, 13, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 2 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 17, 18, 19,
/
#
# 122 HIS H 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 95 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1457,1458,1459,
/
#
# 122 HIS H 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1448, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 122 HIS HA 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1446, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1446, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1883, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1463, 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=1463,1895, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS QB 96 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1868,1869,
igr2=1470,1471,
/
#
# 122 HIS QB 96 GLU 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=1868,1869,
igr2=1467,1468,
/
#
# 122 HIS QB 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=1868,1869,
igr2=1467,1468,
/
#
# 122 HIS QB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1868,1869,
/
#
# 122 HIS HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1478, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1478, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1478, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 98 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1500, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 97 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1482,1483,
/
#
# 122 HIS QB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1868,1869,
/
#
# 122 HIS QB 122 HIS HE1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1873, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1868,1869,
/
#
# 122 HIS QB 97 LYS 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=1868,1869,
igr2=1482,1483,
/
#
# 122 HIS QB 97 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=1868,1869,
igr2=1482,1483,
/
#
# 122 HIS H 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 97 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1480, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 98 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
/
#
# 122 HIS H 98 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1506,1507,1508,
/
#
# 122 HIS HA 98 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1502, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 121 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1845, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 121 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1851,1860,
/
#
# 122 HIS H 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 122 HIS H 122 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1866, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 122 HIS HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1877, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 122 HIS HA 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 122 HIS H 122 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1866, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS QB 122 HIS HD2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1877, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1868,1869,
/
#
# 122 HIS HA 122 HIS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1866, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1868,1869,
/
#
# 122 HIS H 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1881, 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=1866,1881, 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=1866, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1887,1888,1889,
/
#
# 122 HIS HA 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1881, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1883, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864,1883, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HA 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1895, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1885, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS HA 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1866,1897, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 122 HIS H 123 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1887,1888,1889,
/
#
# 123 THR QG2 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR QG2 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1978, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR H 2 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 17, 18, 19,
/
#
# 123 THR HA 94 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1432, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HA 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1434, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HA 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1885, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HA 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1897, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 95 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1457,1458,1459,
/
#
# 123 THR QG2 95 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=1887,1888,1889,
igr2=1457,1458,1459,
/
#
# 98 ILE HB 95 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1457,1458,1459,
/
#
# 95 LEU QD1 95 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=1453,1454,1455,
igr2=1457,1458,1459,
/
#
# 123 THR QG2 95 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR QG2 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 95 LEU QD1 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 123 THR HA 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1463, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446,1463, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HA 96 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1883,1463, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 123 THR QG2 96 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=1887,1888,1889,
igr2=1467,1468,
/
#
# 123 THR HA 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 95 LEU HA 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 123 THR HA 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 123 THR HA 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1478, 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=1446,1478, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 123 THR H 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 123 THR HA 122 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1868,1869,
/
#
# 123 THR HA 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1847, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881,1883, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881,1885, 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= -1,1881, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR QG2 123 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR H 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881,1883, 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= -1,1885, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR QG2 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR QG2 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR QG2 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR QG2 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 95 LEU QD1 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 123 THR HA 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1885, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU HA 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446,1885, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881,1895, 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=1864,1881, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR HB 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1885,1895, 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=1895,1897, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881,1895, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881,1897, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 123 THR HA 124 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1908,1909,
/
#
# 123 THR HA 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1899,1900,
/
#
# 95 LEU HA 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1899,1900,
/
#
# 123 THR HB 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1885,1895, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HB 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1885,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1942,1943,1944,
/
#
# 123 THR QG2 127 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 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=1887,1888,1889,
igr2=1942,1943,1944,
/
#
# 123 THR QG2 128 SER 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=1887,1888,1889,
igr2=1952,1953,
/
#
# 1 GLY QA 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= 6, 7,
igr2=1887,1888,1889,
/
#
# 123 THR QG2 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1959, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 129 ILE H 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959,1963, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1887,1888,1889,
igr2=1965,1966,1967,
/
#
# 95 LEU 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=1453,1454,1455,
igr2=1965,1966,1967,
/
#
# 129 ILE HB 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=1965,1966,1967,
/
#
# 123 THR QG2 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 129 ILE HB 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1963,1961, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 95 LEU QD1 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
/
#
# 123 THR QG2 129 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=1887,1888,1889,
igr2=1969,1970,
/
#
# 95 LEU QD1 129 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=1453,1454,1455,
igr2=1969,1970,
/
#
# 129 ILE HB 129 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1963, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1969,1970,
/
#
# 123 THR HA 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1883,1959, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1887,1888,1889,
igr2=1972,1973,1974,
/
#
# 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=1887,1888,1889,
igr2=1965,1966,1967,
/
#
# 123 THR QG2 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1959, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 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=1887,1888,1889,
igr2=1972,1973,1974,
/
#
# 129 ILE QD1 129 ILE HB 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=1972,1973,1974,
/
#
# 129 ILE QD1 95 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=1972,1973,1974,
igr2=1453,1454,1455,
/
#
# 123 THR QG2 130 ASN 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1887,1888,1889,
/
#
# 130 ASN 1HB 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1963, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 95 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1453,1454,1455,
/
#
# 123 THR HB 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1885,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR HB 125 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1919,1920,
/
#
# 123 THR QG2 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 124 LYS QG 94 THR H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1902,1903,
/
#
# 124 LYS QB 94 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1899,1900,
/
#
# 124 LYS QD 94 THR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1905,1906,
/
#
# 124 LYS H 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895,1451, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS QG 95 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=1902,1903,
igr2=1457,1458,1459,
/
#
# 95 LEU 1HB 95 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1457,1458,1459,
/
#
# 124 LYS QG 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 124 LYS QG 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 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=1902,1903,
igr2=1467,1468,
/
#
# 124 LYS H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 122 HIS H 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1864, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 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=1902,1903,
igr2=1470,1471,
/
#
# 124 LYS QG 96 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 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=1902,1903,
igr2=1467,1468,
/
#
# 95 LEU 1HB 96 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1467,1468,
/
#
# 124 LYS QG 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 95 LEU 1HB 97 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1478, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 124 LYS QG 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 124 LYS QG 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 124 LYS H 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1899,1900,
/
#
# 127 ALA QB 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 124 LYS QG 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 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=1902,1903,
igr2=1899,1900,
/
#
# 124 LYS H 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895,1897, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=1899,1900,
igr2=1908,1909,
/
#
# 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=1905,1906,
igr2=1908,1909,
/
#
# 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=1902,1903,
igr2=1908,1909,
/
#
# 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=1902,1903,
igr2=1905,1906,
/
#
# 124 LYS H 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1899,1900,
/
#
# 124 LYS QB 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1899,1900,
/
#
# 123 THR HB 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1899,1900,
/
#
# 124 LYS QG 124 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1902,1903,
/
#
# 124 LYS QD 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1905,1906,
/
#
# 124 LYS QB 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1899,1900,
/
#
# 127 ALA QB 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 124 LYS QD 124 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1905,1906,
/
#
# 124 LYS H 124 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1905,1906,
/
#
# 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=1902,1903,
igr2=1905,1906,
/
#
# 127 ALA QB 124 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=1942,1943,1944,
igr2=1902,1903,
/
#
# 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=1902,1903,
igr2=1908,1909,
/
#
# 124 LYS QG 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 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=1905,1906,
igr2=1908,1909,
/
#
# 124 LYS QG 125 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1917, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1902,1903,
/
#
# 124 LYS HA 125 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1897, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=1919,1920,
/
#
# 124 LYS QD 125 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1917, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1905,1906,
/
#
# 124 LYS QB 126 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1929, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1899,1900,
/
#
# 124 LYS QD 126 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1929, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1905,1906,
/
#
# 124 LYS QB 127 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1899,1900,
/
#
# 127 ALA QB 127 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 124 LYS QB 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1940, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1899,1900,
/
#
# 127 ALA QB 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1940, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 125 GLY H 125 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1919,1920,
/
#
# 125 GLY H 126 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1917,1926, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 125 GLY QA 127 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1919,1920,
/
#
# 126 ASN 1HD2 126 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1933,1934, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 126 ASN 1HD2 126 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1933,1934, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 126 ASN 2HB 126 ASN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1929,1926, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 126 ASN 1HB 126 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1928,1926, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 126 ASN 1HB 126 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1928,1929, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 126 ASN 1HB 126 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1928,1929, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 126 ASN 2HB 126 ASN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1929,1926, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 126 ASN 1HB 126 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1928,1926, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA QB 94 THR QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=1942,1943,1944,
igr2=1436,1437,1438,
/
