NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
490400 |
2l4k   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
###
# NOE-based distance restraints
###
#
# 4 ALA HN 4 ALA HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 36, 38, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
rk2=0.0, rk3=60.0, ir6=1, ialtd=0,
&end
#
# 4 ALA HN 4 ALA QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 40, 41, 42,
&end
#
# 6 GLY HA2 7 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 59, 64, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 7 THR HN 7 THR HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 64, 66, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 8 SER HN 8 SER HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 78, 80, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 8 SER HN 8 SER QB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 82, 83,
&end
#
# 8 SER HA 9 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 80, 89, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 9 LEU HN 9 LEU HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 89, 91, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 9 LEU HA 10 SER HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 91, 108, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 10 SER HN 10 SER HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 108, 110, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 10 SER HA 11 ALA HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 110, 119, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 10 SER QB 11 ALA HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 112, 113,
&end
#
# 11 ALA HN 11 ALA HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 11 ALA QB 12 ALA HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 123, 124, 125,
&end
#
# 12 ALA HN 12 ALA HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 129, 131, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 12 ALA HA 13 ILE HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 131, 139, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 12 ALA QB 13 ILE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 133, 134, 135,
&end
#
# 13 ILE HN 13 ILE HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 139, 141, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 13 ILE HN 13 ILE QG2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 145, 146, 147,
&end
#
# 13 ILE HN 13 ILE QD1 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 152, 153, 154,
&end
#
# 14 HIS HN 14 HIS HD2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 158, 171, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 14 HIS HN 14 HIS HE1 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 HIS HN 14 HIS QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 162, 163,
&end
#
# 14 HIS HN 15 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 158, 175, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 HIS HD2 15 ARG+ HN 2.30 5.30
&rst
ixpk= 0, nxpk= 0, iat= 171, 175, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80, &end
#
# 14 HIS QB 15 ARG+ HN 0.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 175, r1= 0.30, r2= 0.80, r3= 4.80, r4= 5.30,
igr1= 162, 163,
&end
#
# 14 HIS HA 15 ARG+ HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 160, 175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 HIS QB 16 THR HN 2.30 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
igr1= 162, 163,
&end
#
# 14 HIS HA 16 THR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 160, 199, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 ARG+ HN 15 ARG+ HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 175, 177, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 15 ARG+ HN 15 ARG+ QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 179, 180,
&end
#
# 15 ARG+ HN 15 ARG+ QG 2.30 4.80
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.80, r2= 2.30, r3= 4.80, r4= 5.30,
igr2= 182, 183,
&end
#
# 15 ARG+ HN 15 ARG+ QD 3.30 5.80
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 2.80, r2= 3.30, r3= 5.80, r4= 6.30,
igr2= 185, 186,
&end
#
# 15 ARG+ HA 16 THR HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 ARG+ HN 16 THR HA 2.30 5.30
&rst
ixpk= 0, nxpk= 0, iat= 175, 201, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80, &end
#
# 15 ARG+ HN 16 THR QG2 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 205, 206, 207,
&end
#
# 15 ARG+ HN 18 LEU QD2 0.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 0.30, r2= 0.80, r3= 4.80, r4= 5.30,
igr2= 243, 244, 245,
&end
#
# 15 ARG+ QG 18 LEU HN 2.30 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
igr1= 182, 183,
&end
#
# 15 ARG+ HN 18 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 175, 230, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 15 ARG+ HN 15 ARG+ QG 2.30 4.80
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.80, r2= 2.30, r3= 4.80, r4= 5.30,
igr2= 182, 183,
&end
#
# 15 ARG+ QD 15 ARG+ QB 3.30 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.80, r2= 3.30, r3= 6.80, r4= 7.30,
igr1= 185, 186,
igr2= 179, 180,
&end
#
# 15 ARG+ QD 15 ARG+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 185, 186,
igr2= 182, 183,
&end
#
# 15 ARG+ HN 16 THR HA 2.30 5.30
&rst
ixpk= 0, nxpk= 0, iat= 175, 201, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80, &end
#
# 15 ARG+ HE 16 THR QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 205, 206, 207,
&end
#
# 15 ARG+ QG 18 LEU QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 182, 183,
igr2= 234, 235,
&end
#
# 15 ARG+ QG 16 THR QG2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 182, 183,
igr2= 205, 206, 207,
&end
#
# 15 ARG+ QD 16 THR QG2 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 185, 186,
igr2= 205, 206, 207,
&end
#
# 15 ARG+ QG 18 LEU QD2 2.30 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.80, r2= 2.30, r3= 7.30, r4= 7.80,
igr1= 182, 183,
igr2= 243, 244, 245,
&end
#
# 15 ARG+ HA 16 THR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 ARG+ QB 16 THR HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 179, 180,
&end
#
# 15 ARG+ QG 16 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 182, 183,
&end
#
# 15 ARG+ HN 16 THR HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 175, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 THR HN 16 THR HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 THR HN 16 THR HB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 THR HN 16 THR QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 205, 206, 207,
&end
#
# 16 THR HN 17 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 THR HN 18 LEU QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 234, 235,
&end
#
# 16 THR HA 17 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 THR HN 18 LEU QD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 243, 244, 245,
&end
#
# 16 THR HB 17 GLN HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 203, 213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 THR QG2 17 GLN HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 205, 206, 207,
&end
#
# 16 THR HN 18 LEU QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 234, 235,
&end
#
# 16 THR HB 18 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 203, 230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 THR HA 18 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 201, 230, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 16 THR HN 16 THR HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 THR HN 18 LEU QD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 243, 244, 245,
&end
#
# 16 THR HA 17 GLN QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 217, 218,
&end
#
# 16 THR HA 17 GLN QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 220, 221,
&end
#
# 16 THR HA 17 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 16 THR HB 17 GLN QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 217, 218,
&end
#
# 17 GLN HE21 17 GLN QB 3.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 3.30, r2= 3.80, r3= 6.30, r4= 6.80,
igr2= 217, 218,
&end
#
# 17 GLN QG 17 GLN HE21 1.30 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 225, r1= 0.80, r2= 1.30, r3= 3.80, r4= 4.30,
igr1= 220, 221,
&end
#
# 17 GLN QG 17 GLN HE22 2.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 2.30, r2= 2.80, r3= 5.30, r4= 5.80,
igr1= 220, 221,
&end
#
# 17 GLN QG 17 GLN HN 1.30 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 0.80, r2= 1.30, r3= 3.80, r4= 4.30,
igr1= 220, 221,
&end
#
# 17 GLN QB 17 GLN HN 2.30 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.80, r2= 2.30, r3= 4.80, r4= 5.30,
igr1= 217, 218,
&end
#
# 17 GLN HA 17 GLN HN 2.30 3.80
&rst
ixpk= 0, nxpk= 0, iat= 215, 213, r1= 1.80, r2= 2.30, r3= 3.80, r4= 4.30, &end
#
# 17 GLN HN 17 GLN HE21 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 17 GLN HN 18 LEU HA 2.30 5.30
&rst
ixpk= 0, nxpk= 0, iat= 213, 232, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80, &end
#
# 17 GLN HN 18 LEU QB 2.30 6.30
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
igr2= 234, 235,
&end
#
# 17 GLN HE22 18 LEU QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 234, 235,
&end
#
# 17 GLN HN 18 LEU HN 0.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 213, 230, r1= 0.30, r2= 0.80, r3= 3.80, r4= 4.30, &end
#
# 17 GLN QG 18 LEU HN 2.30 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
igr1= 220, 221,
&end
#
# 17 GLN QB 18 LEU HN 2.30 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
igr1= 217, 218,
&end
#
# 17 GLN HA 18 LEU HN 0.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 215, 230, r1= 0.30, r2= 0.80, r3= 3.80, r4= 4.30, &end
#
# 17 GLN HE22 18 LEU HN 2.30 5.30
&rst
ixpk= 0, nxpk= 0, iat= 226, 230, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80, &end
#
# 17 GLN HE21 18 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 225, 230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 17 GLN HE21 17 GLN QG 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 220, 221,
&end
#
# 17 GLN HE22 17 GLN QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 220, 221,
&end
#
# 17 GLN HA 17 GLN QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 217, 218,
&end
#
# 17 GLN QG 17 GLN QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 220, 221,
igr2= 217, 218,
&end
#
# 17 GLN QB 18 LEU HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 217, 218,
&end
#
# 18 LEU QD2 18 LEU HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 243, 244, 245,
&end
#
# 18 LEU QD1 18 LEU HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 239, 240, 241,
&end
#
# 18 LEU QB 18 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 234, 235,
&end
#
# 18 LEU QB 18 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 234, 235,
&end
#
# 18 LEU HA 18 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 232, 230, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 18 LEU HN 19 TRP HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 230, 249, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 18 LEU HA 19 TRP HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 232, 249, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 18 LEU QQD 19 TRP HN 1.80 8.20
&rst
ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 18 LEU QQD 20 PHE QB 1.80 7.70
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr2= 277, 278,
&end
#
# 19 TRP HA 19 TRP HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 251, 249, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 19 TRP QB 19 TRP HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 253, 254,
&end
#
# 19 TRP HE1 19 TRP HH2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 259, 264, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 19 TRP HE1 19 TRP QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 253, 254,
&end
#
# 19 TRP HN 20 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 249, 273, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 19 TRP HE1 115 CYS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 259,1840, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 19 TRP HA 44 LEU QD1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 665, 666, 667,
&end
#
# 19 TRP QB 43 PHE HE 1.80 7.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1= 253, 254,
igr2= 646, 650,
&end
#
# 20 PHE QB 20 PHE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 277, 278,
&end
#
# 20 PHE HA 21 HIS HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 275, 293, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 PHE HA 44 LEU QD2 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 669, 670, 671,
&end
#
# 20 PHE HA 44 LEU HG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 275, 663, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 PHE QB 45 VAL HB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 277, 278,
&end
#
# 20 PHE QB 21 HIS HA 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 277, 278,
&end
#
# 20 PHE HD 45 VAL QG1 1.80 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 281, 289,
igr2= 681, 682, 683,
&end
#
# 21 HIS HN 21 HIS QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 297, 298,
&end
#
# 21 HIS HN 21 HIS HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 293, 295, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 21 HIS HN 46 ARG+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 695, 696,
&end
#
# 21 HIS HA 22 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 295, 310, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 21 HIS HB2 21 HIS HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 297, 295, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 21 HIS HB2 44 LEU HG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 297, 663, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 21 HIS HN 44 LEU QD1 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 665, 666, 667,
&end
#
# 21 HIS HA 46 ARG+ HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 295, 693, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 21 HIS QB 46 ARG+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 297, 298,
&end
#
# 21 HIS QB 46 ARG+ QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 297, 298,
igr2= 695, 696,
&end
#
# 22 GLY HN 22 GLY HA2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 310, 312, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 22 GLY HN 22 GLY HA3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 310, 313, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 22 GLY HN 24 ILE HB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 310, 345, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 22 GLY HN 46 ARG+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 695, 696,
&end
#
# 22 GLY HA3 49 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 313, 742, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 22 GLY HA3 46 ARG+ HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 313, 693, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 22 GLY HN 46 ARG+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 695, 696,
&end
#
# 22 GLY HN 49 GLN QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 746, 747,
&end
#
# 23 ARG+ HN 23 ARG+ QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 324, 325,
&end
#
# 23 ARG+ HN 23 ARG+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 321, 322,
&end
#
# 23 ARG+ HN 23 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 23 ARG+ HN 23 ARG+ QD 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 327, 328,
&end
#
# 23 ARG+ HA 47 GLU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 319, 715, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 23 ARG+ HA 48 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 319, 731, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 23 ARG+ HA 49 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 319, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 23 ARG+ HA 49 GLN HE21 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 319, 754, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 23 ARG+ QD 50 ARG+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 327, 328,
igr2= 763, 764,
&end
#
# 23 ARG+ QD 50 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 327, 328,
&end
#
# 23 ARG+ QB 50 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 321, 322,
&end
#
# 23 ARG+ HA 50 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 319, 759, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 23 ARG+ QD 23 ARG+ QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 327, 328,
igr2= 321, 322,
&end
#
# 23 ARG+ QD 23 ARG+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 327, 328,
igr2= 324, 325,
&end
#
# 23 ARG+ QB 23 ARG+ QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 321, 322,
igr2= 324, 325,
&end
#
# 23 ARG+ QD 50 ARG+ QD 1.80 7.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1= 327, 328,
igr2= 769, 770,
&end
#
# 23 ARG+ QB 48 SER HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 321, 322,
&end
#
# 23 ARG+ QB 49 GLN QB 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 321, 322,
igr2= 746, 747,
&end
#
# 23 ARG+ HA 24 ILE HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 319, 341, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 ARG+ QD 48 SER HA 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 327, 328,
&end
#
# 23 ARG+ QG 49 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 324, 325,
&end
#
# 23 ARG+ QG 49 GLN QG 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 324, 325,
igr2= 749, 750,
&end
#
# 23 ARG+ QD 50 ARG+ QB 1.80 7.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1= 327, 328,
igr2= 763, 764,
&end
#
# 24 ILE HA 24 ILE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 343, 341, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 24 ILE HB 24 ILE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 345, 341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 ILE HB 25 SER HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 24 ILE QG1 25 SER HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 351, 352,
&end
#
# 24 ILE HB 24 ILE QD1 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 354, 355, 356,
&end
#
# 24 ILE HB 24 ILE QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 347, 348, 349,
&end
#
# 24 ILE QG2 46 ARG+ QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 347, 348, 349,
igr2= 695, 696,
&end
#
# 24 ILE QG2 46 ARG+ HE 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 347, 348, 349,
&end
#
# 24 ILE QG2 46 ARG+ HA 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 347, 348, 349,
&end
#
# 24 ILE HB 46 ARG+ QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 695, 696,
&end
#
# 24 ILE HN 48 SER HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 341, 733, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 SER HA 25 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 362, 360, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 SER QB 25 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 364, 365,
&end
#
# 25 SER HN 26 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 360, 371, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 25 SER HN 29 SER HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 360, 425, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 25 SER HA 28 GLU- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 362, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 25 SER QB 28 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 364, 365,
&end
#
# 25 SER HA 29 SER HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 362, 425, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 25 SER QB 25 SER HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 364, 365,
&end
#
# 25 SER HA 26 ARG+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 375, 376,
&end
#
# 25 SER HA 26 ARG+ HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 362, 371, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 SER QB 28 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 364, 365,
&end
#
# 25 SER QB 26 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 364, 365,
&end
#
# 25 SER QB 28 GLU- QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 364, 365,
igr2= 417, 418,
&end
#
# 25 SER QB 29 SER HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 364, 365,
&end
#
# 26 ARG+ HA 26 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 373, 371, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 ARG+ QD 26 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 381, 382,
&end
#
# 26 ARG+ QB 26 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 375, 376,
&end
#
# 26 ARG+ QG 26 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 378, 379,
&end
#
# 26 ARG+ HN 27 GLU- QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 402, 403,
&end
#
# 26 ARG+ HN 27 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 371, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 ARG+ QG 27 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 378, 379,
&end
#
# 26 ARG+ HA 28 GLU- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 373, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 26 ARG+ QG 28 GLU- HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 378, 379,
&end
#
# 26 ARG+ HA 29 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 373, 425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 ARG+ HA 30 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 373, 436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 ARG+ HA 46 ARG+ HE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 373, 704, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 ARG+ HE 125 Y2P HD 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2=2003,2010,
&end
#
# 26 ARG+ HE 124 GLU- HB2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 384,1984, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 ARG+ HE 124 GLU- HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 384,1985, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 ARG+ HE 124 GLU- QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1987,1988,
&end
#
# 26 ARG+ HA 26 ARG+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 375, 376,
&end
#
# 26 ARG+ QD 26 ARG+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 381, 382,
igr2= 375, 376,
&end
#
# 26 ARG+ QD 26 ARG+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 381, 382,
igr2= 378, 379,
&end
#
# 26 ARG+ QG 26 ARG+ HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 378, 379,
&end
#
# 26 ARG+ HA 30 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 373, 436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 ARG+ HA 29 SER QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 429, 430,
&end
#
# 26 ARG+ HA 30 GLN QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 443, 444,
&end
#
# 26 ARG+ QB 47 GLU HA 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 375, 376,
&end
#
# 26 ARG+ QB 56 VAL HB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 375, 376,
&end
#
# 26 ARG+ QB 56 VAL QG1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 375, 376,
igr2= 861, 862, 863,
&end
