NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492162 |
2k3y   |
cing | 1-original | 4 | AMBER | distance | NOE | simple |
# 2 VAL H 2 VAL HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 21, 23, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 2 VAL H 2 VAL QQG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 27, 28, 29, 31, 32, 33,
&end
#
# 2 VAL HA 3 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 23, 37, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 VAL HB 3 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 37, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 VAL QQG 3 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 27, 28, 29, 31, 32, 33,
&end
#
# 2 VAL QQG 5 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 68, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 27, 28, 29, 31, 32, 33,
&end
#
# 2 VAL QQG 5 GLU QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 27, 28, 29, 31, 32, 33,
igr2= 72, 73,
&end
#
# 2 VAL H 3 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 21, 37, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 2 VAL H 3 ASP HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 21, 39, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 2 VAL HA 3 ASP HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 23, 39, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 2 VAL QQG 3 ASP HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 27, 28, 29, 31, 32, 33,
&end
#
# 3 ASP HA 3 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 37, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 ASP HB2 3 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 41, 37, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 3 ASP HB3 3 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 42, 37, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 3 ASP QB 3 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 41, 42,
&end
#
# 3 ASP HA 4 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 49, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 ASP QB 4 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 41, 42,
&end
#
# 3 ASP HA 5 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 68, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 3 ASP HA 4 LEU QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 53, 54,
&end
#
# 3 ASP QB 5 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 68, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 41, 42,
&end
#
# 3 ASP HA 6 GLN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 83, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 3 ASP HA 4 LEU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 51, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 4 LEU H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 51, 49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LEU QB 4 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 53, 54,
&end
#
# 4 LEU HG 4 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 56, 49, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 5 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 68, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 LEU QB 5 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 53, 54,
&end
#
# 4 LEU HG 5 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 56, 68, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 6 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 83, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 7 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 100, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 7 GLU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 104, 105,
&end
#
# 4 LEU HA 7 GLU HG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 107, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 7 GLU HG3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 108, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 4 LEU H 6 GLN QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 90, 91,
&end
#
# 4 LEU QQD 7 GLU HG3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 58, 59, 60, 62, 63, 64,
&end
#
# 4 LEU H 5 GLU H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 49, 68, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LEU H 5 GLU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, 70, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 4 LEU H 6 GLN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, 83, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 5 GLU HA 5 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 70, 68, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 GLU HA 6 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 70, 83, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 GLU QB 6 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 72, 73,
&end
#
# 5 GLU QG 6 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 75, 76,
&end
#
# 5 GLU H 6 GLN H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 68, 83, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 GLU H 7 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 68, 100, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 5 GLU HA 7 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 70, 100, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 6 GLN H 6 GLN HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 85, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 GLN H 6 GLN QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 90, 91,
&end
#
# 6 GLN HA 6 GLN QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 90, 91,
&end
#
# 6 GLN HA 7 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 85, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 GLN QB 7 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 87, 88,
&end
#
# 6 GLN QG 7 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 90, 91,
&end
#
# 6 GLN QG 101 ASN QD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 90, 91,
igr2=1609,1610,
&end
#
# 6 GLN QB 7 GLU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 102, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 87, 88,
&end
#
# 6 GLN H 7 GLU H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 83, 100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLN H 7 GLU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 102, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 6 GLN H 7 GLU QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 107, 108,
&end
#
# 6 GLN QG 8 PHE H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 90, 91,
&end
#
# 6 GLN QG 102 GLU H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 90, 91,
&end
#
# 6 GLN QG 104 ASN QD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 90, 91,
igr2=1653,1654,
&end
#
# 6 GLN H 100 TYR QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1583,1584,
&end
#
# 6 GLN QB 99 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 87, 88,
igr2=1573,1574,1575,
&end
#
# 6 GLN HA 99 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1573,1574,1575,
&end
#
# 7 GLU H 7 GLU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 100, 102, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 GLU H 7 GLU QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 104, 105,
&end
#
# 7 GLU H 7 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 107, 108,
&end
#
# 7 GLU H 8 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 100, 115, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 7 GLU H 8 PHE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 100, 117, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 7 GLU HA 8 PHE H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 102, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 GLU QB 8 PHE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 104, 105,
&end
#
# 7 GLU QG 8 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 107, 108,
&end
#
# 7 GLU QB 9 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 104, 105,
igr2= 139, 140, 141,
&end
#
# 7 GLU QB 9 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 104, 105,
&end
#
# 7 GLU H 8 PHE QD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 123, 131,
&end
#
# 7 GLU H 101 ASN QD2 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1609,1610,
&end
#
# 7 GLU QB 99 ALA H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 104, 105,
&end
#
# 7 GLU HG2 99 ALA QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1573,1574,1575,
&end
#
# 7 GLU HG3 99 ALA QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1573,1574,1575,
&end
#
# 7 GLU QG 8 PHE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 107, 108,
igr2= 123, 131,
&end
#
# 7 GLU HA 99 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1573,1574,1575,
&end
#
# 7 GLU QG 9 ALA HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 107, 108,
&end
#
# 7 GLU HA 8 PHE QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 119, 120,
&end
#
# 7 GLU HA 94 TYR QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1479,1484,
&end
#
# 7 GLU HA 94 TYR HH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 102,1482, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 7 GLU QB 99 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 104, 105,
igr2=1573,1574,1575,
&end
#
# 7 GLU HA 99 ALA H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 102,1569, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 7 GLU QB 94 TYR HH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 104, 105,
&end
#
# 8 PHE H 8 PHE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 PHE H 8 PHE QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 119, 120,
&end