#
# 127 ALA QB 94 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 94 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1940, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 124 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1897, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 95 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 95 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=1942,1943,1944,
igr2=1457,1458,1459,
/
#
# 127 ALA QB 95 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 123 THR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 123 THR HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 123 THR HB 124 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1899,1900,
/
#
# 127 ALA QB 125 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=1942,1943,1944,
igr2=1919,1920,
/
#
# 127 ALA H 126 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1938,1928, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA H 126 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1938,1926, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA QB 126 ASN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1942,1943,1944,
/
#
# 127 ALA H 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1938,1940, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA QB 127 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 95 LEU H 127 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1942,1943,1944,
/
#
# 127 ALA H 127 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1938,1940, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA H 128 SER QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1952,1953,
/
#
# 127 ALA H 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1938,1948, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 127 ALA HA 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1940,1948, 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= -1,1948, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA HA 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1940,1948, 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= -1,1948, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 127 ALA QB 124 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
/
#
# 128 SER H 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1948,1950, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 128 SER QB 128 SER H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 128 SER QB 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 128 SER QB 128 SER H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1952,1953,
/
#
# 128 SER QB 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 1 GLY QA 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 6, 7,
/
#
# 128 SER HA 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1950,1959, 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= -1,1959, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 128 SER QB 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 128 SER HA 129 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1969,1970,
/
#
# 128 SER QB 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1963, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 128 SER HA 129 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1950,1959, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 128 SER HA 129 ILE QG2 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=1965,1966,1967,
/
#
# 128 SER QB 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1959, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 128 SER QB 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1952,1953,
/
#
# 129 ILE H 3 PHE QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 37, 41,
/
#
# 129 ILE QD1 121 TYR 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1972,1973,1974,
/
#
# 129 ILE QD1 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1972,1973,1974,
/
#
# 2 VAL QG1 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 17, 18, 19,
/
#
# 129 ILE QD1 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1972,1973,1974,
/
#
# 2 VAL QG1 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 17, 18, 19,
/
#
# 129 ILE QD1 121 TYR 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1848, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1972,1973,1974,
/
#
# 129 ILE H 129 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1969,1970,
/
#
# 129 ILE QD1 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1959, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1972,1973,1974,
/
#
# 129 ILE H 129 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 129 ILE H 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959,1961, 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=1959,1961, 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=1959, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1965,1966,1967,
/
#
# 129 ILE QG1 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=1969,1970,
igr2=1965,1966,1967,
/
#
# 129 ILE HB 129 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1963, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1969,1970,
/
#
# 129 ILE H 129 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1969,1970,
/
#
# 129 ILE QD1 129 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=1972,1973,1974,
igr2=1969,1970,
/
#
# 129 ILE QD1 134 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=1972,1973,1974,
igr2=2047,2048,
/
#
# 129 ILE QD1 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1972,1973,1974,
/
#
# 129 ILE QG2 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE QD1 129 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1959, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1972,1973,1974,
/
#
# 129 ILE QD1 129 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=1972,1973,1974,
igr2=1969,1970,
/
#
# 129 ILE QG1 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1969,1970,
/
#
# 129 ILE HB 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=1965,1966,1967,
/
#
# 129 ILE QD1 129 ILE HB 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=1972,1973,1974,
/
#
# 129 ILE QG1 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=1969,1970,
igr2=1965,1966,1967,
/
#
# 129 ILE QG2 134 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=1965,1966,1967,
igr2=2047,2048,
/
#
# 129 ILE H 129 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959,1963, 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=1963,1961, 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= -1,1961, 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= -1,1961, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1972,1973,1974,
/
#
# 129 ILE H 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HB 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1963,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 123 THR QG2 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1978, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1887,1888,1889,
/
#
# 129 ILE QG2 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1978, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=1965,1966,1967,
/
#
# 129 ILE HA 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1961,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE H 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1959,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QG2 130 ASN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1965,1966,1967,
/
#
# 129 ILE QD1 130 ASN H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1978, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1972,1973,1974,
/
#
# 129 ILE HA 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1961,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HB 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1963,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QG2 130 ASN H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1978, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=1965,1966,1967,
/
#
# 129 ILE HB 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1963,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE HA 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1961,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 129 ILE QD1 134 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.37, r4= 9.87,
igr1=1972,1973,1974,
igr2=2050,2051,2052,
/
#
# 129 ILE HB 134 ILE QD1 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=2050,2051,2052,
/
#
# 129 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=1965,1966,1967,
igr2=2050,2051,2052,
/
#
# 129 ILE QD1 134 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=1972,1973,1974,
igr2=2047,2048,
/
#
# 129 ILE HA 134 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1961, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2047,2048,
/
#
# 129 ILE HA 134 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1961, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2047,2048,
/
#
# 129 ILE QG1 129 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1969,1970,
/
#
# 129 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=1965,1966,1967,
igr2=2050,2051,2052,
/
#
# 130 ASN 1HB 128 SER HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1950, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HB 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HD2 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1987,1988, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HD2 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1987,1988, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HD2 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1987,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HB 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,1987, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1987, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HD2 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1988,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HB 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,1988, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1988, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN H 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1978,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1987, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1982,1978, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 130 ASN 2HB 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,1987, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1983, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1983, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1988, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 130 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HB 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HB 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN HA 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1980,1992, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1992, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,1992, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,1992, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN HA 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1980,1992, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,2007, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN HA 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1980,2009, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HD2 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1987, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2014,2015,
/
#
# 130 ASN H 134 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1978, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2047,2048,
/
#
# 130 ASN 2HB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1982,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 1HB 134 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1982,2037, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 130 ASN H 134 ILE QG1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1978, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2047,2048,
/
#
# 131 GLU HA 130 ASN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1994,1980, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 131 GLU HA 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1994,1992, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU QG 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1992, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1999,2000,
/
#
# 131 GLU QG 131 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=1999,2000,
/
#
# 131 GLU QG 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1999,2000,
/
#
# 131 GLU HA 131 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1994,1992, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 131 GLU QG 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1992, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1999,2000,
/
#
# 131 GLU HA 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1994,2007, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU QG 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2009, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1999,2000,
/
#
# 131 GLU HA 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2014,2015,
/
#
# 131 GLU QG 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1999,2000,
/
#
# 131 GLU HA 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1994,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 131 GLU QG 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1999,2000,
/
#
# 131 GLU HA 135 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2069,2070,
/
#
# 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=1999,2000,
igr2=2069,2070,
/
#
# 131 GLU QG 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=1999,2000,
/
#
# 131 GLU 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=1999,2000,
igr2=2060,2061,
/
#
# 132 GLU H 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2007,1980, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU QB 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU QB 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1983, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 133 GLU QB 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1983, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 132 GLU QB 130 ASN 1HB 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=2011,2012,
/
#
# 132 GLU QB 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1987, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU QB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1992, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU H 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2007,1992, 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=2007,1992, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU QB 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU QB 131 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1992, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU QB 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU H 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2007,2009, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU H 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2007, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2014,2015,
/
#
# 132 GLU QB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 133 GLU QB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 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=2011,2012,
igr2=2014,2015,
/
#
# 132 GLU QB 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2009, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU HA 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2009, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2014,2015,
/
#
# 132 GLU H 132 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2007, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2014,2015,
/
#
# 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=2011,2012,
igr2=2014,2015,
/
#
# 132 GLU QB 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2009, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU QB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU H 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2007,2009, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU QB 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2024, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU QB 134 ILE H 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=2011,2012,
/
#
# 132 GLU H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2007,2056, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU H 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2007,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU QB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 132 GLU QB 136 ALA 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=2011,2012,
/
#
# 132 GLU H 135 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2007, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2060,2061,
/
#
# 132 GLU HA 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2009, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2069,2070,
/
#
# 132 GLU HA 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2009, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2066,2067,
/
#
# 132 GLU HA 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2009, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2060,2061,
/