#
# 26 ARG+ QG 125 Y2P HE 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 378, 379,
igr2=2005,2008,
&end
#
# 26 ARG+ QG 125 Y2P HD 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 378, 379,
igr2=2003,2010,
&end
#
# 26 ARG+ QG 125 Y2P HD 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 378, 379,
igr2=2003,2010,
&end
#
# 26 ARG+ QG 125 Y2P HE 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 378, 379,
igr2=2005,2008,
&end
#
# 27 GLU- HA 27 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 397, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 27 GLU- QG 27 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 402, 403,
&end
#
# 27 GLU- QG 28 GLU- HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 402, 403,
&end
#
# 27 GLU- HA 28 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 397, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 GLU- HA 29 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 397, 425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 27 GLU- HA 30 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 397, 436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 28 GLU- HA 28 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 412, 410, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 28 GLU- QG 28 GLU- HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 417, 418,
&end
#
# 28 GLU- QB 28 GLU- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 414, 415,
&end
#
# 28 GLU- HN 29 SER HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 28 GLU- HN 29 SER HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 410, 425, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 GLU- HA 29 SER HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 412, 425, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU- QB 29 SER HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 414, 415,
&end
#
# 28 GLU- HA 30 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 412, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 28 GLU- HN 30 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 410, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 28 GLU- HA 31 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 412, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 GLU- QB 32 LEU HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 414, 415,
&end
#
# 28 GLU- QB 28 GLU- QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 414, 415,
igr2= 417, 418,
&end
#
# 28 GLU- QB 28 GLU- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 414, 415,
&end
#
# 28 GLU- HA 29 SER HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 412, 427, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 28 GLU- HA 29 SER QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 429, 430,
&end
#
# 28 GLU- QB 31 ARG+ QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 414, 415,
igr2= 457, 458,
&end
#
# 28 GLU- QB 32 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 414, 415,
igr2= 486, 487, 488,
&end
#
# 29 SER HA 29 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 427, 425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 SER QB 29 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 429, 430,
&end
#
# 29 SER HN 32 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 486, 487, 488,
&end
#
# 29 SER HN 30 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 425, 436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 SER HA 30 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 427, 436, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 29 SER QB 30 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 429, 430,
&end
#
# 29 SER HA 32 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 427, 477, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 SER HA 33 ILE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 427, 496, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 SER HA 32 LEU QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 481, 482,
&end
#
# 29 SER HA 31 ARG+ QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 457, 458,
&end
#
# 29 SER QB 30 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 429, 430,
&end
#
# 29 SER QB 30 GLN HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 429, 430,
&end
#
# 29 SER HA 32 LEU QQD 1.80 6.20
&rst
ixpk= 0, nxpk= 0, iat= 427, 483, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 29 SER HN 32 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 486, 487, 488,
&end
#
# 29 SER HA 33 ILE QD1 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 509, 510, 511,
&end
#
# 30 GLN HE21 30 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 448, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 30 GLN HA 30 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 30 GLN QG 30 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 443, 444,
&end
#
# 30 GLN QB 30 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 440, 441,
&end
#
# 30 GLN QB 30 GLN HE21 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 440, 441,
&end
#
# 30 GLN QG 30 GLN HE21 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 443, 444,
&end
#
# 30 GLN QB 30 GLN HE22 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 440, 441,
&end
#
# 30 GLN QG 30 GLN HE22 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 443, 444,
&end
#
# 30 GLN HA 30 GLN HE21 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 438, 448, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 30 GLN HE21 30 GLN HE22 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 448, 449, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 GLN HN 33 ILE HB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 436, 500, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 30 GLN HN 33 ILE QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 509, 510, 511,
&end
#
# 30 GLN HA 31 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 438, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 30 GLN QG 31 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 443, 444,
&end
#
# 30 GLN QB 31 ARG+ HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 440, 441,
&end
#
# 30 GLN HA 32 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 438, 477, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 30 GLN HA 33 ILE HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 438, 496, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 30 GLN QB 34 GLY HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 440, 441,
&end
#
# 30 GLN QB 65 VAL HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 440, 441,
&end
#
# 30 GLN HE21 65 VAL HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 448,1006, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 30 GLN QB 30 GLN HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 440, 441,
&end
#
# 30 GLN QG 30 GLN HE21 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 443, 444,
&end
#
# 30 GLN QG 30 GLN HE22 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 443, 444,
&end
#
# 30 GLN QG 30 GLN QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 443, 444,
igr2= 440, 441,
&end
#
# 30 GLN HE21 30 GLN QB 0.60 3.60
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 0.10, r2= 0.60, r3= 3.60, r4= 4.10,
igr2= 440, 441,
&end
#
# 30 GLN HA 65 VAL HB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 438,1010, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 30 GLN HA 33 ILE HB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 438, 500, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 30 GLN HA 33 ILE QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 509, 510, 511,
&end
#
# 30 GLN QB 34 GLY HA2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 440, 441,
&end
#
# 30 GLN HE22 65 VAL QG2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1016,1017,1018,
&end
#
# 30 GLN HE21 66 LYS+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 448,1024, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 30 GLN QB 66 LYS+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 440, 441,
&end
#
# 31 ARG+ HN 31 ARG+ HE 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 453, 466, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 31 ARG+ HN 31 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 ARG+ QB 31 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 457, 458,
&end
#
# 31 ARG+ QG 31 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 460, 461,
&end
#
# 31 ARG+ HE 31 ARG+ HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 466, 453, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 31 ARG+ HN 32 LEU QQD 1.80 7.20
&rst
ixpk= 0, nxpk= 0, iat= 453, 483, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 31 ARG+ HN 34 GLY HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 453, 515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 31 ARG+ HN 32 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 453, 477, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 31 ARG+ QB 33 ILE HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 457, 458,
&end
#
# 31 ARG+ HN 31 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 31 ARG+ QB 32 LEU HG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 457, 458,
&end
#
# 31 ARG+ QG 32 LEU QD1 1.80 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 460, 461,
igr2= 486, 487, 488,
&end
#
# 31 ARG+ QG 32 LEU HG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 460, 461,
&end
#
# 31 ARG+ QG 32 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 460, 461,
&end
#
# 31 ARG+ QG 32 LEU QQD 1.80 8.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20,
igr1= 460, 461,
&end
#
# 32 LEU HA 32 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 479, 477, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 32 LEU QB 32 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 481, 482,
&end
#
# 32 LEU HG 32 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 484, 477, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 LEU QD1 32 LEU HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 486, 487, 488,
&end
#
# 32 LEU QQD 32 LEU HN 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 483, 477, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 32 LEU HN 33 ILE HB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 477, 500, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 32 LEU HN 33 ILE QD1 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 509, 510, 511,
&end
#
# 32 LEU HG 33 ILE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 484, 496, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 32 LEU QD1 33 ILE HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 486, 487, 488,
&end
#
# 32 LEU QQD 33 ILE HN 1.80 7.20
&rst
ixpk= 0, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 32 LEU HN 34 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 477, 515, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 LEU HA 32 LEU QD1 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 486, 487, 488,
&end
#
# 32 LEU HA 32 LEU QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 481, 482,
&end
#
# 32 LEU QD1 32 LEU QD2 1.80 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 486, 487, 488,
igr2= 490, 491, 492,
&end
#
# 32 LEU QD1 32 LEU HG 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 486, 487, 488,
&end
#
# 32 LEU QD1 32 LEU QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 486, 487, 488,
igr2= 481, 482,
&end
#
# 32 LEU QQD 33 ILE QD1 1.80 8.00
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr2= 509, 510, 511,
&end
#
# 33 ILE HA 33 ILE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 33 ILE HB 33 ILE HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 500, 496, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 ILE QG1 33 ILE HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 506, 507,
&end
#
# 33 ILE QG2 33 ILE HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 502, 503, 504,
&end
#
# 33 ILE HN 34 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 496, 515, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 ILE HN 35 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 496, 522, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 33 ILE HA 34 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 ILE HB 34 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 33 ILE QG2 34 GLY HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 502, 503, 504,
&end
#
# 33 ILE QD1 34 GLY HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 509, 510, 511,
&end
#
# 33 ILE HN 34 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 496, 515, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 ILE HA 35 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 498, 522, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 ILE HB 35 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 33 ILE QG2 35 GLN HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 502, 503, 504,
&end
#
# 33 ILE HA 36 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 498, 539, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 33 ILE QG2 36 GLN QE2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 502, 503, 504,
igr2= 551, 552,
&end
#
# 33 ILE QG1 36 GLN QE2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 506, 507,
igr2= 551, 552,
&end
#
# 33 ILE HA 36 GLN QE2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 551, 552,
&end
#
# 33 ILE QG2 117 ARG+ HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 502, 503, 504,
&end
#
# 33 ILE QG1 33 ILE HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 506, 507,
&end
#
# 33 ILE QG1 33 ILE HB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 506, 507,
&end
#
# 33 ILE QG2 33 ILE HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 502, 503, 504,
&end
#
# 33 ILE QD1 33 ILE HA 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 509, 510, 511,
&end
#
# 33 ILE QD1 33 ILE HB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 509, 510, 511,
&end
#
# 33 ILE QD1 33 ILE QG2 1.80 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 509, 510, 511,
igr2= 502, 503, 504,
&end
#
# 33 ILE QG2 33 ILE HB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 502, 503, 504,
&end
#
# 33 ILE HB 34 GLY HA3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 500, 518, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 33 ILE QG2 34 GLY HA3 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 502, 503, 504,
&end
#
# 33 ILE QG2 36 GLN QG 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 502, 503, 504,
igr2= 546, 547,
&end
#
# 33 ILE HA 36 GLN QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 546, 547,
&end
#
# 34 GLY HA3 34 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 518, 515, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 34 GLY HA2 34 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 GLY HN 35 GLN QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 526, 527,
&end
#
# 34 GLY HN 65 VAL HB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 515,1010, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 34 GLY HN 36 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 515, 539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 34 GLY HN 35 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 515, 522, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 GLY HA2 35 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 517, 522, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 34 GLY HA3 35 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 34 GLY HA2 36 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 517, 539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 34 GLY HA3 36 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 34 GLY HA2 65 VAL QG1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1012,1013,1014,
&end
#
# 34 GLY HA3 65 VAL QG1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1012,1013,1014,
&end
#
# 34 GLY HA3 65 VAL QG2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1016,1017,1018,
&end
#
# 35 GLN HN 35 GLN HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 35 GLN HN 35 GLN QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 529, 530,
&end
#
# 35 GLN HN 35 GLN QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 526, 527,
&end
#
# 35 GLN HN 36 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 35 GLN HN 36 GLN QE2 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 551, 552,
&end
#
# 35 GLN HN 36 GLN HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 522, 541, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 35 GLN HN 36 GLN QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 546, 547,
&end
#
# 35 GLN HA 36 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 35 GLN QG 36 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 529, 530,
&end
#
# 35 GLN QB 36 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 526, 527,
&end
#
# 35 GLN HN 35 GLN HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 35 GLN QB 35 GLN HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 526, 527,
&end
#
# 35 GLN QB 35 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 526, 527,
&end
#
# 35 GLN QB 35 GLN QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 526, 527,
igr2= 529, 530,
&end
#
# 35 GLN HA 36 GLN HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 35 GLN QG 36 GLN QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 529, 530,
igr2= 546, 547,
&end
#
# 36 GLN HA 36 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 36 GLN QG 36 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 546, 547,
&end
#
# 36 GLN QB 36 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 543, 544,
&end
#
# 36 GLN QE2 36 GLN QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 551, 552,
igr2= 546, 547,
&end
#
# 36 GLN QE2 36 GLN QB 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 551, 552,
igr2= 543, 544,
&end
#
# 36 GLN QB 37 GLY HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 543, 544,
&end
#
# 36 GLN HA 37 GLY HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 GLN HA 38 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 541, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 36 GLN QB 38 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 543, 544,
&end
#
# 36 GLN QE2 117 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 551, 552,
&end
#
# 36 GLN HA 36 GLN QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 546, 547,
&end
#
# 36 GLN HA 36 GLN HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 GLN HA 36 GLN QE2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2= 551, 552,
&end
#
# 36 GLN QB 36 GLN QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 543, 544,
igr2= 546, 547,
&end
#
# 36 GLN QB 36 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 543, 544,
&end
#
# 36 GLN QB 36 GLN QE2 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 543, 544,
igr2= 551, 552,
&end
#
# 36 GLN HA 38 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 576, 577, 578,
&end
#
# 36 GLN HA 37 GLY HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 GLN HA 37 GLY HA3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 541, 559, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 36 GLN QB 38 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 543, 544,
igr2= 576, 577, 578,
&end
#
# 37 GLY HN 37 GLY HA3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 556, 559, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 GLY HN 37 GLY HA2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 556, 558, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 37 GLY HN 38 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 576, 577, 578,
&end
#
# 37 GLY HN 38 LEU HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 556, 565, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 37 GLY HN 38 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 556, 563, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 GLY HN 38 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 556, 563, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 GLY HA2 38 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 GLY HA3 38 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 559, 563, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 GLY HA2 37 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 558, 556, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 37 GLY HA3 37 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 559, 556, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 37 GLY HA3 37 GLY HA2 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 559, 558, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 GLY HN 38 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 576, 577, 578,
&end
#
# 38 LEU HA 38 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 38 LEU QB 38 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 567, 568,
&end
#
# 38 LEU HG 38 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 570, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 LEU QD1 38 LEU HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 572, 573, 574,
&end
#
# 38 LEU QD2 38 LEU HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 576, 577, 578,
&end
#
# 38 LEU HN 39 VAL HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 563, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 38 LEU HN 60 CYS HB2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 563, 924, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 38 LEU HA 39 VAL HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 565, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 38 LEU QB 39 VAL HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 567, 568,
&end
#
# 38 LEU HG 39 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 570, 582, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 LEU QD1 39 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 572, 573, 574,
&end
#
# 38 LEU HN 38 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 38 LEU HG 38 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 570, 565, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 38 LEU QD2 38 LEU HA 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 576, 577, 578,
&end
#
# 38 LEU QD1 38 LEU HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 572, 573, 574,
&end
#
# 38 LEU QD1 38 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 572, 573, 574,
&end
#
# 38 LEU QD2 38 LEU QB 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 576, 577, 578,
igr2= 567, 568,
&end
#
# 38 LEU QD2 38 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 576, 577, 578,
&end
#
# 38 LEU HG 42 LEU HG 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 570, 624, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 38 LEU QD2 42 LEU HG 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 576, 577, 578,
&end
#
# 38 LEU QB 39 VAL QG2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 567, 568,
igr2= 592, 593, 594,
&end
#
# 38 LEU QB 42 LEU QD2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 567, 568,
igr2= 630, 631, 632,
&end