#
# 132 GLU H 135 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2007, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2066,2067,
/
#
# 132 GLU QB 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2011,2012,
igr2=2082,2083,2084,
/
#
# 132 GLU HA 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2009, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2082,2083,2084,
/
#
# 133 GLU H 130 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,1987, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1978, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU QB 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1987, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 132 GLU QB 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1987, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 133 GLU QG 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1987, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2029,2030,
/
#
# 133 GLU QB 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 132 GLU QB 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 133 GLU QG 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2029,2030,
/
#
# 133 GLU HA 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2024,1983, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1983, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU HA 130 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2024,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU QG 130 ASN 1HB 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=2029,2030,
/
#
# 133 GLU QG 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1983, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2029,2030,
/
#
# 133 GLU QB 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1987, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU H 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,1983, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 130 ASN 2HB 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1983,1988, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QG 130 ASN 1HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1987, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2029,2030,
/
#
# 133 GLU QG 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2029,2030,
/
#
# 133 GLU H 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2029,2030,
/
#
# 133 GLU QG 130 ASN 1HB 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=2029,2030,
/
#
# 133 GLU QG 130 ASN 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1983, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2029,2030,
/
#
# 133 GLU HA 130 ASN 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2024,1982, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 130 ASN 1HB 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=2026,2027,
/
#
# 133 GLU H 131 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=1999,2000,
/
#
# 133 GLU H 133 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2029,2030,
/
#
# 133 GLU H 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,1994, 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= -1,1992, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU H 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2007, 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=2022,2007, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QG 132 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=2029,2030,
igr2=2011,2012,
/
#
# 133 GLU QG 133 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=2029,2030,
igr2=2026,2027,
/
#
# 133 GLU H 132 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2011,2012,
/
#
# 132 GLU QB 130 ASN 2HD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2011,2012,
/
#
# 133 GLU H 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2009, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU H 132 GLU QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2014,2015,
/
#
# 133 GLU H 133 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2026,2027,
/
#
# 133 GLU H 132 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2011,2012,
/
#
# 133 GLU H 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2024, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 57 THR HB 58 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 860, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QG 133 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=2029,2030,
igr2=2026,2027,
/
#
# 133 GLU QG 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2024, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2029,2030,
/
#
# 133 GLU QB 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2024, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU H 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2024, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QB 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2024, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU QG 133 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2024, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2029,2030,
/
#
# 133 GLU H 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2041, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU HA 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2024,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU QG 134 ILE H 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=2029,2030,
/
#
# 133 GLU QB 134 ILE H 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=2026,2027,
/
#
# 133 GLU QG 134 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2029,2030,
/
#
# 133 GLU QB 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU H 134 ILE HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2022,2041, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 133 GLU QB 134 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=2026,2027,
igr2=2047,2048,
/
#
# 133 GLU QB 134 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.76, r4= 9.26,
igr1=2026,2027,
igr2=2050,2051,2052,
/
#
# 133 GLU QB 134 ILE H 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=2026,2027,
/
#
# 133 GLU QB 134 ILE QG1 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=2026,2027,
igr2=2047,2048,
/
#
# 133 GLU H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2056, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2056, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU H 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2022, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2060,2061,
/
#
# 133 GLU QB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU QB 136 ALA 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=2026,2027,
/
#
# 133 GLU QB 136 ALA 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=2026,2027,
/
#
# 133 GLU QB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2026,2027,
/
#
# 133 GLU QG 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2029,2030,
igr2=2082,2083,2084,
/
#
# 133 GLU HA 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2024, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2082,2083,2084,
/
#
# 133 GLU HA 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2024, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2082,2083,2084,
/
#
# 133 GLU HA 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2024,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 133 GLU HA 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2024,2056, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 95 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=2043,2044,2045,
igr2=1457,1458,1459,
/
#
# 134 ILE QG2 95 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=2043,2044,2045,
igr2=1457,1458,1459,
/
#
# 134 ILE H 121 TYR 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,1847, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 121 TYR 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,1848, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 129 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=1965,1966,1967,
/
#
# 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=2043,2044,2045,
igr2=1965,1966,1967,
/
#
# 134 ILE H 130 ASN H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,1978, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG1 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2047,2048,
/
#
# 134 ILE HB 130 ASN 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041,1983, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2108,2109,
/
#
# 3 PHE 2HB 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 32,2041, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 130 ASN HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2041,1980, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 134 ILE QG1 130 ASN HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2047,2048,
/
#
# 134 ILE HB 131 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2041,1994, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 134 ILE HB 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041,1994, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 131 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE H 132 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2007, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2039, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 134 ILE QG1 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=2047,2048,
/
#
# 134 ILE QG2 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE H 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=2050,2051,2052,
/
#
# 134 ILE QG1 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2047,2048,
/
#
# 134 ILE HB 134 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2047,2048,
/
#
# 134 ILE HB 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041,2039, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2039, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=2043,2044,2045,
igr2=2050,2051,2052,
/
#
# 134 ILE H 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=2050,2051,2052,
/
#
# 134 ILE QG1 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=2047,2048,
igr2=2050,2051,2052,
/
#
# 134 ILE QD1 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2050,2051,2052,
/
#
# 134 ILE HB 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041,2037, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 134 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE QG2 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE HB 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2050,2051,2052,
/
#
# 134 ILE QG1 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=2047,2048,
igr2=2050,2051,2052,
/
#
# 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=2043,2044,2045,
igr2=2050,2051,2052,
/
#
# 134 ILE HB 134 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2050,2051,2052,
/
#
# 134 ILE QG2 134 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=2043,2044,2045,
igr2=2047,2048,
/
#
# 134 ILE QD1 134 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2050,2051,2052,
/
#
# 134 ILE QG2 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE H 134 ILE QG1 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=2047,2048,
/
#
# 134 ILE QG2 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE HB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041,2056, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE H 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2056, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE H 135 LYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2060,2061,
/
#
# 134 ILE QG2 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2043,2044,2045,
igr2=2063,2064,
/
#
# 134 ILE QG2 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE QG2 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE QG2 136 ALA 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=2043,2044,2045,
/
#
# 134 ILE H 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2078, 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=2037,2056, 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=2041,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HB 135 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2041,2056, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 136 ALA QB 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=2082,2083,2084,
/
#
# 134 ILE HA 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2039,2088, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE H 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2037,2095, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE HA 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2039,2095, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 134 ILE QG2 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 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=2043,2044,2045,
igr2=2105,2106,
/
#
# 134 ILE QG2 134 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2043,2044,2045,
/
#
# 134 ILE QD1 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2050,2051,2052,
igr2=2102,2103,
/
#
# 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=2043,2044,2045,
igr2=2108,2109,
/
#
# 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=2043,2044,2045,
/
#
# 134 ILE HA 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2108,2109,
/
#
# 134 ILE QG2 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2043,2044,2045,
igr2=2102,2103,
/
#
# 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=2043,2044,2045,
igr2=2105,2106,
/
#
# 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=2043,2044,2045,
igr2=2108,2109,
/
#
# 134 ILE QD1 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2050,2051,2052,
igr2=2102,2103,
/
#
# 135 LYS H 132 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056,2009, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 132 GLU HA 136 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2009,2078, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 134 ILE QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2047,2048,
/
#
# 135 LYS H 134 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2050,2051,2052,
/
#
# 135 LYS QB 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2060,2061,
/
#
# 135 LYS H 134 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2056,2039, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 135 LYS H 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2060,2061,
/
#
# 136 ALA H 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2060,2061,
/
#
# 135 LYS H 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2063,2064,
/
#
# 135 LYS H 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056,2058, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA H 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2058, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2069,2070,
/
#
# 135 LYS QB 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2060,2061,
/
#
# 135 LYS H 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2060,2061,
/
#
# 136 ALA H 135 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2060,2061,
/
#
# 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=2060,2061,
igr2=2069,2070,
/
#
# 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=2060,2061,
igr2=2108,2109,
/
#
# 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=2063,2064,
igr2=2066,2067,
/
#
# 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=2060,2061,
igr2=2069,2070,
/
#
# 135 LYS QB 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2060,2061,
/
#
# 135 LYS HA 135 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2069,2070,
/
#
# 135 LYS QE 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=2069,2070,
igr2=2066,2067,
/
#
# 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=2063,2064,
igr2=2069,2070,
/
#
# 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=2063,2064,
igr2=2066,2067,
/
#
# 135 LYS HA 135 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2066,2067,
/
#
# 135 LYS H 135 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2069,2070,
/
#
# 135 LYS H 135 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2066,2067,
/
#
# 136 ALA H 135 LYS QD 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=2066,2067,
/
#
# 135 LYS QG 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2063,2064,
/
#
# 135 LYS H 135 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2063,2064,
/
#
# 136 ALA H 135 LYS QG 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=2063,2064,
/
#
# 135 LYS QE 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=2069,2070,
igr2=2066,2067,
/
#
# 135 LYS QB 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2060,2061,
igr2=2082,2083,2084,
/
#
# 135 LYS H 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056,2088, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA H 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2088, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS QB 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2088, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2060,2061,
/
#
# 135 LYS QB 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2117, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2060,2061,
/
#
# 135 LYS QB 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2060,2061,
/
#
# 135 LYS QG 138 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2063,2064,
/
#
# 135 LYS HA 138 LYS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2058,2095, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 135 LYS HA 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2058,2117, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS HA 138 LYS QD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2105,2106,
/