#
# 39 VAL HA 39 VAL HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 584, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 39 VAL HB 39 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 586, 582, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 VAL QG1 39 VAL HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 588, 589, 590,
&end
#
# 39 VAL QG2 39 VAL HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 592, 593, 594,
&end
#
# 39 VAL HN 110 LEU HG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 582,1755, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 39 VAL HN 40 ASP- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 582, 598, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 39 VAL HA 40 ASP- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 584, 598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 39 VAL HB 40 ASP- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 586, 598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 39 VAL QG2 40 ASP- HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 592, 593, 594,
&end
#
# 39 VAL QG1 40 ASP- HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 588, 589, 590,
&end
#
# 39 VAL HB 41 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 586, 610, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 VAL HA 41 GLY HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 584, 610, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 39 VAL HA 39 VAL HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 584, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 39 VAL HA 39 VAL QG1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 588, 589, 590,
&end
#
# 39 VAL HA 39 VAL QG2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 592, 593, 594,
&end
#
# 39 VAL HB 39 VAL QG1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 588, 589, 590,
&end
#
# 39 VAL HB 39 VAL QG2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 592, 593, 594,
&end
#
# 39 VAL HN 39 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 592, 593, 594,
&end
#
# 39 VAL HN 39 VAL QG1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 588, 589, 590,
&end
#
# 39 VAL HA 40 ASP- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 584, 598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 39 VAL HA 110 LEU HG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 584,1755, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 VAL HB 110 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1761,1762,1763,
&end
#
# 39 VAL QG1 40 ASP- HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 588, 589, 590,
&end
#
# 39 VAL QG2 40 ASP- HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 592, 593, 594,
&end
#
# 39 VAL QG2 41 GLY HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 592, 593, 594,
&end
#
# 39 VAL QG2 110 LEU QB 1.80 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 592, 593, 594,
igr2=1752,1753,
&end
#
# 39 VAL HA 41 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 584, 610, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 39 VAL HB 41 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 586, 610, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 VAL QG2 42 LEU HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 592, 593, 594,
&end
#
# 39 VAL QG2 42 LEU HG 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 592, 593, 594,
&end
#
# 39 VAL QG2 42 LEU QD2 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 592, 593, 594,
igr2= 630, 631, 632,
&end
#
# 39 VAL HB 110 LEU QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1752,1753,
&end
#
# 39 VAL HB 110 LEU HG 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 586,1755, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 ASP- HN 40 ASP- HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 598, 600, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 40 ASP- HN 40 ASP- QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 602, 603,
&end
#
# 40 ASP- HN 41 GLY HA2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 598, 612, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 40 ASP- HN 61 HIS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 598, 933, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 40 ASP- HN 109 CYS HB2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 598,1741, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 40 ASP- HN 110 LEU QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1752,1753,
&end
#
# 40 ASP- HN 106 ILE QG2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1691,1692,1693,
&end
#
# 40 ASP- HN 62 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 598, 948, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 40 ASP- HN 41 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 598, 610, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 ASP- HN 110 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 598,1748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 40 ASP- HA 41 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 600, 610, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 ASP- HA 42 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 600, 617, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 40 ASP- QB 62 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 602, 603,
&end
#
# 40 ASP- HA 40 ASP- QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 602, 603,
&end
#
# 40 ASP- HN 40 ASP- QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 602, 603,
&end
#
# 40 ASP- HA 41 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 600, 610, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 40 ASP- QB 61 HIS HB2 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 602, 603,
&end
#
# 40 ASP- HN 110 LEU QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1752,1753,
&end
#
# 41 GLY HN 41 GLY HA3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 610, 613, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 41 GLY HN 41 GLY HA2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 41 GLY HN 110 LEU QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1752,1753,
&end
#
# 41 GLY HN 113 HIS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 610,1812, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 GLY HN 42 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 610, 619, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 GLY HN 61 HIS HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 610, 933, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 41 GLY HA2 42 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 GLY HA3 42 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 613, 617, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 41 GLY HA3 43 PHE HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 613, 636, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 GLY HA3 60 CYS HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 613, 920, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 GLY HN 60 CYS HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 610, 920, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 41 GLY HA3 105 GLY QA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1680,1681,
&end
#
# 41 GLY HA2 105 GLY QA 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1680,1681,
&end
#
# 41 GLY HA3 106 ILE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 613,1685, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 41 GLY HA2 114 CYS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 612,1827, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 41 GLY HA3 114 CYS HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 613,1827, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 GLY HA2 41 GLY HA3 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 612, 613, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 GLY HA2 113 HIS HA 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 612,1812, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 LEU HN 42 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 617, 619, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 42 LEU HN 42 LEU QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 621, 622,
&end
#
# 42 LEU HN 61 HIS HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 617, 933, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 42 LEU HN 60 CYS HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 617, 922, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 42 LEU HN 43 PHE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 617, 636, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 42 LEU HA 43 PHE HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 619, 636, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 LEU QB 43 PHE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 621, 622,
&end
#
# 42 LEU QD1 43 PHE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 626, 627, 628,
&end
#
# 42 LEU HA 60 CYS HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 619, 920, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 42 LEU QB 60 CYS HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 621, 622,
&end
#
# 42 LEU HN 60 CYS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 617, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 42 LEU QD1 114 CYS HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 626, 627, 628,
&end
#
# 42 LEU QD2 114 CYS HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 630, 631, 632,
&end
#
# 42 LEU HA 116 THR HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 619,1849, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 42 LEU QD1 116 THR HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 626, 627, 628,
&end
#
# 42 LEU QB 117 ARG+ HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 621, 622,
&end
#
# 42 LEU HG 42 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 624, 619, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 42 LEU QB 42 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 621, 622,
&end
#
# 42 LEU QD1 42 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 626, 627, 628,
&end
#
# 42 LEU QB 42 LEU HG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 621, 622,
&end
#
# 42 LEU QD1 42 LEU HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 626, 627, 628,
&end
#
# 42 LEU QD1 42 LEU QD2 1.80 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 626, 627, 628,
igr2= 630, 631, 632,
&end
#
# 42 LEU QD2 42 LEU HG 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 630, 631, 632,
&end
#
# 42 LEU HA 60 CYS HB3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 619, 925, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 42 LEU HA 113 HIS HB3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 619,1815, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 42 LEU HA 114 CYS HB2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 619,1831, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 42 LEU QD1 43 PHE HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 626, 627, 628,
&end
#
# 43 PHE HA 43 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 638, 636, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 PHE HB3 43 PHE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 641, 636, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 43 PHE HB2 43 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 640, 636, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 PHE HE 43 PHE HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 646, 650,
&end
#
# 43 PHE HD 43 PHE HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 644, 652,
&end
#
# 43 PHE HN 59 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 636, 903, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 43 PHE HN 115 CYS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 636,1840, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 43 PHE HN 60 CYS HB3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 636, 925, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 43 PHE HN 113 HIS HB3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 636,1815, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 43 PHE HN 59 LEU QD2 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 914, 915, 916,
&end
#
# 43 PHE HN 44 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 636, 656, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 43 PHE HN 116 THR HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 636,1849, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 43 PHE HN 114 CYS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 636,1827, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 43 PHE HB3 44 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 641, 656, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 PHE HB2 44 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 640, 656, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 43 PHE HD 44 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 644, 652,
&end
#
# 43 PHE HD 45 VAL HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 644, 652,
&end
#
# 43 PHE HA 59 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 638, 901, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 43 PHE HA 60 CYS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 638, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 PHE HB3 60 CYS HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 641, 920, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 43 PHE HB2 60 CYS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 640, 920, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 43 PHE HA 43 PHE HB3 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 638, 641, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 43 PHE HB2 43 PHE HB3 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 640, 641, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 PHE HA 44 LEU QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 660, 661,
&end
#
# 43 PHE HB3 58 SER HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 641, 890, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 43 PHE HB3 59 LEU QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 905, 906,
&end
#
# 43 PHE HB3 57 LEU QD2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 884, 885, 886,
&end
#
# 43 PHE HB2 59 LEU QD2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 914, 915, 916,
&end
#
# 43 PHE HD 59 LEU QD2 1.80 8.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
igr1= 644, 652,
igr2= 914, 915, 916,
&end
#
# 43 PHE HB3 59 LEU QD2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 914, 915, 916,
&end
#
# 43 PHE HN 113 HIS HB2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 636,1814, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 44 LEU HN 44 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 656, 658, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 44 LEU HN 44 LEU HG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 656, 663, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 44 LEU HN 44 LEU QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 660, 661,
&end
#
# 44 LEU HN 59 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 656, 903, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 44 LEU HN 57 LEU HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 656, 873, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 44 LEU HN 57 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 884, 885, 886,
&end
#
# 44 LEU HN 59 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 914, 915, 916,
&end
#
# 44 LEU HN 58 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 656, 890, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 44 LEU HN 45 VAL HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 656, 675, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 44 LEU HA 45 VAL HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 658, 675, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 LEU HG 45 VAL HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 663, 675, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 44 LEU QB 45 VAL HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 660, 661,
&end
#
# 44 LEU QD1 45 VAL HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 665, 666, 667,
&end
#
# 44 LEU HG 46 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 663, 691, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 44 LEU QB 46 ARG+ HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 660, 661,
&end
#
# 44 LEU QB 44 LEU HG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 660, 661,
&end
#
# 44 LEU QD1 44 LEU QD2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 665, 666, 667,
igr2= 669, 670, 671,
&end
#
# 44 LEU QD1 44 LEU HG 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 665, 666, 667,
&end
#
# 44 LEU QD1 44 LEU QB 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 665, 666, 667,
igr2= 660, 661,
&end
#
# 44 LEU QD2 44 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 669, 670, 671,
&end
#
# 44 LEU QD2 44 LEU QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 669, 670, 671,
igr2= 660, 661,
&end
#
# 44 LEU HG 46 ARG+ QD 1.80 7.20
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr2= 701, 702,
&end
#
# 44 LEU QD1 118 VAL QQG 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 665, 666, 667,
&end
#
# 44 LEU QD2 46 ARG+ QB 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 669, 670, 671,
igr2= 695, 696,
&end
#
# 44 LEU HG 45 VAL HB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 663, 679, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 44 LEU HG 46 ARG+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 663, 693, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 44 LEU QB 46 ARG+ QD 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 660, 661,
igr2= 701, 702,
&end
#
# 44 LEU HG 46 ARG+ QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 695, 696,
&end
#
# 44 LEU HA 58 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 658, 890, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 44 LEU QB 58 SER HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 660, 661,
&end
#
# 44 LEU HN 59 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 656, 903, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 44 LEU HN 59 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 914, 915, 916,
&end
#
# 45 VAL HN 45 VAL HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 675, 677, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 45 VAL HN 45 VAL HB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 675, 679, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 45 VAL HN 45 VAL QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 685, 686, 687,
&end
#
# 45 VAL HN 45 VAL QG1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 681, 682, 683,
&end
#
# 45 VAL HN 58 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 675, 890, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 45 VAL HA 46 ARG+ HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 677, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 VAL HB 46 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 679, 691, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 45 VAL QG1 46 ARG+ HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 681, 682, 683,
&end
#
# 45 VAL QG1 57 LEU HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 681, 682, 683,
&end
#
# 45 VAL QG1 58 SER HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 681, 682, 683,
&end
#
# 45 VAL HB 45 VAL QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 685, 686, 687,
&end
#
# 45 VAL HN 45 VAL QG1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 681, 682, 683,
&end
#
# 45 VAL HN 45 VAL QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 685, 686, 687,
&end
#
# 45 VAL HB 45 VAL QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 685, 686, 687,
&end
#
# 45 VAL HB 45 VAL QG1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 681, 682, 683,
&end
#
# 45 VAL QG2 45 VAL QG1 1.80 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 685, 686, 687,
igr2= 681, 682, 683,
&end
#
# 45 VAL QG2 57 LEU HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 685, 686, 687,
&end
#
# 45 VAL QG1 46 ARG+ HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 681, 682, 683,
&end
#
# 45 VAL QG1 58 SER HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 681, 682, 683,
&end
#
# 45 VAL QG1 81 PHE HE 1.80 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 681, 682, 683,
igr2=1291,1295,
&end
#
# 45 VAL QG1 56 VAL HA 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 681, 682, 683,
&end
#
# 45 VAL QG1 56 VAL QG2 1.80 6.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 681, 682, 683,
igr2= 865, 866, 867,
&end
#
# 45 VAL HB 46 ARG+ HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 679, 693, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 45 VAL QG1 55 PHE HA 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 681, 682, 683,
&end
#
# 45 VAL HA 56 VAL HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 677, 855, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 45 VAL QG1 57 LEU QD2 1.80 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 681, 682, 683,
igr2= 884, 885, 886,
&end
#
# 45 VAL HA 58 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 677, 890, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 46 ARG+ HA 46 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 46 ARG+ QD 46 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 701, 702,
&end
#
# 46 ARG+ QB 46 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 695, 696,
&end
#
# 46 ARG+ QD 46 ARG+ HE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 701, 702,
&end
#
# 46 ARG+ HN 57 LEU HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 691, 873, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 46 ARG+ HN 47 GLU HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 691, 717, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 46 ARG+ HN 56 VAL QG1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 861, 862, 863,
&end
#
# 46 ARG+ HE 56 VAL QG1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 861, 862, 863,
&end
#
# 46 ARG+ HA 47 GLU HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 693, 715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 ARG+ QB 47 GLU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 695, 696,
&end
#
# 46 ARG+ HN 47 GLU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 691, 715, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 46 ARG+ QD 46 ARG+ HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 701, 702,
&end
#
# 46 ARG+ QB 46 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 695, 696,
&end
#
# 46 ARG+ HN 46 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 691, 693, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 46 ARG+ QB 46 ARG+ QD 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 695, 696,
igr2= 701, 702,
&end
#
# 46 ARG+ HA 55 PHE HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 693, 837, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 46 ARG+ HA 47 GLU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 693, 717, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 46 ARG+ HA 47 GLU QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 719, 720,
&end
#
# 46 ARG+ HA 47 GLU HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 693, 715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 46 ARG+ QD 58 SER HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 701, 702,
&end
#
# 46 ARG+ QD 56 VAL HB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 701, 702,
&end
#
# 46 ARG+ QD 47 GLU HA 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 701, 702,
&end
#
# 46 ARG+ HN 47 GLU HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 691, 717, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 46 ARG+ HN 56 VAL QG1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 861, 862, 863,
&end
#
# 46 ARG+ HN 56 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 865, 866, 867,
&end
#
# 46 ARG+ HE 56 VAL QG1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 861, 862, 863,
&end
#
# 47 GLU HA 47 GLU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 47 GLU QG 47 GLU HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 722, 723,
&end
#
# 47 GLU QB 47 GLU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 719, 720,
&end
#
# 47 GLU HA 48 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 717, 731, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 47 GLU QG 48 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 722, 723,
&end
#
# 47 GLU QG 54 GLY HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 722, 723,
&end
#
# 47 GLU QB 54 GLY HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 719, 720,
&end
#
# 47 GLU QG 55 PHE HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 722, 723,
&end
#
# 47 GLU HA 56 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 717, 855, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 47 GLU QB 56 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 719, 720,
&end
#
# 47 GLU QG 56 VAL HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 722, 723,
&end
#
# 47 GLU HA 47 GLU QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 719, 720,
&end
#
# 47 GLU HA 47 GLU QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 722, 723,
&end
#
# 47 GLU HA 47 GLU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 47 GLU QG 47 GLU HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 722, 723,
&end
#
# 47 GLU QG 47 GLU QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 722, 723,
igr2= 719, 720,
&end
#
# 47 GLU HA 56 VAL QG1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 861, 862, 863,
&end
#
# 47 GLU HA 56 VAL QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 865, 866, 867,
&end
#
# 47 GLU HA 48 SER HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 717, 731, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 47 GLU QG 56 VAL HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 722, 723,
&end
#
# 47 GLU QG 48 SER HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 722, 723,
&end
#
# 47 GLU QG 56 VAL QG1 1.80 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 722, 723,
igr2= 861, 862, 863,
&end
#
# 47 GLU QB 56 VAL QG1 1.80 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 719, 720,
igr2= 861, 862, 863,
&end
#
# 47 GLU QB 48 SER QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 719, 720,
igr2= 735, 736,
&end
#
# 47 GLU QB 54 GLY HA2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 719, 720,
&end
#
# 47 GLU QB 55 PHE HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 719, 720,
&end
#
# 47 GLU QG 55 PHE HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 722, 723,
&end
#
# 48 SER HN 48 SER QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 735, 736,
&end
#
# 48 SER HN 48 SER HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 731, 733, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 48 SER HN 54 GLY HA2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 731, 830, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 48 SER HN 49 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 731, 742, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 48 SER HA 49 GLN HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 733, 742, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 SER QB 49 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 735, 736,
&end
#
# 48 SER QB 51 ASN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 735, 736,
&end
#
# 48 SER HA 51 ASN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 733, 783, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 48 SER QB 54 GLY HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 735, 736,
&end
#
# 48 SER HN 54 GLY HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 731, 828, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 48 SER HN 56 VAL HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 731, 855, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 48 SER QB 51 ASN QD2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 735, 736,
igr2= 792, 793,
&end
#
# 48 SER HA 48 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 733, 731, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 48 SER HA 49 GLN QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 749, 750,
&end
#
# 48 SER HA 50 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 733, 759, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 49 GLN HA 49 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 744, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 49 GLN QB 49 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 746, 747,
&end
#
# 49 GLN QG 49 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 749, 750,
&end
#
# 49 GLN HE22 49 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 755, 742, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 49 GLN HE21 49 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 754, 742, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 GLN HE21 49 GLN QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 746, 747,
&end
#
# 49 GLN HE21 49 GLN HE22 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 754, 755, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 GLN HN 51 ASN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 742, 783, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 49 GLN HN 50 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 49 GLN HE21 50 ARG+ QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 763, 764,
&end
#
# 49 GLN QG 50 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 749, 750,
&end
#
# 49 GLN HE22 50 ARG+ QD 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 769, 770,
&end
#
# 49 GLN HA 51 ASN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 744, 783, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 49 GLN QG 49 GLN QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 749, 750,
igr2= 746, 747,
&end
#
# 49 GLN QG 49 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 749, 750,
&end
#
# 49 GLN QG 49 GLN HE21 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 749, 750,
&end
#
# 49 GLN QB 49 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 746, 747,
&end
#
# 50 ARG+ HA 50 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 761, 759, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 50 ARG+ QG 50 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 766, 767,
&end
#
# 50 ARG+ QB 50 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 763, 764,
&end
#
# 50 ARG+ QG 50 ARG+ HE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 766, 767,
&end
#
# 50 ARG+ QD 50 ARG+ HE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 769, 770,
&end
#
# 50 ARG+ QB 50 ARG+ HE 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 763, 764,
&end
#
# 50 ARG+ HN 51 ASN HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 759, 785, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 50 ARG+ HA 51 ASN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 761, 783, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 50 ARG+ QB 51 ASN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 763, 764,
&end
#
# 50 ARG+ QG 51 ASN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 766, 767,
&end
#
# 50 ARG+ QG 51 ASN QD2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 766, 767,
igr2= 792, 793,
&end
#
# 50 ARG+ QB 51 ASN QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 763, 764,
igr2= 792, 793,
&end
#
# 50 ARG+ QG 50 ARG+ HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 766, 767,
&end
#
# 50 ARG+ QB 50 ARG+ HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 763, 764,
&end
#
# 50 ARG+ HN 50 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 759, 761, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 50 ARG+ QD 50 ARG+ QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 769, 770,
igr2= 766, 767,
&end
#
# 50 ARG+ QD 50 ARG+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 769, 770,
igr2= 763, 764,
&end
#
# 50 ARG+ QD 50 ARG+ HE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 769, 770,
&end
#
# 50 ARG+ QB 50 ARG+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 763, 764,
igr2= 766, 767,
&end
#
# 50 ARG+ HE 50 ARG+ QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 766, 767,
&end
#
# 50 ARG+ QD 51 ASN QD2 1.80 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 769, 770,
igr2= 792, 793,
&end
#
# 51 ASN HA 51 ASN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 51 ASN QB 51 ASN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 787, 788,
&end
#
# 51 ASN QD2 51 ASN HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 792, 793,
&end
#
# 51 ASN QD2 51 ASN QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 792, 793,
igr2= 787, 788,
&end
#
# 51 ASN HN 53 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 783, 811, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 51 ASN QB 54 GLY HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 787, 788,
&end
#
# 51 ASN HN 125 Y2P HE 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2005,2008,
&end
#
# 51 ASN QD2 125 Y2P HE 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 792, 793,
igr2=2005,2008,
&end
#
# 51 ASN QB 51 ASN HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 787, 788,
&end
#
# 51 ASN QD2 51 ASN HA 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 792, 793,
&end
#
# 51 ASN QD2 51 ASN QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 792, 793,
igr2= 787, 788,
&end
#
# 51 ASN HN 51 ASN QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 787, 788,
&end
#
# 53 GLN HN 53 GLN HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 811, 813, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 53 GLN HN 53 GLN QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 815, 816,
&end
#
# 53 GLN HN 53 GLN QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 818, 819,
&end
#
# 53 GLN HN 55 PHE HE 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 845, 849,
&end
#
# 53 GLN QG 54 GLY HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 818, 819,
&end
#
# 53 GLN QB 54 GLY HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 815, 816,
&end
#
# 53 GLN HA 54 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 813, 828, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 53 GLN HA 53 GLN QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 818, 819,
&end
#
# 53 GLN HA 53 GLN QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 815, 816,
&end
#
# 53 GLN QG 53 GLN QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 818, 819,
igr2= 815, 816,
&end
#
# 53 GLN HA 71 LEU HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 813,1122, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 53 GLN HN 54 GLY HA2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 811, 830, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 54 GLY HA3 54 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 831, 828, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 54 GLY HA2 54 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 830, 828, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 54 GLY HN 55 PHE HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 828, 835, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 54 GLY HA2 55 PHE HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 830, 837, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 54 GLY HA3 55 PHE HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 831, 835, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 PHE HA 55 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 837, 835, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 55 PHE QB 55 PHE HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 839, 840,
&end
#
# 55 PHE HN 69 LEU HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 835,1084, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 55 PHE HN 56 VAL HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 835, 857, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 55 PHE HA 56 VAL HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 837, 855, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 PHE QB 55 PHE HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 839, 840,
&end
#
# 55 PHE HN 55 PHE HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 835, 837, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 55 PHE QB 55 PHE HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 839, 840,
&end
#
# 55 PHE HA 56 VAL QG1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 861, 862, 863,
&end
#
# 55 PHE QB 69 LEU HA 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 839, 840,
&end
#
# 55 PHE QB 79 LEU QQD 1.80 7.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1= 839, 840,
&end
#
# 56 VAL HA 56 VAL HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 857, 855, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 56 VAL HB 56 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 859, 855, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 56 VAL QG1 56 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 861, 862, 863,
&end
#
# 56 VAL QG2 56 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 865, 866, 867,
&end
#
# 56 VAL HN 69 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 855,1084, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 56 VAL HN 69 LEU QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1086,1087,
&end
#
# 56 VAL HB 57 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 859, 871, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 56 VAL QG2 57 LEU HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 865, 866, 867,
&end
#
# 56 VAL HA 68 TYR HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 857,1061, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 56 VAL HB 68 TYR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 859,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 56 VAL HA 56 VAL QG1 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 861, 862, 863,
&end
#
# 56 VAL HA 56 VAL HB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 857, 859, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 56 VAL QG1 56 VAL HB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 861, 862, 863,
&end
#
# 56 VAL QG2 56 VAL HB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 865, 866, 867,
&end
#
# 56 VAL QG2 56 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 865, 866, 867,
&end
#
# 56 VAL QG1 56 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 861, 862, 863,
&end
#
# 56 VAL QG1 56 VAL QG2 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 861, 862, 863,
igr2= 865, 866, 867,
&end
#
# 56 VAL HA 57 LEU QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 875, 876,
&end
#
# 56 VAL HA 68 TYR HB3 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 857,1066, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 56 VAL HA 68 TYR HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 857,1061, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 56 VAL HB 69 LEU QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1086,1087,
&end
#
# 56 VAL HB 69 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 859,1084, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 56 VAL HB 67 HIS HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 859,1046, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 56 VAL QG1 69 LEU QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 861, 862, 863,
igr2=1086,1087,
&end
#
# 56 VAL QG2 69 LEU QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 865, 866, 867,
igr2=1086,1087,
&end
#
# 56 VAL QG1 67 HIS HB3 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 861, 862, 863,
&end
#
# 56 VAL HA 68 TYR HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 857,1063, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 56 VAL HB 125 Y2P HD 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=2003,2010,
&end
#
# 56 VAL QG1 125 Y2P HE 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 861, 862, 863,
igr2=2005,2008,
&end
#
# 56 VAL QG1 125 Y2P HD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 861, 862, 863,
igr2=2003,2010,
&end
#
# 56 VAL HA 125 Y2P HE 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2005,2008,
&end
#
# 56 VAL QG1 125 Y2P HE 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 861, 862, 863,
igr2=2005,2008,
&end
#
# 57 LEU HA 57 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 873, 871, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 57 LEU QB 57 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 875, 876,
&end
#
# 57 LEU HG 57 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 878, 871, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 57 LEU HN 68 TYR HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 871,1063, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 57 LEU HN 68 TYR HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 871,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 LEU HN 69 LEU QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1086,1087,
&end
#
# 57 LEU QD2 58 SER HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 884, 885, 886,
&end
#
# 57 LEU HA 68 TYR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 873,1061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 57 LEU QB 68 TYR HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 875, 876,
&end
#
# 57 LEU QB 57 LEU HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 875, 876,
&end
#
# 57 LEU QD2 57 LEU HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 884, 885, 886,
&end
#
# 57 LEU QD2 57 LEU QB 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 884, 885, 886,
igr2= 875, 876,
&end
#
# 57 LEU HA 68 TYR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 873,1061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 57 LEU HA 68 TYR HB3 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 873,1066, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 57 LEU QD2 58 SER HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 884, 885, 886,
&end
#
# 57 LEU QD2 58 SER OG 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 884, 885, 886,
&end
#
# 57 LEU HG 58 SER HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 878, 890, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 57 LEU QB 58 SER HA 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 875, 876,
&end
#
# 57 LEU HG 59 LEU QD2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 914, 915, 916,
&end
#
# 57 LEU QB 67 HIS HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 875, 876,
&end
#
# 58 SER HA 58 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 892, 890, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 58 SER QB 58 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 894, 895,
&end
#
# 58 SER HN 67 HIS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 890,1046, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 58 SER HN 59 LEU QD2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 914, 915, 916,
&end
#
# 58 SER HA 67 HIS HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 892,1044, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 58 SER HA 68 TYR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 892,1061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 58 SER HN 67 HIS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 890,1046, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 59 LEU HN 59 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 901, 903, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 59 LEU HN 59 LEU QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 905, 906,
&end
#
# 59 LEU HN 59 LEU QD1 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 910, 911, 912,
&end
#
# 59 LEU HN 59 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 914, 915, 916,
&end
#
# 59 LEU QB 59 LEU QD2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 905, 906,
igr2= 914, 915, 916,
&end
#
# 59 LEU HN 66 LYS+ HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 901,1024, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 59 LEU HN 60 CYS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 901, 922, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 59 LEU HN 65 VAL HB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 901,1010, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 59 LEU HN 66 LYS+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 901,1022, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 59 LEU HA 60 CYS HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 903, 920, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 LEU QB 60 CYS HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 905, 906,
&end
#
# 59 LEU QD2 60 CYS HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 914, 915, 916,
&end
#
# 59 LEU QB 66 LYS+ HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 905, 906,
&end
#
# 59 LEU QD1 106 ILE HA 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 910, 911, 912,
&end
#
# 59 LEU QD1 107 LEU HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 910, 911, 912,
&end
#
# 59 LEU HN 59 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 901, 903, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 59 LEU QD1 59 LEU HA 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 910, 911, 912,
&end
#
# 59 LEU QD2 59 LEU HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 914, 915, 916,
&end
#
# 59 LEU QD2 59 LEU QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 914, 915, 916,
igr2= 905, 906,
&end
#
# 59 LEU QD2 59 LEU HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 914, 915, 916,
&end
#
# 59 LEU QD1 59 LEU QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 910, 911, 912,
igr2= 905, 906,
&end
#
# 59 LEU HA 60 CYS HB3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 903, 925, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 59 LEU QB 66 LYS+ QG 1.80 7.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1= 905, 906,
igr2=1029,1030,
&end