#
# 135 LYS H 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2105,2106,
/
#
# 135 LYS HA 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2102,2103,
/
#
# 135 LYS HA 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2108,2109,
/
#
# 135 LYS HA 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2105,2106,
/
#
# 135 LYS HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 135 LYS HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 135 LYS H 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2102,2103,
/
#
# 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=2063,2064,
igr2=2108,2109,
/
#
# 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=2063,2064,
igr2=2069,2070,
/
#
# 135 LYS H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 138 LYS QB 141 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=2099,2100,
/
#
# 136 ALA H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 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=2060,2061,
igr2=2108,2109,
/
#
# 135 LYS QG 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=2063,2064,
igr2=2105,2106,
/
#
# 135 LYS QG 138 LYS 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=2063,2064,
igr2=2099,2100,
/
#
# 135 LYS H 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2108,2109,
/
#
# 136 ALA H 138 LYS QE 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=2108,2109,
/
#
# 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=2063,2064,
igr2=2108,2109,
/
#
# 135 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=2060,2061,
igr2=2102,2103,
/
#
# 136 ALA H 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2039, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 134 ILE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056,2039, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA QB 134 ILE HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2082,2083,2084,
/
#
# 136 ALA QB 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2082,2083,2084,
/
#
# 136 ALA H 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2058, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 135 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056,2058, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA H 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2082,2083,2084,
/
#
# 136 ALA H 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2080, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA QB 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2080, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2082,2083,2084,
/
#
# 136 ALA QB 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2080, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2082,2083,2084,
/
#
# 136 ALA H 136 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2080, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA H 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2082,2083,2084,
/
#
# 135 LYS H 136 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2082,2083,2084,
/
#
# 136 ALA H 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2088, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 135 LYS H 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2056,2088, 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= -1,2088, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2082,2083,2084,
/
#
# 136 ALA HA 137 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080,2088, 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= -1,2088, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2082,2083,2084,
/
#
# 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=2082,2083,2084,
igr2=2090,2091,
/
#
# 136 ALA QB 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2095, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2082,2083,2084,
/
#
# 136 ALA QB 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2082,2083,2084,
/
#
# 136 ALA QB 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2117, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2082,2083,2084,
/
#
# 136 ALA HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 138 LYS HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 136 ALA HA 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080,2117, 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=2117,2119, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA HA 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 139 GLU HA 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 139 GLU QB 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2121,2122,
/
#
# 136 ALA HA 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080,2117, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080,2132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA HA 138 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080,2095, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA HA 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2139,2140,
/
#
# 136 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=2082,2083,2084,
igr2=2136,2137,
/
#
# 137 GLY H 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2088, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2090,2091,
/
#
# 137 GLY QA 138 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=2090,2091,
igr2=2099,2100,
/
#
# 137 GLY QA 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2090,2091,
igr2=2136,2137,
/
#
# 137 GLY QA 138 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2090,2091,
/
#
# 136 ALA HA 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2090,2091,
/
#
# 137 GLY QA 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2090,2091,
igr2=2136,2137,
/
#
# 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=2090,2091,
igr2=2139,2140,
/
#
# 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=2082,2083,2084,
igr2=2090,2091,
/
#
# 137 GLY QA 141 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=2090,2091,
igr2=2158,2159,2160,
/
#
# 137 GLY QA 141 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=2090,2091,
/
#
# 136 ALA 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=2090,2091,
/
#
# 137 GLY QA 141 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=2090,2091,
igr2=2158,2159,2160,
/
#
# 137 GLY QA 141 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=2090,2091,
igr2=2158,2159,2160,
/
#
# 138 LYS QE 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=2108,2109,
igr2= 68, 73,
/
#
# 5 TYR 1HB 5 TYR 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= 68, 73,
/
#
# 138 LYS QE 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=2108,2109,
igr2=2066,2067,
/
#
# 138 LYS H 137 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2090,2091,
/
#
# 138 LYS H 137 GLY QA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2090,2091,
/
#
# 137 GLY QA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2090,2091,
/
#
# 137 GLY QA 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2117, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2090,2091,
/
#
# 138 LYS H 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095,2097, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 138 LYS H 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2105,2106,
/
#
# 138 LYS HA 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 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=2105,2106,
igr2=2108,2109,
/
#
# 138 LYS HA 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2105,2106,
/
#
# 138 LYS HA 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2102,2103,
/
#
# 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=2099,2100,
igr2=2105,2106,
/
#
# 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=2108,2109,
igr2=2102,2103,
/
#
# 5 TYR 1HB 138 LYS QG 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=2102,2103,
/
#
# 138 LYS H 138 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095,2097, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097,2132, 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=2097,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS HA 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097,2117, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=2099,2100,
igr2=2105,2106,
/
#
# 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=2108,2109,
igr2=2102,2103,
/
#
# 138 LYS H 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 139 GLU QB 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2121,2122,
/
#
# 139 GLU H 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 138 LYS QD 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2117, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2105,2106,
/
#
# 138 LYS H 138 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2105,2106,
/
#
# 138 LYS QB 139 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=2099,2100,
igr2=2121,2122,
/
#
# 138 LYS QB 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2119, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2099,2100,
/
#
# 138 LYS HA 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 138 LYS QB 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2119, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2099,2100,
/
#
# 138 LYS QB 139 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2117, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2099,2100,
/
#
# 138 LYS QB 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2164, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2099,2100,
/
#
# 138 LYS H 138 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2099,2100,
/
#
# 138 LYS QB 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2099,2100,
/
#
# 138 LYS QB 141 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=2099,2100,
/
#
# 141 ALA H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2136,2137,
/
#
# 138 LYS HA 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS QB 141 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=2099,2100,
igr2=2158,2159,2160,
/
#
# 140 LYS QB 141 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=2136,2137,
igr2=2158,2159,2160,
/
#
# 138 LYS QB 142 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2164, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2099,2100,
/
#
# 140 LYS H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2136,2137,
/
#
# 138 LYS HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2168,2169,2170,
/
#
# 138 LYS HA 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2102,2103,
/
#
# 138 LYS HA 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 138 LYS HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2168,2169,2170,
/
#
# 142 ALA QB 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 139 GLU H 138 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2108,2109,
/
#
# 139 GLU H 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2102,2103,
/
#
# 139 GLU H 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2102,2103,
/
#
# 138 LYS H 138 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2102,2103,
/
#
# 139 GLU H 139 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2124,2125,
/
#
# 139 GLU H 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 139 GLU H 139 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2124,2125,
/
#
# 139 GLU QG 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2124,2125,
/
#
# 139 GLU QG 139 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=2124,2125,
igr2=2121,2122,
/
#
# 139 GLU HA 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 139 GLU HA 139 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2124,2125,
/
#
# 139 GLU H 139 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117,2119, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119,2132, 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=2119,2164, 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=2119,2174, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU QG 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2124,2125,
/
#
# 139 GLU QB 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2121,2122,
/
#
# 139 GLU QB 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2121,2122,
igr2=2136,2137,
/
#
# 139 GLU HA 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2139,2140,
/
#
# 139 GLU HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2168,2169,2170,
/
#
# 139 GLU QG 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2124,2125,
/
#
# 139 GLU 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=2124,2125,
igr2=2142,2143,
/
#
# 139 GLU QB 140 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=2121,2122,
igr2=2145,2146,
/
#
# 139 GLU H 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2139,2140,
/
#
# 140 LYS H 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2139,2140,
/
#
# 139 GLU QG 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=2124,2125,
igr2=2139,2140,
/
#
# 139 GLU H 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU HA 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119,2154, 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=2119,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2080,2132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 140 LYS H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132,2134, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2134, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU HA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119,2132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 139 GLU HA 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2168,2169,2170,
/
#
# 142 ALA QB 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 139 GLU H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2168,2169,2170,
/
#
# 140 LYS H 142 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2168,2169,2170,
/
#
# 142 ALA 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=2168,2169,2170,
/
#
# 142 ALA QB 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 140 LYS H 140 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2139,2140,
/
#
# 142 ALA 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=2168,2169,2170,
/
#
# 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=2136,2137,
igr2=2142,2143,
/
#
# 140 LYS H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2136,2137,
/
#
# 140 LYS QB 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2136,2137,
/
#
# 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=2136,2137,
igr2=2145,2146,
/
#
# 140 LYS QG 140 LYS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2139,2140,
/
#
# 140 LYS QB 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2136,2137,
/
#
# 140 LYS H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132,2134, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2134, 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=2117,2134, 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=2134,2174, 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=2142,2143,
igr2=2145,2146,
/
#
# 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=2139,2140,
igr2=2145,2146,
/
#
# 140 LYS QG 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2139,2140,
igr2=2136,2137,
/
#
# 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=2142,2143,
igr2=2145,2146,
/
#
# 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=2139,2140,
igr2=2142,2143,
/
#
# 140 LYS H 140 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2142,2143,
/
#
# 140 LYS HA 140 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2134, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2142,2143,
/
#
# 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=2139,2140,
igr2=2142,2143,
/
#
# 140 LYS QG 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2139,2140,
igr2=2136,2137,
/
#
# 140 LYS QG 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2139,2140,
/
#
# 140 LYS HA 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2134, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 142 ALA QB 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2134, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 140 LYS QB 141 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2136,2137,
/
#
# 140 LYS QB 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2136,2137,
/
#
# 140 LYS HA 143 GLY QA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2134, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2176,2177,
/
#
# 140 LYS HA 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2134,2181, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA H 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 141 ALA H 139 GLU QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2121,2122,
/
#
# 141 ALA H 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 136 ALA H 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2078,2132, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA H 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2132, 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=2154,2164, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 138 LYS H 141 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095,2154, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA H 140 LYS QG 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=2139,2140,
/
#
# 141 ALA H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2134, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA H 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2136,2137,
/
#
# 141 ALA H 141 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 H 140 LYS QG 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=2139,2140,
/
#
# 141 ALA H 141 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, /
#
# 141 ALA H 140 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2134, 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=2154,2156, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA HA 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2200, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA QB 141 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 H 141 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 QB 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2158,2159,2160,
/
#
# 142 ALA QB 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 141 ALA QB 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2158,2159,2160,
/
#
# 138 LYS HA 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2097, -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=2156,2174, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA H 141 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, /
#
# 141 ALA QB 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2181, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2158,2159,2160,
/
#
# 144 LEU H 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2181, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2246,2247,2248,
/
#
# 158 ALA QB 158 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 141 ALA HA 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2181, 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=2156,2185, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA QB 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2158,2159,2160,
/
#
# 141 ALA QB 144 LEU 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2158,2159,2160,
/
#
# 144 LEU 2HB 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2246,2247,2248,
/
#
# 141 ALA HA 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2156,2186, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA H 141 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,
/
#
# 138 LYS H 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2095, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 140 LYS H 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2158,2159,2160,
/
#
# 139 GLU H 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2117, -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= -1,2174, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2158,2159,2160,
/
#
# 142 ALA QB 141 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=2168,2169,2170,
/
#
# 141 ALA QB 141 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,
/
#
# 142 ALA H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2166, 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=2174,2166, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA 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=2176,2177,
/
#
# 137 GLY QA 140 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2132, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2090,2091,
/
#
# 142 ALA QB 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 142 ALA 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=2176,2177,
/
#
# 143 GLY QA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2176,2177,
/
#
# 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=2168,2169,2170,
igr2=2176,2177,
/
#
# 142 ALA QB 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 142 ALA H 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164,2181, 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=2174,2181, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA H 145 PHE QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2164, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2204,2205,
/
#
# 142 ALA QB 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2200, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 142 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=2168,2169,2170,
igr2=2208,2216,
/
#
# 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=2168,2169,2170,
igr2=2204,2205,
/
#
# 142 ALA QB 146 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=2168,2169,2170,
igr2=2233,2234,
/
#
# 142 ALA QB 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2200, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2168,2169,2170,
/
#
# 141 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=2168,2169,2170,
/
#
# 142 ALA HA 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2166,2202, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=2168,2169,2170,
igr2=2204,2205,
/
#
# 142 ALA HA 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2166,2220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 142 ALA HA 146 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2233,2234,
/
#
# 142 ALA QB 146 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=2168,2169,2170,
igr2=2233,2234,
/
#
# 142 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=2168,2169,2170,
igr2=2224,2225,
/
#
# 138 LYS 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=2099,2100,
igr2=2168,2169,2170,
/
#
# 143 GLY QA 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=2176,2177,
igr2=2142,2143,
/
#
# 143 GLY QA 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2176,2177,
/
#
# 143 GLY QA 143 GLY H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2176,2177,
/
#
# 143 GLY H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2174,2183, 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=2174,2185, 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=2174,2200, 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=2174,2181, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY QA 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2200, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2176,2177,
/
#
# 143 GLY QA 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2181, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2176,2177,
/
#
# 143 GLY QA 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2176,2177,
/
#
# 146 LYS H 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2220,2222, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 143 GLY QA 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=2176,2177,
igr2=2233,2234,
/
#
# 146 LYS HA 146 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2233,2234,
/
#
# 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=2176,2177,
igr2=2227,2228,
/
#
# 146 LYS QG 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2227,2228,
/
#
# 143 GLY H 146 LYS QE 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2233,2234,
/
#
# 143 GLY QA 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2176,2177,
igr2=2224,2225,
/
#
# 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=2176,2177,
igr2=2230,2231,
/
#
# 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=2168,2169,2170,
igr2=2176,2177,
/
#
# 143 GLY QA 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2176,2177,
igr2=2224,2225,
/
#
# 146 LYS QB 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2224,2225,
/
#
# 144 LEU QQD 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187, 506, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 24 LEU QQD 20 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 296, 297,
/
#
# 144 LEU QD1 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=2190,2191,2192,
igr2= 522, 523, 524,
/
#
# 144 LEU QD2 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=2194,2195,2196,
igr2= 522, 523, 524,
/
#
# 144 LEU QD2 36 GLN 1HE2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2194,2195,2196,
/
#
# 144 LEU QQD 37 HIS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2= 563, 564,
/
#
# 144 LEU QQD 140 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2136,2137,
/
#
# 144 LEU QQD 141 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=2158,2159,2160,
/
#
# 144 LEU QD2 141 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=2194,2195,2196,
/
#
# 144 LEU QD2 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2183, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2194,2195,2196,
/
#
# 144 LEU 1HB 142 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2185,2166, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 144 LEU H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2181,2183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA H 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2316, 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=2181,2185, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 146 LYS QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2181, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2227,2228,
/
#
# 144 LEU QQD 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187,2181, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QG2 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2181, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 512, 513, 514,
/
#
# 144 LEU HA 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2186, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL QQG 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2188, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2181,2183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 1HB 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2185,2186, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 1HB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2185,2188, 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=2187,2183, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QG1 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2183, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1= 508, 509, 510,
/
#
# 144 LEU QD2 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2194,2195,2196,
/
#
# 144 LEU 1HB 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2185,2186, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2185, 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=2181,2185, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2185, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU QD1 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2190,2191,2192,
/
#
# 144 LEU QD1 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2190,2191,2192,
/
#
# 144 LEU QD2 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2194,2195,2196,
/
#
# 144 LEU QD1 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2190,2191,2192,
/
#
# 144 LEU QD1 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2183, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2190,2191,2192,
/
#
# 144 LEU HA 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2186, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU QD2 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2181, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2194,2195,2196,
/
#
# 144 LEU QD2 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2200, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2194,2195,2196,
/
#
# 144 LEU QD1 145 PHE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2200, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2190,2191,2192,
/
#
# 144 LEU QD1 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2181, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2190,2191,2192,
/
#
# 144 LEU 1HB 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2185,2202, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU 1HB 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2185, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2246,2247,2248,
/
#
# 144 LEU QQD 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187,2244, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 33 VAL QQG 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2244, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 144 LEU QQD 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=2246,2247,2248,
/
#
# 33 VAL QQG 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=2246,2247,2248,
/
#
# 144 LEU H 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2181, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2246,2247,2248,
/
#
# 147 ALA QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 144 LEU HA 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2246,2247,2248,
/
#
# 144 LEU HA 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2246,2247,2248,
/
#
# 144 LEU HG 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2188,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 33 VAL HB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 506,2188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2252, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU HA 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU QD1 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2190,2191,2192,
/
#
# 144 LEU QD1 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2190,2191,2192,
/
#
# 144 LEU HA 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2183,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 49 GLY QA 50 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 724, 725,
/
#
# 145 PHE QB 141 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=2204,2205,
igr2=2158,2159,2160,
/
#
# 145 PHE H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2166, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2166, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2181,2166, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 141 ALA H 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2154,2166, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 142 ALA HA 146 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2233,2234,
/
#
# 145 PHE QB 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2181, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 158 ALA H 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2183, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2185, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2186, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2188, 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=2181,2188, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2186, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 144 LEU H 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2181,2186, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2202, 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= -1,2200, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE H 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2208,2216,
/
#
# 145 PHE H 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2202, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE HA 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2202,2242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE QB 145 PHE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2200, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 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=2204,2205,
igr2=2208,2216,
/
#
# 145 PHE HA 145 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2202, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2208,2216,
/
#
# 145 PHE QB 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE QB 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE QD 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2208,2216,
/
#
# 145 PHE H 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2220,2242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 146 LYS 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=2204,2205,
igr2=2224,2225,
/
#
# 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=2224,2225,
igr2=2233,2234,
/
#
# 145 PHE H 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2224,2225,
/
#
# 145 PHE QB 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 146 LYS HA 146 LYS QE 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2233,2234,
/
#
# 145 PHE QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE H 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2252, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE H 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2220, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE HA 148 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2202,2254, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 145 PHE H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2200,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE HA 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2202,2252, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE HA 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2202,2220, 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=2202,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE QB 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE HA 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2202,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 145 PHE QB 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2204,2205,
/
#
# 145 PHE HA 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2202,2268, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS QG 142 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2227,2228,
/
#
# 146 LYS H 146 LYS QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2230,2231,
/
#
# 146 LYS H 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2220,2222, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252,2222, 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=2224,2225,
igr2=2230,2231,
/
#
# 146 LYS QG 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2227,2228,
igr2=2224,2225,
/