#
# 59 LEU HN 67 HIS HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 901,1046, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 60 CYS HA 60 CYS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 922, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 60 CYS HB2 60 CYS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 924, 920, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 60 CYS HB3 60 CYS HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 925, 920, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 60 CYS HN 61 HIS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 920, 931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 60 CYS HB2 61 HIS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 924, 931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 60 CYS HB2 65 VAL QG1 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1012,1013,1014,
&end
#
# 60 CYS HN 61 HIS HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 920, 933, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 60 CYS HN 61 HIS HB2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 60 CYS HN 61 HIS HB3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 920, 936, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 61 HIS HN 64 LYS+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 931, 984, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 61 HIS HN 65 VAL QQG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 931,1009, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 61 HIS HB3 62 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 936, 948, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 61 HIS HB2 62 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 935, 948, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 61 HIS HA 62 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 933, 948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 HIS HN 62 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 931, 948, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 61 HIS HA 63 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 933, 967, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 61 HIS HB2 63 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= 935, 967, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 61 HIS HB3 64 LYS+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 936, 984, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 61 HIS HN 64 LYS+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 931, 984, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 61 HIS HB3 64 LYS+ QD 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 994, 995,
&end
#
# 61 HIS HN 64 LYS+ HG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 931, 991, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 62 LEU HN 62 LEU QD1 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 957, 958, 959,
&end
#
# 62 LEU HN 62 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 948, 950, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 62 LEU HN 63 GLN QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 974, 975,
&end
#
# 62 LEU HN 63 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 948, 967, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 62 LEU HA 63 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 950, 967, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 LEU QD1 110 LEU HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 957, 958, 959,
&end
#
# 62 LEU HA 62 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 957, 958, 959,
&end
#
# 62 LEU HA 62 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 961, 962, 963,
&end
#
# 62 LEU HA 62 LEU HG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 950, 955, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 62 LEU HA 62 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 950, 948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 62 LEU HN 62 LEU QD1 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2= 957, 958, 959,
&end
#
# 62 LEU HA 62 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 957, 958, 959,
&end
#
# 62 LEU HA 63 GLN HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 950, 969, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 LEU QD1 109 CYS HB2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 957, 958, 959,
&end
#
# 62 LEU QD1 109 CYS HB3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 957, 958, 959,
&end
#
# 62 LEU QD2 109 CYS HB2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1741, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 961, 962, 963,
&end
#
# 63 GLN HA 63 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 63 GLN QB 63 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 971, 972,
&end
#
# 63 GLN QG 63 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 974, 975,
&end
#
# 63 GLN HA 64 LYS+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 969, 984, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 63 GLN QG 64 LYS+ HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 974, 975,
&end
#
# 63 GLN QB 64 LYS+ QD 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 971, 972,
igr2= 994, 995,
&end
#
# 63 GLN QB 64 LYS+ QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 971, 972,
igr2= 988, 989,
&end
#
# 63 GLN HA 63 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 63 GLN HA 63 GLN QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 971, 972,
&end
#
# 63 GLN HA 63 GLN QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 974, 975,
&end
#
# 63 GLN QG 63 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 974, 975,
&end
#
# 63 GLN HA 64 LYS+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 969, 986, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 63 GLN HA 64 LYS+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 988, 989,
&end
#
# 64 LYS+ HA 64 LYS+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 986, 984, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 64 LYS+ QE 64 LYS+ HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 997, 998,
&end
#
# 64 LYS+ QD 64 LYS+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 994, 995,
&end
#
# 64 LYS+ QB 64 LYS+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 988, 989,
&end
#
# 64 LYS+ QG 64 LYS+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 991, 992,
&end
#
# 64 LYS+ QB 64 LYS+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 988, 989,
&end
#
# 64 LYS+ HA 65 VAL HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 986,1006, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 64 LYS+ HN 65 VAL QQG 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= 984,1009, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 64 LYS+ QB 65 VAL HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 988, 989,
&end
#
# 64 LYS+ QD 65 VAL HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 994, 995,
&end
#
# 64 LYS+ HN 65 VAL HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 984,1006, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 64 LYS+ HN 64 LYS+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 984, 986, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 64 LYS+ HN 64 LYS+ QD 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 994, 995,
&end
#
# 64 LYS+ HN 64 LYS+ QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 988, 989,
&end
#
# 64 LYS+ HA 64 LYS+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 988, 989,
&end
#
# 64 LYS+ QE 64 LYS+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 997, 998,
igr2= 991, 992,
&end
#
# 64 LYS+ QD 64 LYS+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 994, 995,
igr2= 991, 992,
&end
#
# 64 LYS+ QB 64 LYS+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 988, 989,
igr2= 991, 992,
&end
#
# 64 LYS+ QB 65 VAL HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 988, 989,
&end
#
# 64 LYS+ QG 65 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 991, 992,
&end
#
# 64 LYS+ QG 66 LYS+ QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 991, 992,
igr2=1026,1027,
&end
#
# 64 LYS+ QG 66 LYS+ QD 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 991, 992,
igr2=1032,1033,
&end
#
# 64 LYS+ QD 66 LYS+ QD 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 994, 995,
igr2=1032,1033,
&end
#
# 65 VAL QG2 65 VAL HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1016,1017,1018,
&end
#
# 65 VAL QG1 65 VAL HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1012,1013,1014,
&end
#
# 66 LYS+ HA 66 LYS+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1024,1022, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 65 VAL HB 66 LYS+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1010,1022, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 65 VAL QG1 66 LYS+ HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1012,1013,1014,
&end
#
# 65 VAL HB 65 VAL QG1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1012,1013,1014,
&end
#
# 65 VAL QG2 65 VAL QG1 1.80 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1016,1017,1018,
igr2=1012,1013,1014,
&end
#
# 65 VAL HB 65 VAL QG2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1016,1017,1018,
&end
#
# 65 VAL QG1 66 LYS+ HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1012,1013,1014,
&end
#
# 65 VAL HA 66 LYS+ HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1008,1022, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 VAL HN 66 LYS+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1006,1024, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 65 VAL HA 66 LYS+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1008,1024, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 65 VAL HB 66 LYS+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1010,1024, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 65 VAL HA 66 LYS+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1026,1027,
&end
#
# 65 VAL HN 66 LYS+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1026,1027,
&end
#
# 66 LYS+ HA 66 LYS+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1024,1022, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 66 LYS+ QB 66 LYS+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1026,1027,
&end
#
# 66 LYS+ QD 66 LYS+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1032,1033,
&end
#
# 66 LYS+ QG 66 LYS+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1029,1030,
&end
#
# 66 LYS+ HN 67 HIS HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1022,1046, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 66 LYS+ HA 67 HIS HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1024,1044, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 66 LYS+ QG 67 HIS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1029,1030,
&end
#
# 66 LYS+ QD 67 HIS HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1032,1033,
&end
#
# 66 LYS+ HN 66 LYS+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1022,1024, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 66 LYS+ QB 66 LYS+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1026,1027,
&end
#
# 66 LYS+ QD 66 LYS+ HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1032,1033,
&end
#
# 66 LYS+ QG 66 LYS+ HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1029,1030,
&end
#
# 66 LYS+ QD 66 LYS+ QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1032,1033,
igr2=1026,1027,
&end
#
# 66 LYS+ QG 66 LYS+ QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1029,1030,
igr2=1026,1027,
&end
#
# 66 LYS+ QG 66 LYS+ QD 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1029,1030,
igr2=1032,1033,
&end
#
# 66 LYS+ QB 66 LYS+ QD 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1026,1027,
igr2=1032,1033,
&end
#
# 66 LYS+ HA 67 HIS HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1024,1044, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 LYS+ QD 67 HIS HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1032,1033,
&end
#
# 66 LYS+ QG 67 HIS HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1029,1030,
&end
#
# 66 LYS+ QB 126 VAL QQG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1026,1027,
&end
#
# 66 LYS+ HA 67 HIS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1024,1046, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 67 HIS HA 67 HIS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 67 HIS HB2 67 HIS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1048,1044, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 67 HIS HB3 67 HIS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1049,1044, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 67 HIS HA 68 TYR HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1046,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 HIS HB2 68 TYR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1048,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 67 HIS HB3 68 TYR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1049,1061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 67 HIS HA 69 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1046,1082, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 67 HIS HA 67 HIS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 67 HIS HA 68 TYR HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1046,1063, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 68 TYR HA 68 TYR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1063,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 68 TYR HB2 68 TYR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1065,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 68 TYR HB3 68 TYR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1066,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 68 TYR HD 68 TYR HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1069,1078,
&end
#
# 68 TYR HN 69 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1061,1084, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 68 TYR HN 69 LEU QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1086,1087,
&end
#
# 68 TYR HB2 69 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1065,1082, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 68 TYR HB3 69 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1066,1082, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 68 TYR HD 69 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1069,1078,
&end
#
# 68 TYR HA 68 TYR HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1063,1065, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 68 TYR HA 70 ILE QG1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1111,1112,
&end
#
# 68 TYR HA 69 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1063,1084, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 68 TYR HA 81 PHE HD 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1289,1297,
&end
#
# 69 LEU HA 69 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1084,1082, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 69 LEU QD1 69 LEU HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1091,1092,1093,
&end
#
# 69 LEU HN 70 ILE QG1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1111,1112,
&end
#
# 69 LEU QD1 127 ASN HD22 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1091,1092,1093,
&end
#
# 69 LEU HN 125 Y2P HD 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
igr2=2003,2010,
&end
#
# 69 LEU HN 125 Y2P HE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2005,2008,
&end
#
# 69 LEU HN 125 Y2P HB2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1082,1999, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 69 LEU HN 126 VAL HB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1082,2023, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 69 LEU QB 69 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1086,1087,
&end
#
# 69 LEU QB 69 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1086,1087,
igr2=1091,1092,1093,
&end
#
# 69 LEU QB 69 LEU QD2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1086,1087,
igr2=1095,1096,1097,
&end
#
# 69 LEU QD1 70 ILE QG1 1.80 7.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1091,1092,1093,
igr2=1111,1112,
&end
#
# 69 LEU QD1 125 Y2P HE 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1091,1092,1093,
igr2=2005,2008,
&end
#
# 69 LEU QD1 125 Y2P HE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1091,1092,1093,
igr2=2005,2008,
&end
#
# 69 LEU QB 125 Y2P HD 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1086,1087,
igr2=2003,2010,
&end
#
# 69 LEU QD1 125 Y2P HE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1091,1092,1093,
igr2=2005,2008,
&end
#
# 69 LEU QD2 125 Y2P HE 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1095,1096,1097,
igr2=2005,2008,
&end
#
# 70 ILE HN 127 ASN HD22 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1101,2045, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 70 ILE QG2 128 GLN HE22 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1107,1108,1109,
&end
#
# 70 ILE QD1 128 GLN HE22 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1114,1115,1116,
&end
#
# 70 ILE QD1 126 VAL HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1114,1115,1116,
&end
#
# 70 ILE QG1 126 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1111,1112,
&end
#
# 70 ILE QG1 125 Y2P HD 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1111,1112,
igr2=2003,2010,
&end
#
# 70 ILE QD1 127 ASN HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2035, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1114,1115,1116,
&end
#
# 70 ILE QG1 127 ASN HD22 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1111,1112,
&end
#
# 70 ILE QG2 127 ASN HD22 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1107,1108,1109,
&end
#
# 70 ILE QD1 127 ASN HD22 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2045, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1114,1115,1116,
&end
#
# 70 ILE QG2 128 GLN HE22 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1107,1108,1109,
&end
#
# 70 ILE QG1 128 GLN HE22 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1111,1112,
&end
#
# 70 ILE QG1 130 ASP HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1111,1112,
&end
#
# 70 ILE QD1 130 ASP HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1114,1115,1116,
&end
#
# 71 LEU QB 80 TYR HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1124,1125,
&end
#
# 71 LEU QD1 81 PHE HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1129,1130,1131,
&end
#
# 71 LEU HN 81 PHE HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1120,1283, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 71 LEU QQD 127 ASN HD22 1.80 7.20
&rst
ixpk= 0, nxpk= 0, iat=1126,2045, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 71 LEU QD2 128 GLN HE22 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1133,1134,1135,
&end
#
# 73 SER HN 73 SER HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1153,1155, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 73 SER HN 73 SER QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1157,1158,
&end
#
# 73 SER HN 79 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1153,1243, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 SER HN 74 GLU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1153,1164, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 SER HA 74 GLU HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1155,1164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 SER QB 79 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1157,1158,
&end
#
# 73 SER HA 79 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1155,1241, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 73 SER HA 80 TYR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1155,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 73 SER HN 80 TYR HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1153,1260, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 SER QB 79 LEU HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1157,1158,
&end
#
# 74 GLU HN 74 GLU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1164,1166, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 74 GLU HN 74 GLU QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1168,1169,
&end
#
# 74 GLU HN 74 GLU QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1171,1172,
&end
#
# 74 GLU HN 75 GLU- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 74 GLU HN 80 TYR HD 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1268,1277,
&end
#
# 74 GLU HN 79 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1164,1243, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 74 GLU HN 77 GLY HA2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1164,1212, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 74 GLU QG 75 GLU- HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1171,1172,
&end
#
# 74 GLU HA 75 GLU- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1166,1180, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 74 GLU HA 76 GLU- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1166,1195, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 74 GLU QG 76 GLU- HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1171,1172,
&end
#
# 74 GLU QB 76 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1168,1169,
&end
#
# 74 GLU HA 77 GLY HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1166,1210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 74 GLU QB 77 GLY HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1168,1169,
&end
#
# 74 GLU QB 76 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1168,1169,
&end
#
# 74 GLU QB 75 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1168,1169,
&end
#
# 74 GLU QB 75 GLU- HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1168,1169,
&end
#
# 74 GLU QB 75 GLU- QG 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1168,1169,
igr2=1187,1188,
&end
#
# 74 GLU QB 76 GLU- QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1168,1169,
igr2=1202,1203,
&end
#
# 74 GLU QB 76 GLU- QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1168,1169,
igr2=1199,1200,
&end
#
# 74 GLU HN 79 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1164,1243, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 75 GLU- QG 75 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1187,1188,
&end
#
# 75 GLU- HA 75 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1182,1180, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 75 GLU- HN 76 GLU- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1180,1195, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 75 GLU- QG 76 GLU- HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1187,1188,
&end
#
# 75 GLU- HA 77 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1182,1210, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 75 GLU- HN 75 GLU- HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1180,1182, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 76 GLU- HA 76 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1197,1195, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 76 GLU- QG 76 GLU- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1202,1203,
&end
#
# 76 GLU- QB 76 GLU- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1199,1200,
&end
#
# 76 GLU- QG 77 GLY HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1202,1203,
&end
#
# 76 GLU- QB 77 GLY HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1199,1200,
&end