#
# 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=2224,2225,
igr2=2230,2231,
/
#
# 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=2227,2228,
igr2=2233,2234,
/
#
# 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=2224,2225,
igr2=2233,2234,
/
#
# 146 LYS QG 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2227,2228,
/
#
# 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=2230,2231,
igr2=2233,2234,
/
#
# 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=2230,2231,
igr2=2233,2234,
/
#
# 146 LYS QG 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2227,2228,
/
#
# 146 LYS QG 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2227,2228,
/
#
# 146 LYS HA 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222,2242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS HA 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS HA 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2224,2225,
/
#
# 146 LYS QG 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2227,2228,
/
#
# 146 LYS HA 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222,2268, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS HA 149 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2222,2270, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 146 LYS QG 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2227,2228,
/
#
# 146 LYS QB 150 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=2224,2225,
igr2=2287,2288,2289,
/
#
# 146 LYS HA 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 146 LYS QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2224,2225,
/
#
# 148 VAL H 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2224,2225,
/
#
# 146 LYS H 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2224,2225,
/
#
# 147 ALA QB 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 144 LEU 2HB 147 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2246,2247,2248,
/
#
# 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=2246,2247,2248,
igr2=2224,2225,
/
#
# 147 ALA QB 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 143 GLY QA 147 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=2176,2177,
igr2=2246,2247,2248,
/
#
# 147 ALA QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 147 ALA H 147 ALA 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, /
#
# 147 ALA QB 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2244, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 147 ALA QB 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2244, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 147 ALA H 147 ALA 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, /
#
# 147 ALA H 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2254, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA QB 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 147 ALA H 148 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2242,2254, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 147 ALA QB 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 147 ALA QB 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2246,2247,2248,
/
#
# 147 ALA HA 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA QB 148 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2246,2247,2248,
/
#
# 147 ALA H 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2242,2268, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA HA 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2268, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA HA 150 ALA 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, /
#
# 147 ALA HA 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 147 ALA HA 150 ALA 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 H 147 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252,2244, 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=2244, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 147 ALA HA 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 150 ALA QB 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2295, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2287,2288,2289,
/
#
# 147 ALA HA 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2244,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 147 ALA QB 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2246,2247,2248,
igr2=2297,2298,
/
#
# 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=2258,2259,2260,
igr2= 333, 341,
/
#
# 148 VAL QG2 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=2262,2263,2264,
igr2= 333, 341,
/
#
# 148 VAL HB 22 PHE QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2256, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 333, 341,
/
#
# 148 VAL QG2 29 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 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=2258,2259,2260,
/
#
# 148 VAL QG1 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 30 ILE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 22 PHE H 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2258,2259,2260,
/
#
# 148 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=2262,2263,2264,
/
#
# 148 VAL QG2 33 VAL QQG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 144 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2187, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2262,2263,2264,
/
#
# 148 VAL QG1 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=2258,2259,2260,
igr2= 508, 509, 510,
/
#
# 148 VAL QG2 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=2262,2263,2264,
igr2= 508, 509, 510,
/
#
# 148 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=2262,2263,2264,
/
#
# 148 VAL QG1 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 152 LEU 2HB 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2258,2259,2260,
/
#
# 148 VAL QG1 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG2 144 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2181, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 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=2262,2263,2264,
igr2=2194,2195,2196,
/
#
# 148 VAL QG1 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG2 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 144 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG1 144 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 144 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG2 144 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=2262,2263,2264,
igr2=2190,2191,2192,
/
#
# 148 VAL QG2 145 PHE H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2200, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG1 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 22 PHE HA 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2258,2259,2260,
/
#
# 148 VAL QG1 145 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=2258,2259,2260,
igr2=2204,2205,
/
#
# 22 PHE QB 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 329, 330,
igr2=2258,2259,2260,
/
#
# 148 VAL QG2 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 22 PHE HA 148 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2262,2263,2264,
/
#
# 148 VAL QG2 145 PHE HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL H 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252,2222, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG2 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL H 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252,2242, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2220,2242, 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=2252,2242, 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=2252,2244, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG2 147 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=2262,2263,2264,
igr2=2246,2247,2248,
/
#
# 18 LEU HG 148 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2262,2263,2264,
/
#
# 148 VAL QG2 147 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 9.37, r4= 9.87,
igr1=2262,2263,2264,
igr2=2246,2247,2248,
/
#
# 148 VAL H 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252,2254, 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=2252,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG2 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG1 148 VAL H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 150 ALA 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=2258,2259,2260,
/
#
# 148 VAL QG1 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=2258,2259,2260,
igr2=2262,2263,2264,
/
#
# 148 VAL H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 146 LYS H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2220,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 148 VAL HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2252,2254, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 148 VAL HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2254,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG2 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 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=2262,2263,2264,
/
#
# 148 VAL QG1 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=2258,2259,2260,
igr2=2262,2263,2264,
/
#
# 18 LEU QQD 148 VAL 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=2262,2263,2264,
/
#
# 148 VAL QG2 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2321, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL HA 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2254,2321, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG1 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 152 LEU H 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2321, 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=2252,2268, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HA 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2254,2268, 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=2254,2314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2256,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2270, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2275,2276,
/
#
# 149 GLU QB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 152 LEU 2HB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL H 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2270,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2256,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HA 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2254,2256, 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=2254,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2270,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG2 150 ALA 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=2262,2263,2264,
/
#
# 148 VAL QG2 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL H 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2252, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 150 ALA QB 150 ALA 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=2287,2288,2289,
/
#
# 148 VAL HA 150 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2254, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2287,2288,2289,
/
#
# 148 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=2262,2263,2264,
igr2=2297,2298,
/
#
# 148 VAL H 151 TYR QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2252, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2297,2298,
/
#
# 151 TYR QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2297,2298,
/
#
# 148 VAL HA 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2254, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2297,2298,
/
#
# 148 VAL HA 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2254, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2297,2298,
/
#
# 148 VAL HB 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2256, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2297,2298,
/
#
# 148 VAL QG1 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1=2258,2259,2260,
igr2=2297,2298,
/
#
# 148 VAL QG1 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2314, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG1 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2321, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2258,2259,2260,
/
#
# 148 VAL QG2 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2314, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL HB 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2256,2321, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2321, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL QG2 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 22 PHE H 148 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2262,2263,2264,
/
#
# 148 VAL QG2 30 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 149 GLU QB 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 146 LYS H 146 LYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2224,2225,
/
#
# 149 GLU QB 146 LYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU QB 148 VAL H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU QB 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU QB 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 146 LYS QB 146 LYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2224,2225,
/
#
# 146 LYS HA 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2275,2276,
/
#
# 149 GLU QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 146 LYS QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2224,2225,
/
#
# 149 GLU QB 147 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2268,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU QB 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU QB 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU QB 148 VAL HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2254, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU QB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU H 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2268,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HA 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2254,2268, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU QB 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU QB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2314, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 149 GLU HA 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2270, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2275,2276,
/
#
# 149 GLU H 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2268, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 149 GLU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2268,2283, 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=2252,2268, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 150 ALA H 149 GLU QG 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=2275,2276,
/
#
# 149 GLU HA 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2270,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316,2270, 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=2268, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 152 LEU H 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 149 GLU H 150 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2268,2285, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 152 LEU H 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU QB 150 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=2272,2273,
igr2=2287,2288,2289,
/
#
# 149 GLU QB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2272,2273,
/
#
# 150 ALA HA 149 GLU QG 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=2275,2276,
/
#
# 149 GLU H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2268,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 152 LEU HG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2268,2321, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 149 GLU HA 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2270,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU HA 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2270,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 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=2287,2288,2289,
igr2=2275,2276,
/
#
# 150 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=2287,2288,2289,
igr2=2275,2276,
/
#
# 149 GLU QB 150 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=2272,2273,
igr2=2287,2288,2289,
/
#
# 150 ALA HA 149 GLU QG 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=2275,2276,
/
#
# 150 ALA H 149 GLU QG 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=2275,2276,
/
#
# 150 ALA QB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2287,2288,2289,
/
#
# 150 ALA QB 150 ALA 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=2287,2288,2289,
/
#
# 150 ALA HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 150 ALA 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=2287,2288,2289,
/
#
# 150 ALA QB 150 ALA 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=2287,2288,2289,
/
#
# 150 ALA HA 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2293, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2287,2288,2289,
/
#
# 150 ALA QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2293, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2287,2288,2289,
/
#
# 150 ALA HA 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA HA 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2340, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA HA 153 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2285,2333, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 150 ALA QB 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2287,2288,2289,
igr2=2356,2357,2358,