#
# 76 GLU- HN 77 GLY HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1195,1210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 GLU- QB 76 GLU- QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1199,1200,
igr2=1202,1203,
&end
#
# 76 GLU- QB 76 GLU- HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1199,1200,
&end
#
# 76 GLU- HN 76 GLU- HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1195,1197, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 76 GLU- QG 77 GLY HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1202,1203,
&end
#
# 76 GLU- HA 77 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 76 GLU- QG 89 ARG+ QD 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1202,1203,
igr2=1401,1402,
&end
#
# 77 GLY HA2 77 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1212,1210, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 77 GLY HA3 77 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1213,1210, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 77 GLY HN 78 ARG+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1210,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 77 GLY HN 89 ARG+ QD 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1401,1402,
&end
#
# 77 GLY HN 78 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1210,1217, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 77 GLY HA2 78 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1212,1217, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 77 GLY HA3 78 ARG+ HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1213,1217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 77 GLY HA2 77 GLY HA3 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1212,1213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 GLY HA2 77 GLY HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1212,1210, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 77 GLY HA3 77 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1213,1210, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 77 GLY HA2 78 ARG+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1212,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 77 GLY HA3 78 ARG+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1213,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 77 GLY HN 78 ARG+ HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1210,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 77 GLY HA3 90 PHE HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1213,1417, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 78 ARG+ HN 78 ARG+ QD 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1227,1228,
&end
#
# 78 ARG+ HN 78 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1217,1219, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 ARG+ HN 90 PHE QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1419,1420,
&end
#
# 78 ARG+ HN 90 PHE HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1217,1417, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 78 ARG+ HN 91 THR HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1217,1435, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 78 ARG+ HN 79 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1217,1241, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 78 ARG+ HA 79 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1219,1241, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 ARG+ QB 79 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1221,1222,
&end
#
# 78 ARG+ QG 79 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1224,1225,
&end
#
# 78 ARG+ HN 79 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1217,1241, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 78 ARG+ HE 90 PHE HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1230,1417, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 78 ARG+ QG 91 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1224,1225,
&end
#
# 78 ARG+ QB 91 THR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1221,1222,
&end
#
# 78 ARG+ HA 78 ARG+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1221,1222,
&end
#
# 78 ARG+ HA 78 ARG+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1224,1225,
&end
#
# 78 ARG+ HA 78 ARG+ QD 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1227,1228,
&end
#
# 78 ARG+ HA 78 ARG+ HE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1219,1230, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 ARG+ HA 78 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1219,1217, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 ARG+ QD 78 ARG+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1227,1228,
igr2=1224,1225,
&end
#
# 78 ARG+ QD 78 ARG+ QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1227,1228,
igr2=1221,1222,
&end
#
# 78 ARG+ QD 78 ARG+ HE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1227,1228,
&end
#
# 78 ARG+ HN 78 ARG+ QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1221,1222,
&end
#
# 78 ARG+ HN 78 ARG+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1224,1225,
&end
#
# 78 ARG+ HA 79 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1219,1241, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 ARG+ HA 80 TYR HD 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1268,1277,
&end
#
# 78 ARG+ QB 79 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1221,1222,
&end
#
# 78 ARG+ QG 90 PHE HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1224,1225,
&end
#
# 78 ARG+ QB 79 LEU HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1221,1222,
&end
#
# 78 ARG+ HA 79 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1219,1243, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 78 ARG+ QG 90 PHE HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1224,1225,
&end
#
# 78 ARG+ HN 90 PHE QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1419,1420,
&end
#
# 79 LEU HN 79 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1241,1243, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 LEU HN 79 LEU QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1245,1246,
&end
#
# 79 LEU HN 79 LEU HG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1241,1248, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 79 LEU HN 79 LEU QQD 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1241,1247, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 79 LEU HN 91 THR HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1241,1437, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 79 LEU HN 91 THR HB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1241,1439, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 79 LEU HN 90 PHE HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1241,1417, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 LEU QQD 80 TYR HN 1.80 7.70
&rst
ixpk= 0, nxpk= 0, iat=1247,1260, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 79 LEU HG 80 TYR HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 79 LEU HA 80 TYR HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1243,1260, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 LEU QB 81 PHE HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1245,1246,
&end
#
# 79 LEU QB 90 PHE HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1245,1246,
&end
#
# 79 LEU HN 91 THR HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1241,1435, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 79 LEU QB 92 ASP- HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1245,1246,
&end
#
# 79 LEU HN 92 ASP- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1241,1449, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 79 LEU QQD 79 LEU HA 1.80 6.20
&rst
ixpk= 0, nxpk= 0, iat=1247,1243, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 79 LEU QB 79 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1245,1246,
&end
#
# 79 LEU HN 79 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1241,1243, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 LEU QB 79 LEU QQD 1.80 7.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1=1245,1246,
&end
#
# 79 LEU QB 79 LEU HG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1245,1246,
&end
#
# 79 LEU QB 79 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1245,1246,
&end
#
# 79 LEU QQD 79 LEU HG 1.80 5.70
&rst
ixpk= 0, nxpk= 0, iat=1247,1248, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 79 LEU HN 79 LEU HG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1241,1248, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 79 LEU HN 79 LEU QQD 1.80 7.70
&rst
ixpk= 0, nxpk= 0, iat=1241,1247, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 79 LEU HA 80 TYR HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1243,1262, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 79 LEU HA 91 THR HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1243,1437, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 79 LEU QB 80 TYR HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1245,1246,
&end
#
# 80 TYR HB2 80 TYR HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1264,1260, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 80 TYR HB3 80 TYR HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1265,1260, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 80 TYR HA 80 TYR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 80 TYR HD 80 TYR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1268,1277,
&end
#
# 80 TYR HN 81 PHE HD 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1289,1297,
&end
#
# 80 TYR HA 81 PHE HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1262,1281, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 TYR HB2 81 PHE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1264,1281, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 80 TYR HB3 81 PHE HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1265,1281, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 80 TYR HA 80 TYR HB2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1262,1264, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 80 TYR HA 80 TYR HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1262,1265, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 80 TYR HA 80 TYR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 80 TYR HB2 80 TYR HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1264,1260, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 80 TYR HB2 80 TYR HD 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1268,1277,
&end
#
# 80 TYR HA 89 ARG+ QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1395,1396,
&end
#
# 80 TYR HB2 81 PHE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1264,1281, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 80 TYR HA 89 ARG+ HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1262,1393, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 81 PHE HA 81 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 81 PHE QB 81 PHE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1285,1286,
&end
#
# 81 PHE HE 81 PHE HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1281, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1291,1295,
&end
#
# 81 PHE QB 83 MET HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1285,1286,
&end
#
# 81 PHE HA 89 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1283,1391, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 81 PHE HN 89 ARG+ QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1395,1396,
&end
#
# 81 PHE HN 88 THR HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1281,1377, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 81 PHE HN 90 PHE HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1281,1415, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 81 PHE HD 90 PHE HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1289,1297,
&end
#
# 81 PHE HA 81 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 81 PHE HD 81 PHE QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1289,1297,
igr2=1285,1286,
&end
#
# 81 PHE HN 81 PHE QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1285,1286,
&end
#
# 81 PHE HA 127 ASN HB3 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1283,2040, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 81 PHE HA 127 ASN HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1283,2037, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 81 PHE QB 126 VAL QQG 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2022, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1285,1286,
&end
#
# 81 PHE QB 82 SER HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1285,1286,
&end
#
# 81 PHE HN 82 SER HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1281,1301, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 82 SER HN 127 ASN HD21 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1301,2044, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 82 SER HN 127 ASN HD22 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1301,2045, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 82 SER HB2 83 MET HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1305,1312, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 82 SER HB3 83 MET HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1306,1312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 82 SER HA 83 MET HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1303,1312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 82 SER HA 86 GLY HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1303,1353, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 82 SER HA 87 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1303,1360, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 82 SER HA 88 THR HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1303,1377, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 82 SER HA 82 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1303,1301, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 82 SER HA 87 GLN HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1303,1362, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 83 MET HN 83 MET QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1319,1320,
&end
#
# 83 MET HN 83 MET QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1316,1317,
&end
#
# 83 MET HN 83 MET HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1312,1314, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 MET HN 126 VAL QQG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1312,2022, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 83 MET HN 127 ASN HB2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1312,2039, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 83 MET HN 127 ASN HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1312,2037, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 MET HN 86 GLY QA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1355,1356,
&end
#
# 83 MET HN 84 ASP- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1312,1329, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 83 MET QG 84 ASP- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1319,1320,
&end
#
# 83 MET QB 84 ASP- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1316,1317,
&end
#
# 83 MET HA 84 ASP- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1314,1329, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 MET QG 85 ASP- HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1319,1320,
&end
#
# 83 MET QB 85 ASP- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1316,1317,
&end
#
# 83 MET HA 85 ASP- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1314,1341, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 83 MET HA 83 MET HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1314,1312, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 83 MET QG 83 MET HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1319,1320,
&end
#
# 83 MET HA 126 VAL HB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1314,2023, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 83 MET HA 84 ASP- HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1314,1331, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 83 MET QG 107 LEU QD1 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1319,1320,
igr2=1713,1714,1715,
&end
#
# 83 MET QG 107 LEU HG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1711, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1319,1320,
&end
#
# 83 MET QG 84 ASP- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1319,1320,
&end
#
# 83 MET HA 84 ASP- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1314,1329, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 83 MET HN 84 ASP- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1312,1329, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 83 MET QG 84 ASP- QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1319,1320,
igr2=1333,1334,
&end
#
# 84 ASP- QB 84 ASP- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1333,1334,
&end
#
# 84 ASP- HA 84 ASP- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1331,1329, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 ASP- HN 107 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1713,1714,1715,
&end
#
# 84 ASP- HN 126 VAL QQG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1329,2022, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 84 ASP- HN 107 LEU HG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1329,1711, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 84 ASP- QB 85 ASP- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1333,1334,
&end
#
# 84 ASP- HA 85 ASP- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1331,1341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 84 ASP- HN 85 ASP- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1329,1341, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 84 ASP- HA 86 GLY HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1331,1353, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 84 ASP- HN 84 ASP- HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1329,1331, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 ASP- QB 84 ASP- HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1333,1334,
&end
#
# 84 ASP- HN 107 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1713,1714,1715,
&end
#
# 84 ASP- HN 126 VAL QQG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1329,2022, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 84 ASP- HN 86 GLY HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1329,1353, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 84 ASP- HA 85 ASP- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1331,1341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 84 ASP- HA 86 GLY HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1331,1353, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 84 ASP- HA 107 LEU HG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1331,1711, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 84 ASP- QB 107 LEU QD2 1.80 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1333,1334,
igr2=1717,1718,1719,
&end
#
# 84 ASP- QB 107 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1333,1334,
igr2=1713,1714,1715,
&end
#
# 84 ASP- QB 107 LEU QB 1.80 7.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1333,1334,
igr2=1708,1709,
&end
#
# 84 ASP- QB 85 ASP- QB 1.80 7.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1=1333,1334,
igr2=1345,1346,
&end
#
# 85 ASP- QB 85 ASP- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1345,1346,
&end
#
# 85 ASP- HA 85 ASP- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1343,1341, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 85 ASP- HN 107 LEU HG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1341,1711, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 85 ASP- HN 107 LEU HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1341,1706, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 85 ASP- HN 86 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1341,1353, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 85 ASP- HA 86 GLY HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1343,1353, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 85 ASP- HN 85 ASP- QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1345,1346,
&end
#
# 85 ASP- HN 107 LEU HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1341,1706, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 85 ASP- QB 86 GLY HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1345,1346,
&end
#
# 86 GLY HN 86 GLY QA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1355,1356,
&end
#
# 86 GLY HN 87 GLN HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1353,1362, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 86 GLY HN 87 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1353,1360, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 86 GLY QA 87 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1355,1356,
&end
#
# 86 GLY QA 88 THR HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1355,1356,
&end
#
# 86 GLY QA 87 GLN HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1355,1356,
&end
#
# 87 GLN HE22 87 GLN QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1364,1365,
&end
#
# 87 GLN HE21 87 GLN QB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2=1364,1365,
&end
#
# 87 GLN HE22 87 GLN QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1367,1368,
&end
#
# 87 GLN HE21 87 GLN QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1367,1368,
&end
#
# 87 GLN HA 87 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1362,1360, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 87 GLN HN 88 THR HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1360,1379, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 87 GLN HN 88 THR HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1360,1377, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 87 GLN HN 87 GLN QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1364,1365,
&end
#
# 87 GLN HN 87 GLN QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1367,1368,
&end
#
# 87 GLN HN 87 GLN HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1360,1362, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 87 GLN QB 87 GLN HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1364,1365,
&end
#
# 87 GLN QG 87 GLN HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1367,1368,
&end
#
# 87 GLN QG 87 GLN QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1367,1368,
igr2=1364,1365,
&end
#
# 87 GLN QG 87 GLN HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1367,1368,
&end
#
# 87 GLN QG 87 GLN HE22 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1367,1368,
&end
#
# 87 GLN QG 88 THR QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1367,1368,
igr2=1383,1384,1385,
&end
#
# 87 GLN QG 88 THR HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1367,1368,
&end
#
# 88 THR QG2 88 THR HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1383,1384,1385,
&end