/
#
# 150 ALA QB 154 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2352, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2287,2288,2289,
/
#
# 150 ALA HA 154 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2285,2352, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 151 TYR QB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2297,2298,
/
#
# 151 TYR H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2293,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2293,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2293, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2297,2298,
/
#
# 151 TYR H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2293,2295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR QD 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2293, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2301,2310,
/
#
# 151 TYR QB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2293, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2297,2298,
/
#
# 151 TYR QB 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2295, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2297,2298,
/
#
# 151 TYR QB 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2297,2298,
igr2=2301,2310,
/
#
# 151 TYR QB 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2295, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2297,2298,
/
#
# 151 TYR H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2293,2295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR QD 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2295, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2301,2310,
/
#
# 151 TYR H 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2293,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 151 TYR QB 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2297,2298,
/
#
# 151 TYR HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2295, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 151 TYR HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2295, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 152 LEU 1HB 13 ILE H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318, 172, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, -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,
/
#
# 152 LEU 1HB 13 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
/
#
# 153 LEU 2HB 13 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
/
#
# 152 LEU 1HB 13 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 178, 179, 180,
/
#
# 152 LEU 2HB 18 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 262, 263, 264,
/
#
# 18 LEU QD1 104 MET QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.09, r4= 8.59,
igr1= 262, 263, 264,
igr2=1611,1612,
/
#
# 152 LEU H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 149 GLU H 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2268,2256, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2258,2259,2260,
/
#
# 152 LEU 1HB 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 1HB 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2321, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 148 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2262,2263,2264,
/
#
# 148 VAL QG2 148 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 148 VAL QG2 33 VAL HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2262,2263,2264,
/
#
# 152 LEU 1HB 149 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2318,2270, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 152 LEU 2HB 149 GLU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2319,2268, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 152 LEU 2HB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2270, 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=2268,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU QQD 149 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2320,2270, r1= 1.35, r2= 1.85, r3= 8.70, r4= 9.20, /
#
# 152 LEU H 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2275,2276,
/
#
# 149 GLU H 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2268, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2275,2276,
/
#
# 152 LEU QQD 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2268, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU QQD 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2314, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 1HB 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2283, 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=2268,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2297,2298,
/
#
# 152 LEU H 151 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2301,2310,
/
#
# 152 LEU H 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 148 VAL HB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2256,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 150 ALA HA 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2285,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 151 TYR QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2297,2298,
/
#
# 152 LEU HA 156 PRO 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316,2380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HG 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2321, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2297,2298,
/
#
# 152 LEU H 151 TYR QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2314, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2297,2298,
/
#
# 152 LEU HA 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316,2314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU H 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2314,2285, 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=2318,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 1HB 12 VAL QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
/
#
# 152 LEU QQD 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2316, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 1HB 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 2HB 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2316, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 149 GLU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2268, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 152 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2316,2314, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 152 LEU HA 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316,2321, 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=2318,2319, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2338, 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=2318,2319, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HB 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176,2318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2321, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 18 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, 259, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 2HB 148 VAL QG1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2258,2259,2260,
/
#
# 152 LEU 1HB 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2316, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2316, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 2HB 152 LEU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2319,2316, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 152 LEU QQD 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2316, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 27 ASP HA 41 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 625, 626, 627,
/
#
# 152 LEU 1HB 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2321, 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=2314,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2333, 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=2314,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2338, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 1HB 153 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2337, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 153 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2319,2333, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 152 LEU 1HB 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2335, 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=2314,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2386, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU QQD 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2362, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU HA 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316,2362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 155 HIS 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2316,2367, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 152 LEU HA 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316,2366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU QQD 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2367, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU 1HB 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2318,2366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU 2HB 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319,2366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 152 LEU HA 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 152 LEU 2HB 158 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2409,2410,2411,
/
#
# 152 LEU QQD 158 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320,2407, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 152 LEU QQD 159 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2320, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2419,2420,
/
#
# 153 LEU 1HB 13 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2= 185, 186, 187,
/
#
# 153 LEU H 13 ILE QD1 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2333, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2= 185, 186, 187,
/
#
# 153 LEU 1HB 149 GLU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2270, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QQD 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.35, r2= 1.85, r3= 8.93, r4= 9.43,
igr2=2275,2276,
/
#
# 153 LEU H 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2333, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2275,2276,
/
#
# 153 LEU QD1 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=2342,2343,2344,
igr2=2275,2276,
/
#
# 153 LEU 2HB 149 GLU HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2338,2270, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 153 LEU 1HB 149 GLU QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2275,2276,
/
#
# 153 LEU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2333,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 150 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2333,2283, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 150 ALA QB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2340, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2287,2288,2289,
/
#
# 153 LEU 1HB 150 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2337,2283, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 153 LEU QD2 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2285, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 153 LEU QQD 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2339,2285, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU QQD 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr2=2287,2288,2289,
/
#
# 153 LEU 2HB 150 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2285, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 153 LEU 2HB 150 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2287,2288,2289,
/
#
# 153 LEU QD1 150 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=2342,2343,2344,
igr2=2287,2288,2289,
/
#
# 153 LEU 2HB 150 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2338,2283, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 153 LEU 1HB 151 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2293, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2333,2295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 152 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2338,2314, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 153 LEU 1HB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QQD 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2339,2333, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU 2HB 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2333, 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=2333,2335, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QD2 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2335, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 153 LEU QD2 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2354, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 153 LEU HA 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2335,2340, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU HG 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2340,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QD2 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 153 LEU H 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2333,2340, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2335, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 153 LEU H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2337,2333, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 153 LEU 1HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2339, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU 2HB 153 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2339, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU 1HB 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2338, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 153 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 153 LEU 1HB 153 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2338, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2340, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 153 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2342,2343,2344,
/
#
# 153 LEU QQD 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2339,2335, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU 2HB 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2335, 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=2333,2335, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2340, 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=2335,2340, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2335, 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= -1,2340, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2346,2347,2348,
/
#
# 153 LEU 1HB 153 LEU QD2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2346,2347,2348,
/
#
# 153 LEU QD1 153 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2340, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2342,2343,2344,
/
#
# 153 LEU 1HB 153 LEU QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2342,2343,2344,
/
#
# 153 LEU QD1 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2342,2343,2344,
/
#
# 153 LEU 1HB 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2352, 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=2352,2340, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QQD 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2339,2352, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU QD1 154 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2352, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr1=2342,2343,2344,
/
#
# 153 LEU HG 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2340, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 153 LEU HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 154 ALA QB 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2354, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2356,2357,2358,
/
#
# 153 LEU QD1 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2354, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2342,2343,2344,
/
#
# 153 LEU QD1 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2335, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2342,2343,2344,
/
#
# 153 LEU QQD 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2339,2354, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU 2HB 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 153 LEU HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 153 LEU 2HB 154 ALA H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2338,2352, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 153 LEU 2HB 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 2HB 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2338,2335, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU 1HB 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QD1 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 8.65, r4= 9.15,
igr1=2342,2343,2344,
igr2=2356,2357,2358,
/