#
# 88 THR HB 88 THR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1381,1377, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 88 THR HA 88 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1379,1377, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 88 THR HB 89 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1381,1391, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 88 THR HA 89 ARG+ HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1379,1391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 THR HN 89 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1377,1391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 88 THR HA 90 PHE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1379,1415, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 88 THR HB 90 PHE HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1381,1415, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 89 ARG+ QB 89 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1395,1396,
&end
#
# 89 ARG+ HA 89 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1393,1391, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 89 ARG+ QB 90 PHE HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1395,1396,
&end
#
# 89 ARG+ HA 89 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1393,1391, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 89 ARG+ HA 89 ARG+ QD 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1401,1402,
&end
#
# 89 ARG+ QB 89 ARG+ QD 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1395,1396,
igr2=1401,1402,
&end
#
# 89 ARG+ QD 89 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1401,1402,
&end
#
# 89 ARG+ HA 90 PHE HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1393,1417, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 89 ARG+ HN 90 PHE QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1419,1420,
&end
#
# 90 PHE HA 90 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1417,1415, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 90 PHE QB 90 PHE HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1419,1420,
&end
#
# 90 PHE HN 91 THR HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1415,1435, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 90 PHE HA 91 THR HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1417,1435, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 90 PHE HA 90 PHE QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1419,1420,
&end
#
# 90 PHE HN 91 THR HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1415,1437, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 91 THR HA 91 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1437,1435, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 91 THR HB 91 THR HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1439,1435, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 91 THR HA 92 ASP- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1437,1449, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 91 THR HB 92 ASP- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1439,1449, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 91 THR HN 92 ASP- HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1435,1449, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 91 THR HB 94 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1439,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 91 THR HA 91 THR HB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 92 ASP- HA 92 ASP- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1451,1449, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 92 ASP- QB 92 ASP- HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1453,1454,
&end
#
# 92 ASP- HN 93 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1449,1463, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 92 ASP- HN 93 LEU QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1465,1466,
&end
#
# 92 ASP- HN 93 LEU HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1449,1461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 ASP- HA 93 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1451,1461, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 92 ASP- QB 93 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1453,1454,
&end
#
# 92 ASP- HA 94 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1451,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 92 ASP- HA 95 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1451,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 92 ASP- HN 92 ASP- QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1453,1454,
&end
#
# 92 ASP- HN 92 ASP- HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1449,1451, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 92 ASP- QB 92 ASP- HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1453,1454,
&end
#
# 92 ASP- HN 93 LEU QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1465,1466,
&end
#
# 92 ASP- HA 93 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1451,1461, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 92 ASP- QB 93 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1453,1454,
&end
#
# 92 ASP- HA 94 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1451,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 92 ASP- HA 95 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1451,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 93 LEU HA 93 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1463,1461, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 93 LEU QB 93 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1465,1466,
&end
#
# 93 LEU HG 93 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1468,1461, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 93 LEU QQD 93 LEU HN 1.80 8.20
&rst
ixpk= 0, nxpk= 0, iat=1467,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70, &end
#
# 93 LEU HA 94 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1463,1480, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 93 LEU QB 94 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1465,1466,
&end
#
# 93 LEU HG 94 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 93 LEU QB 95 GLN HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1465,1466,
&end
#
# 93 LEU HA 96 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1463,1516, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 93 LEU HA 97 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1463,1535, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 93 LEU HG 93 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1468,1461, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 93 LEU HA 93 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1463,1461, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 93 LEU HG 93 LEU QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1465,1466,
&end
#
# 93 LEU HA 93 LEU QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1465,1466,
&end
#
# 93 LEU HN 93 LEU QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1465,1466,
&end
#
# 93 LEU HA 95 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1463,1499, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 93 LEU HA 96 LEU QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1520,1521,
&end
#
# 93 LEU QB 94 LEU HA 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1465,1466,
&end
#
# 93 LEU HG 94 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 93 LEU QB 94 LEU QD2 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1465,1466,
igr2=1493,1494,1495,
&end
#
# 93 LEU QB 95 GLN HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1465,1466,
&end
#
# 93 LEU HA 96 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1525,1526,1527,
&end
#
# 93 LEU HG 97 VAL QG2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1545,1546,1547,
&end
#
# 94 LEU HA 94 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1482,1480, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 94 LEU QB 94 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1484,1485,
&end
#
# 94 LEU QD1 94 LEU HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1489,1490,1491,
&end
#
# 94 LEU QD2 94 LEU HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1493,1494,1495,
&end
#
# 94 LEU HN 96 LEU QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1520,1521,
&end
#
# 94 LEU HN 97 VAL QG2 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1545,1546,1547,
&end
#
# 94 LEU HN 95 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1480,1499, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 94 LEU HN 97 VAL HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1480,1535, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 94 LEU HA 95 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1482,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 94 LEU QB 95 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1484,1485,
&end
#
# 94 LEU HG 95 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1487,1499, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 94 LEU HA 97 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1482,1535, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 94 LEU QB 94 LEU HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1484,1485,
&end
#
# 94 LEU HN 94 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1480,1482, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 94 LEU HG 94 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1487,1482, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 94 LEU QD1 94 LEU HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1489,1490,1491,
&end
#
# 94 LEU HG 94 LEU QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1484,1485,
&end
#
# 94 LEU HG 94 LEU QD1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1489,1490,1491,
&end
#
# 94 LEU QB 94 LEU QD1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1484,1485,
igr2=1489,1490,1491,
&end
#
# 94 LEU QB 94 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1484,1485,
igr2=1493,1494,1495,
&end
#
# 94 LEU HG 94 LEU QD2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1493,1494,1495,
&end
#
# 94 LEU HA 97 VAL HB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1482,1539, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 94 LEU HA 95 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1482,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 94 LEU HG 95 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1487,1499, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 94 LEU QB 95 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1484,1485,
&end
#
# 94 LEU QB 97 VAL HB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1484,1485,
&end
#
# 94 LEU QD2 97 VAL HB 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1539, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1493,1494,1495,
&end
#
# 95 GLN HE21 95 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1511,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 95 GLN HA 95 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1501,1499, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 95 GLN HG3 95 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1507,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 95 GLN HG2 95 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1506,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 95 GLN HB2 95 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1503,1499, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 95 GLN HB3 95 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1504,1499, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 95 GLN HN 97 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1499,1535, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 95 GLN HN 96 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1499,1516, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 95 GLN HB3 96 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1504,1516, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 95 GLN HG2 96 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1506,1516, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 95 GLN HA 96 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1501,1516, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 95 GLN HA 97 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1501,1535, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 95 GLN HA 98 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1501,1551, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 95 GLN HA 99 PHE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1501,1566, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 95 GLN HB2 95 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1503,1499, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 95 GLN HB3 95 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1504,1499, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 95 GLN HG3 95 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1507,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 95 GLN HG2 95 GLN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1506,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 95 GLN HE21 95 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1511,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 95 GLN HB2 95 GLN HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1503,1501, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 95 GLN HB3 95 GLN HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1504,1501, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 95 GLN HA 98 GLU- QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1555,1556,
&end
#
# 96 LEU HN 96 LEU QD2 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1529,1530,1531,
&end
#
# 96 LEU HN 96 LEU HG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1516,1523, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 96 LEU HN 96 LEU QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1520,1521,
&end
#
# 96 LEU HA 96 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1518,1516, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 96 LEU HN 97 VAL QG2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1545,1546,1547,
&end
#
# 96 LEU HN 97 VAL HB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1516,1539, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 96 LEU HN 97 VAL HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1516,1535, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 96 LEU QD2 97 VAL HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1529,1530,1531,
&end
#
# 96 LEU HG 97 VAL HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1523,1535, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 96 LEU QB 97 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1520,1521,
&end
#
# 96 LEU HA 97 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1518,1535, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 96 LEU HA 98 GLU- HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1518,1551, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 96 LEU HA 99 PHE HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1518,1566, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 96 LEU HN 99 PHE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1516,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 96 LEU HA 96 LEU QD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1529,1530,1531,
&end
#
# 96 LEU QB 96 LEU HG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1520,1521,
&end
#
# 96 LEU QD1 96 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1525,1526,1527,
&end
#
# 96 LEU QD2 96 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1529,1530,1531,
&end
#
# 96 LEU QB 96 LEU QD1 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1520,1521,
igr2=1525,1526,1527,
&end
#
# 96 LEU QB 96 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1520,1521,
igr2=1529,1530,1531,
&end
#
# 96 LEU QD2 97 VAL HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1529,1530,1531,
&end
#
# 96 LEU QD2 100 HIS+ QB 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1529,1530,1531,
igr2=1590,1591,
&end
#
# 96 LEU QD2 97 VAL HA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1529,1530,1531,
&end
#
# 96 LEU HN 97 VAL HB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1516,1539, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 96 LEU QB 97 VAL QG2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1520,1521,
igr2=1545,1546,1547,
&end
#
# 97 VAL QG2 97 VAL HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1545,1546,1547,
&end
#
# 97 VAL QG1 97 VAL HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1541,1542,1543,
&end
#
# 97 VAL HB 97 VAL HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1539,1535, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 97 VAL HA 97 VAL HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1537,1535, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 97 VAL HN 100 HIS+ QB 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1590,1591,
&end
#
# 97 VAL HN 99 PHE HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1535,1566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 97 VAL HN 98 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1535,1551, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 97 VAL HA 98 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1537,1551, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 97 VAL HB 98 GLU- HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1539,1551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 VAL QG1 98 GLU- HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1541,1542,1543,
&end
#
# 97 VAL HB 99 PHE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1539,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 97 VAL HN 97 VAL QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1545,1546,1547,
&end
#
# 97 VAL HB 97 VAL QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1545,1546,1547,
&end
#
# 97 VAL QG1 97 VAL QG2 1.80 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1541,1542,1543,
igr2=1545,1546,1547,
&end
#
# 97 VAL HB 97 VAL QG1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1541,1542,1543,
&end
#
# 97 VAL HA 98 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1537,1551, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 97 VAL HB 98 GLU- QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1555,1556,
&end
#
# 97 VAL QG1 98 GLU- QB 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1541,1542,1543,
igr2=1555,1556,
&end
#
# 97 VAL HB 98 GLU- HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1539,1553, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 98 GLU- HA 98 GLU- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1553,1551, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 98 GLU- QG 98 GLU- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1558,1559,
&end
#
# 98 GLU- QB 98 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1555,1556,
&end
#
# 98 GLU- HA 99 PHE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1553,1566, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 98 GLU- HN 99 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1551,1566, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 98 GLU- QB 99 PHE HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1555,1556,
&end
#
# 98 GLU- QG 99 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1558,1559,
&end
#
# 98 GLU- HA 101 GLN HE21 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1553,1616, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 GLU- HN 98 GLU- QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1558,1559,
&end
#
# 98 GLU- QB 98 GLU- QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1555,1556,
igr2=1558,1559,
&end
#
# 98 GLU- QG 99 PHE HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1558,1559,
&end
#
# 99 PHE HA 99 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1568,1566, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 99 PHE QB 99 PHE HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1570,1571,
&end
#
# 99 PHE QB 101 GLN HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1570,1571,
&end
#
# 99 PHE HA 101 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1568,1604, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 99 PHE HA 101 GLN HE21 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1568,1616, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 99 PHE QB 102 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1570,1571,
&end
#
# 99 PHE HA 102 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1568,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 99 PHE HA 103 ASN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1568,1640, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 99 PHE QB 103 ASN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1570,1571,
&end
#
# 99 PHE QB 104 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1570,1571,
&end
#
# 99 PHE HA 99 PHE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1568,1566, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 99 PHE HA 101 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1568,1604, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 99 PHE HA 102 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1568,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 99 PHE QB 101 GLN HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1570,1571,
&end
#
# 100 HIS+ QB 101 GLN HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1590,1591,
&end
#
# 101 GLN QB 101 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1608,1609,
&end
#
# 101 GLN QG 101 GLN HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1611,1612,
&end
#
# 101 GLN HA 101 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 GLN HE22 101 GLN QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1608,1609,
&end
#
# 101 GLN HE22 101 GLN QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1611,1612,
&end
#
# 101 GLN HE21 101 GLN QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1608,1609,
&end
#
# 101 GLN HE21 101 GLN QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1611,1612,
&end
#
# 101 GLN HN 102 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1604,1621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 101 GLN QG 102 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1611,1612,
&end
#
# 101 GLN HA 102 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1606,1621, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 101 GLN HE21 102 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1616,1621, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 101 GLN HN 103 ASN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1604,1640, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 101 GLN QG 103 ASN HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1611,1612,
&end
#
# 101 GLN HN 101 GLN HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1604,1606, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 GLN QB 101 GLN HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1608,1609,
&end
#
# 101 GLN QB 101 GLN QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1608,1609,
igr2=1611,1612,
&end
#
# 101 GLN QB 101 GLN HE22 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1608,1609,
&end