#
# 153 LEU 1HB 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2337,2362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 153 LEU QQD 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2339,2362, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 153 LEU HA 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 153 LEU HA 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 153 LEU HG 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2340, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 153 LEU HA 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2335,2386, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 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=2346,2347,2348,
igr2=2383,2384,
/
#
# 154 ALA H 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2335, 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=2352,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA H 153 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2352,2335, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 154 ALA 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=2356,2357,2358,
/
#
# 154 ALA 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=2356,2357,2358,
/
#
# 154 ALA QB 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2354, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2356,2357,2358,
/
#
# 154 ALA H 154 ALA 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 151 TYR HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362,2295, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 151 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2297,2298,
/
#
# 156 PRO 1HD 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380,2362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 1HB 152 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2366,2314, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 153 LEU H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362,2333, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362,2354, 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=2362,2335, 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=2362, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 155 HIS H 154 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362,2352, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS HA 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 155 HIS H 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS HA 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364,2362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 1HB 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2366,2362, 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=2362,2375, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS HA 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364,2366, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS HA 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364,2367, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 1HB 155 HIS H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2366,2362, 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=2366,2367, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS 2HB 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2367,2362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2362, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 155 HIS HA 156 PRO 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364,2380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS H 156 PRO QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2362, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2383,2384,
/
#
# 155 HIS HA 156 PRO 2HD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2364,2380, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 155 HIS HA 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS HA 156 PRO 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2364,2386, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 155 HIS HA 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 155 HIS HA 156 PRO 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364,2380, 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=2364,2393, 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=2366,2393, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 155 HIS HA 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2364, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2397,2398,
/
#
# 155 HIS 1HB 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2397,2398,
/
#
# 155 HIS 1HB 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2366,2367, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 13 ILE HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389, 176, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 152 LEU 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2319, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2386, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 17 ARG QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 239, 240,
/
#
# 156 PRO HA 156 PRO 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HB 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2387, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 156 PRO 1HB 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2= 233, 234,
/
#
# 156 PRO HA 152 LEU 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2318, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 156 PRO 2HD 154 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380,2354, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HD 154 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2380,2354, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO 1HD 154 ALA QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2380, -1, r1= 1.35, r2= 1.85, r3= 7.81, r4= 8.31,
igr2=2356,2357,2358,
/
#
# 156 PRO 2HD 154 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2356,2357,2358,
/
#
# 156 PRO 1HD 154 ALA HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2380,2354, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO 2HD 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380,2362, 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=2380,2367, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO HA 155 HIS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2389,2364, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 156 PRO 2HD 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380,2367, 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=2380, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO 2HB 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2387, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO 1HB 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO 1HD 156 PRO 2HD 1.85 6.00
#This appears to be self-referential: ignoring
#
# 156 PRO HA 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 156 PRO 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2380,2387, 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=2380, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 17 ARG QD 156 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= 239, 240,
igr2=2383,2384,
/
#
# 156 PRO 1HB 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2386,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HB 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 176,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO 1HD 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HD 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380,2386, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2386, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 13 ILE HA 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174,2386, 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=2380,2387, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 17 ARG QD 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2387, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1= 239, 240,
/
#
# 156 PRO 1HB 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2386,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HB 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2387, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO 1HD 156 PRO 2HD 1.85 6.00
#This appears to be self-referential: ignoring
#
# 156 PRO 1HB 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO HA 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO HA 156 PRO 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380,2386, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 2HD 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO HA 156 PRO 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO HA 156 PRO QG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 156 PRO HA 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2389,2393, 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=2380,2393, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 156 PRO 1HD 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2380, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2397,2398,
/
#
# 156 PRO HA 157 ASP QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2389, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2397,2398,
/
#
# 156 PRO 1HD 157 ASP H 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2380,2393, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 157 ASP QB 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2362, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2397,2398,
/
#
# 155 HIS 2HB 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2367,2362, 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=2393,2387, 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=2393, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2383,2384,
/
#
# 157 ASP QB 156 PRO 1HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2386, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr1=2397,2398,
/
#
# 157 ASP HA 156 PRO 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2387, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP H 156 PRO 2HB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2393,2387, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 157 ASP H 156 PRO QG 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2393, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2383,2384,
/
#
# 157 ASP HA 156 PRO 1HD 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2395,2380, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 157 ASP HA 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2393, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 157 ASP QB 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2397,2398,
/
#
# 157 ASP QB 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2397,2398,
/
#
# 157 ASP HA 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2397,2398,
/
#
# 157 ASP HA 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2397,2398,
/
#
# 157 ASP HA 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2440,2441,
/
#
# 157 ASP H 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2393, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2440,2441,
/
#
# 157 ASP QB 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2436, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2397,2398,
/
#
# 157 ASP HA 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2395,2436, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA H 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2316, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA QB 152 LEU HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2316, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 152 LEU HG 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2321, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.35, r2= 1.85, r3= 9.41, r4= 9.91,
igr1=2409,2410,2411,
/
#
# 158 ALA H 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2364, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA H 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2362, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA QB 155 HIS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2362, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2367, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 155 HIS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2364, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA H 155 HIS HA 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2405,2364, r1= 1.35, r2= 1.85, r3= 6.50, r4= 7.00, /
#
# 158 ALA QB 155 HIS 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA H 156 PRO 1HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA H 156 PRO 2HD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2380, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA H 156 PRO 1HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2386, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA H 157 ASP HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2395, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA H 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2397,2398,
/
#
# 158 ALA H 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2393, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA HA 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2407,2393, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA QB 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA H 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405,2393, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA QB 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=2409,2410,2411,
igr2=2397,2398,
/
#
# 158 ALA QB 155 HIS 2HB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2367, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA H 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2405, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2397,2398,
/
#
# 158 ALA QB 157 ASP H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA HA 158 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2407,2405, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 158 ALA QB 158 ALA H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 158 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2407, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 158 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2407, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA QB 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2436, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr1=2409,2410,2411,
/
#
# 158 ALA HA 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2407,2436, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 152 LEU QQD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2415,2320, r1= 1.35, r2= 1.85, r3= 8.20, r4= 8.70, /
#
# 68 LYS H 85 ILE QD1 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1319,1320,1321,
/
#
# 68 LYS H 85 ILE QG2 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=1312,1313,1314,
/
#
# 159 TYR H 157 ASP QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2415, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2397,2398,
/
#
# 159 TYR H 158 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2415,2407, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 158 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2415, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2409,2410,2411,
/
#
# 159 TYR HA 158 ALA QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.35, r2= 1.85, r3= 7.21, r4= 7.71,
igr2=2409,2410,2411,
/
#
# 159 TYR HA 159 TYR H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2417,2415, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 158 ALA HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2415,2407, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR H 159 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2415, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2423,2432,
/
#
# 159 TYR 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=2419,2420,
igr2=2423,2432,
/
#
# 159 TYR HA 159 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2419,2420,
/
#
# 159 TYR HA 159 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2419,2420,
/
#
# 159 TYR HA 160 CYS H 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2417,2436, 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=2415,2436, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 159 TYR HA 160 CYS QB 1.85 6.50
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.35, r2= 1.85, r3= 7.30, r4= 7.80,
igr2=2440,2441,
/
#
# 159 TYR H 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2415, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2440,2441,
/
#
# 160 CYS QB 17 ARG QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.35, r2= 1.85, r3= 7.56, r4= 8.06,
igr1=2440,2441,
igr2= 233, 234,
/
#
# 160 CYS H 159 TYR QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2436, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2419,2420,
/
#
# 160 CYS H 159 TYR QD 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2436, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2423,2432,
/
#
# 160 CYS H 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2436, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2440,2441,
/
#
# 160 CYS H 160 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2436,2438, r1= 1.35, r2= 1.85, r3= 6.00, r4= 6.50, /
#
# 160 CYS QB 160 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2438, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2440,2441,
/
#
# 160 CYS QB 160 CYS HA 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2438, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr1=2440,2441,
/
#
# 160 CYS H 160 CYS QB 1.85 6.00
&rst
ixpk= 0, nxpk= 0, iat=2436, -1, r1= 1.35, r2= 1.85, r3= 6.73, r4= 7.23,
igr2=2440,2441,
/
#
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