#
# 101 GLN HN 102 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1604,1621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 101 GLN QG 102 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1611,1612,
&end
#
# 101 GLN QG 102 LEU QD2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1611,1612,
igr2=1634,1635,1636,
&end
#
# 102 LEU QD2 102 LEU HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1634,1635,1636,
&end
#
# 102 LEU HG 102 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1628,1621, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 102 LEU QB 102 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1625,1626,
&end
#
# 102 LEU HA 102 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1623,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 102 LEU HN 103 ASN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1621,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 102 LEU HA 103 ASN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1623,1640, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 102 LEU QB 103 ASN HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1625,1626,
&end
#
# 102 LEU HA 102 LEU QD1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1630,1631,1632,
&end
#
# 102 LEU HG 102 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1628,1621, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 102 LEU QB 102 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1625,1626,
&end
#
# 102 LEU HA 102 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1623,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 102 LEU HA 102 LEU HG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1623,1628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 102 LEU QD1 102 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1630,1631,1632,
&end
#
# 102 LEU QB 102 LEU HG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1625,1626,
&end
#
# 102 LEU QD1 102 LEU QD2 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1630,1631,1632,
igr2=1634,1635,1636,
&end
#
# 102 LEU QD2 102 LEU HG 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1634,1635,1636,
&end
#
# 102 LEU HN 103 ASN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1621,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 102 LEU HN 103 ASN HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1621,1642, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 102 LEU HA 111 LEU QD2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1780,1781,1782,
&end
#
# 102 LEU HA 112 ARG+ QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1790,1791,
&end
#
# 102 LEU QD2 112 ARG+ QB 1.80 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1634,1635,1636,
igr2=1790,1791,
&end
#
# 102 LEU QB 103 ASN HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1625,1626,
&end
#
# 102 LEU HA 112 ARG+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1623,1788, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 103 ASN HA 103 ASN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1642,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 103 ASN HB3 103 ASN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1645,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 103 ASN HB2 103 ASN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1644,1640, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 103 ASN HN 105 GLY HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1640,1678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 103 ASN HN 104 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1640,1654, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 103 ASN HN 112 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1640,1788, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 103 ASN HN 112 ARG+ QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1790,1791,
&end
#
# 103 ASN HN 111 LEU QD2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1780,1781,1782,
&end
#
# 103 ASN HB2 104 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1644,1654, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 103 ASN HB3 104 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1645,1654, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 103 ASN HB2 105 GLY HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1644,1678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 103 ASN HB2 103 ASN HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1644,1642, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 103 ASN HN 111 LEU QD2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1780,1781,1782,
&end
#
# 103 ASN HN 112 ARG+ QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1790,1791,
&end
#
# 104 ARG+ HN 104 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1654,1656, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 104 ARG+ HN 104 ARG+ QD 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr2=1664,1665,
&end
#
# 104 ARG+ HN 104 ARG+ QG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1661,1662,
&end
#
# 104 ARG+ HN 104 ARG+ QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1654, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1658,1659,
&end
#
# 104 ARG+ HN 104 ARG+ HE 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1654,1667, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 104 ARG+ QG 105 GLY HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1661,1662,
&end
#
# 104 ARG+ QB 105 GLY HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1658,1659,
&end
#
# 104 ARG+ HN 105 GLY HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1654,1678, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 104 ARG+ HN 104 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1654,1656, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 104 ARG+ QB 104 ARG+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1658,1659,
&end
#
# 104 ARG+ QG 104 ARG+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1661,1662,
&end
#
# 104 ARG+ QB 104 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1658,1659,
&end
#
# 104 ARG+ QB 104 ARG+ QD 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1658,1659,
igr2=1664,1665,
&end
#
# 104 ARG+ HA 111 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1780,1781,1782,
&end
#
# 105 GLY QA 105 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1680,1681,
&end
#
# 105 GLY HN 111 LEU QD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1678, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1780,1781,1782,
&end
#
# 105 GLY QA 111 LEU HN 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1680,1681,
&end
#
# 105 GLY QA 106 ILE QG2 1.80 7.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1680,1681,
igr2=1691,1692,1693,
&end
#
# 105 GLY HN 111 LEU QD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1678, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1780,1781,1782,
&end
#
# 106 ILE HN 106 ILE HB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1685,1689, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 106 ILE HN 106 ILE QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1691,1692,1693,
&end
#
# 106 ILE HN 106 ILE HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1685,1687, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 106 ILE HN 111 LEU QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1771,1772,
&end
#
# 106 ILE QG2 107 LEU HN 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1691,1692,1693,
&end
#
# 106 ILE HA 106 ILE QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1691,1692,1693,
&end
#
# 106 ILE HA 106 ILE HB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1687,1689, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 106 ILE HA 106 ILE QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1691,1692,1693,
&end
#
# 106 ILE HA 107 LEU HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1687,1706, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 107 LEU HA 107 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1706,1704, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 LEU QB 107 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1708,1709,
&end
#
# 107 LEU HG 107 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1711,1704, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 LEU QD1 107 LEU HN 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1713,1714,1715,
&end
#
# 107 LEU QD2 107 LEU HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1717,1718,1719,
&end
#
# 107 LEU QD2 107 LEU HA 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1717,1718,1719,
&end
#
# 107 LEU QD1 107 LEU HA 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1713,1714,1715,
&end
#
# 107 LEU HG 107 LEU HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1711,1706, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 LEU QB 107 LEU HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1708,1709,
&end
#
# 107 LEU HN 107 LEU QD2 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1717,1718,1719,
&end
#
# 107 LEU HA 107 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1717,1718,1719,
&end
#
# 107 LEU QD2 107 LEU QB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1717,1718,1719,
igr2=1708,1709,
&end
#
# 107 LEU QD1 107 LEU QB 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1713,1714,1715,
igr2=1708,1709,
&end
#
# 107 LEU HN 126 VAL QQG 1.80 6.80
&rst
ixpk= 0, nxpk= 0, iat=1704,2022, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 109 CYS HN 109 CYS HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1737,1739, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 CYS HN 109 CYS HB2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1737,1741, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 109 CYS HN 109 CYS HB3 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1737,1742, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 CYS HA 110 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1739,1748, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 109 CYS HB2 110 LEU HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1741,1748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 CYS HB3 110 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1742,1748, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 109 CYS HB2 110 LEU QD2 1.80 5.60
&rst
ixpk= 0, nxpk= 0, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1761,1762,1763,
&end
#
# 110 LEU HA 110 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1750,1748, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 110 LEU QB 110 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1752,1753,
&end
#
# 110 LEU HG 110 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1755,1748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 110 LEU QD1 110 LEU HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1757,1758,1759,
&end
#
# 110 LEU QD2 110 LEU HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1761,1762,1763,
&end
#
# 110 LEU HN 111 LEU QD1 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1776,1777,1778,
&end
#
# 110 LEU HN 111 LEU HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1748,1767, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 110 LEU QD1 111 LEU HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1757,1758,1759,
&end
#
# 110 LEU HG 111 LEU HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1755,1767, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 110 LEU QB 111 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1752,1753,
&end
#
# 110 LEU HA 111 LEU HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1750,1767, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 LEU QB 112 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1752,1753,
&end
#
# 110 LEU QD1 110 LEU QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1757,1758,1759,
igr2=1752,1753,
&end
#
# 110 LEU QD2 110 LEU QB 1.80 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1761,1762,1763,
igr2=1752,1753,
&end
#
# 110 LEU QD1 110 LEU HA 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1757,1758,1759,
&end
#
# 110 LEU QD1 110 LEU HN 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1757,1758,1759,
&end
#
# 110 LEU HA 111 LEU QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1771,1772,
&end
#
# 110 LEU QB 111 LEU HA 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1752,1753,
&end
#
# 111 LEU QD2 111 LEU HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1780,1781,1782,
&end
#
# 111 LEU QD1 111 LEU HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1776,1777,1778,
&end
#
# 111 LEU HG 111 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1774,1767, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 111 LEU QB 111 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1771,1772,
&end
#
# 111 LEU HA 111 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1769,1767, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 111 LEU HG 111 LEU QD1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1776,1777,1778,
&end
#
# 111 LEU HG 111 LEU QD2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1780,1781,1782,
&end
#
# 111 LEU HN 112 ARG+ QG 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1793,1794,
&end
#
# 111 LEU HN 112 ARG+ QG 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1793,1794,
&end
#
# 111 LEU HN 112 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1767,1786, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 111 LEU QD1 112 ARG+ HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1776,1777,1778,
&end
#
# 111 LEU QB 112 ARG+ HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1771,1772,
&end
#
# 111 LEU HA 111 LEU QD1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1776,1777,1778,
&end
#
# 111 LEU QD1 112 ARG+ QG 1.80 7.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1=1776,1777,1778,
igr2=1793,1794,
&end
#
# 111 LEU QD2 112 ARG+ QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1780,1781,1782,
igr2=1790,1791,
&end
#
# 111 LEU QD2 112 ARG+ QB 1.80 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1780,1781,1782,
igr2=1790,1791,
&end
#
# 112 ARG+ QG 112 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1793,1794,
&end
#
# 112 ARG+ QB 112 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1790,1791,
&end
#
# 112 ARG+ HA 112 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1788,1786, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 112 ARG+ QG 113 HIS HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1793,1794,
&end
#
# 112 ARG+ QB 113 HIS HN 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1790,1791,
&end
#
# 112 ARG+ HA 112 ARG+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1790,1791,
&end
#
# 112 ARG+ QG 112 ARG+ QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1793,1794,
igr2=1790,1791,
&end
#
# 112 ARG+ HA 112 ARG+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1790,1791,
&end
#
# 112 ARG+ HN 112 ARG+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1790,1791,
&end
#
# 113 HIS HA 113 HIS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1812,1810, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 113 HIS HB2 113 HIS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1814,1810, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 113 HIS HB3 113 HIS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1815,1810, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 113 HIS HN 114 CYS HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1810,1827, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 113 HIS HA 114 CYS HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1812,1827, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 113 HIS HB2 114 CYS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1814,1827, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 113 HIS HB3 113 HIS HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1815,1812, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 113 HIS HB3 113 HIS HB2 1.80 2.60
&rst
ixpk= 0, nxpk= 0, iat=1815,1814, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 113 HIS HB3 114 CYS HB2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=1815,1831, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 113 HIS HA 114 CYS HB3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1812,1832, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 114 CYS HA 114 CYS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1829,1827, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 114 CYS HB2 114 CYS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1831,1827, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 114 CYS HB3 114 CYS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1832,1827, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 114 CYS HN 115 CYS HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1827,1840, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 114 CYS HB2 115 CYS HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1831,1838, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 CYS HB3 115 CYS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1832,1838, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 114 CYS HB2 114 CYS HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1831,1829, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 114 CYS HB3 114 CYS HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1832,1829, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 114 CYS HB3 114 CYS HB2 1.80 2.60
&rst
ixpk= 0, nxpk= 0, iat=1832,1831, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 115 CYS HA 115 CYS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1840,1838, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 115 CYS HB2 115 CYS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1842,1838, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 115 CYS HB3 115 CYS HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1843,1838, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 115 CYS HA 116 THR HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1840,1849, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 CYS HB3 116 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1843,1849, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 116 THR HA 116 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1851,1849, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 116 THR HB 116 THR HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1853,1849, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 116 THR HN 117 ARG+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1849,1863, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 116 THR HB 117 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1853,1863, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 116 THR HA 116 THR HB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1851,1853, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 116 THR HB 117 ARG+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1853,1863, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 117 ARG+ HA 117 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1865,1863, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 117 ARG+ QG 117 ARG+ HN 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1870,1871,
&end
#
# 117 ARG+ QD 117 ARG+ HE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1876, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1873,1874,
&end
#
# 117 ARG+ QG 117 ARG+ HE 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1876, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1870,1871,
&end
#
# 117 ARG+ HN 117 ARG+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1863,1865, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 117 ARG+ QG 117 ARG+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1870,1871,
&end
#
# 117 ARG+ QG 117 ARG+ QD 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1870,1871,
igr2=1873,1874,
&end
#
# 117 ARG+ HE 117 ARG+ QD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1873,1874,
&end
#
# 117 ARG+ QG 118 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1870,1871,
&end
#
# 118 VAL HB 119 ALA HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1891,1903, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 119 ALA HA 119 ALA HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1905,1903, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 119 ALA HA 120 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1905,1913, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 119 ALA QB 120 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1907,1908,1909,
&end
#
# 120 LEU QQD 120 LEU HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1919,1913, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 124 GLU- QG 125 Y2P HD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1987,1988,
igr2=2003,2010,
&end
#
# 125 Y2P HD 126 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2003,2010,
&end
#
# 125 Y2P HA 128 GLN QB 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=1997, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2053,2054,
&end
#
# 126 VAL HN 129 PRO HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=2019,2076, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 126 VAL HA 128 GLN HA 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=2021,2051, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
&end
#
# 126 VAL HB 127 ASN HD21 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=2023,2044, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
&end
#
# 126 VAL QQG 127 ASN HD21 1.80 6.30
&rst
ixpk= 0, nxpk= 0, iat=2022,2044, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 126 VAL HB 127 ASN HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=2023,2035, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 126 VAL HA 127 ASN HD21 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=2021,2044, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 126 VAL HA 127 ASN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=2021,2035, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 127 ASN QD2 127 ASN HB2 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2044,2045,
&end
#
# 127 ASN QD2 127 ASN HB3 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2040, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2044,2045,
&end
#
# 127 ASN HB3 128 GLN HE21 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=2040,2061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 128 GLN HE21 128 GLN QB 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2053,2054,
&end
#
# 128 GLN HE21 128 GLN QG 1.80 5.80
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2056,2057,
&end
#
# 128 GLN HN 130 ASP HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=2049,2082, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 128 GLN HA 129 PRO QD 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=2051, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2067,2068,
&end
#
# 129 PRO HA 130 ASP HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=2076,2080, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
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