#
# 8 PHE H 8 PHE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 123, 131,
&end
#
# 8 PHE HA 9 ALA H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 8 PHE H 9 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 135, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 8 PHE QB 9 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 119, 120,
&end
#
# 8 PHE QD 9 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 123, 131,
&end
#
# 8 PHE HA 27 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 422, 423, 424,
&end
#
# 8 PHE HB2 27 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 422, 423, 424,
&end
#
# 8 PHE HB3 27 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 422, 423, 424,
&end
#
# 8 PHE QD 27 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 123, 131,
igr2= 422, 423, 424,
&end
#
# 8 PHE QD 9 ALA QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 123, 131,
igr2= 139, 140, 141,
&end
#
# 8 PHE H 27 ILE QG2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 415, 416, 417,
&end
#
# 8 PHE QD 100 TYR H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 123, 131,
&end
#
# 8 PHE QB 12 GLY H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 119, 120,
&end
#
# 8 PHE H 94 TYR QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1479,1484,
&end
#
# 8 PHE HA 12 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 171, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HA 9 ALA HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 137, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 8 PHE HA 9 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 139, 140, 141,
&end
#
# 8 PHE HA 12 GLY QA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 173, 174,
&end
#
# 8 PHE HA 99 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1569, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 8 PHE HA 99 ALA HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1571, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 PHE HA 14 VAL HA 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 204, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50, &end
#
# 8 PHE HA 94 TYR HH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1482, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HA 100 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1579, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 8 PHE QB 94 TYR HE1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 94 TYR HE2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 94 TYR HH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 99 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1571, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 99 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 119, 120,
igr2=1573,1574,1575,
&end
#
# 8 PHE H 94 TYR QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1479,1484,
&end
#
# 8 PHE H 94 TYR HH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115,1482, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 8 PHE H 99 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115,1571, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HA 99 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1569, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 8 PHE HA 99 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1573,1574,1575,
&end
#
# 8 PHE H 99 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1573,1574,1575,
&end
#
# 8 PHE QD 97 ILE QG2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 123, 131,
igr2=1532,1533,1534,
&end
#
# 8 PHE QD 97 ILE QG2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 123, 131,
igr2=1532,1533,1534,
&end
#
# 8 PHE QD 14 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 123, 131,
igr2= 208, 209, 210, 212, 213, 214,
&end
#
# 8 PHE QD 99 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1571, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 123, 131,
&end
#
# 8 PHE QD 99 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 123, 131,
igr2=1573,1574,1575,
&end
#
# 9 ALA H 9 ALA HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ALA H 9 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 139, 140, 141,
&end
#
# 9 ALA H 10 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 145, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 9 ALA HA 10 LEU H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 145, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 ALA QB 10 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA QB 11 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA HA 12 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 171, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 9 ALA QB 12 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA H 13 ARG H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 178, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA QB 12 GLY HA2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 173, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA QB 12 GLY HA3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA H 27 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 422, 423, 424,
&end
#
# 9 ALA QB 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 139, 140, 141,
igr2= 422, 423, 424,
&end
#
# 9 ALA QB 99 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
igr2=1573,1574,1575,
&end
#
# 9 ALA H 99 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1573,1574,1575,
&end
#
# 9 ALA H 98 ARG HA 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 135,1547, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 9 ALA H 10 LEU QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 149, 150,
&end
#
# 9 ALA H 12 GLY HA2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 173, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 12 GLY HA3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 174, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 13 ARG H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 178, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 11 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 164, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 12 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ALA H 12 GLY HA2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 173, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 12 GLY HA3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 174, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 12 GLY QA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 173, 174,
&end
#
# 9 ALA H 27 ILE HB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 413, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 27 ILE QG1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 419, 420,
&end
#
# 9 ALA H 100 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135,1579, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 9 ALA H 99 ALA HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135,1571, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 9 ALA HA 11 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 164, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 9 ALA HA 12 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 171, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 9 ALA HA 12 GLY QA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 173, 174,
&end
#
# 9 ALA HA 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 422, 423, 424,
&end
#
# 9 ALA QB 11 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA QB 12 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 10 LEU H 10 LEU HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 147, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 LEU H 10 LEU HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 LEU H 10 LEU HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 150, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 LEU H 10 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU HA 10 LEU QQD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QB 10 LEU QQD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 149, 150,
igr2= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU HA 12 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 LEU HA 11 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 LEU QB 11 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 149, 150,
&end
#
# 10 LEU QQD 11 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 40 SER HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 41 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QB 12 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 149, 150,
&end
#
# 10 LEU QQD 12 GLY H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 30 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 41 ILE HB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 39 THR HB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU HA 27 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 415, 416, 417,
&end
#
# 10 LEU QB 41 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 149, 150,
igr2= 651, 652, 653,
&end
#
# 10 LEU QB 13 ARG H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 149, 150,
&end
#
# 10 LEU QB 43 ASN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 149, 150,
igr2= 682, 683,
&end
#
# 11 GLY H 11 GLY QA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 166, 167,
&end
#
# 11 GLY QA 12 GLY H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 166, 167,
&end
#
# 11 GLY H 12 GLY H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 GLY H 27 ILE HB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 164, 413, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 11 GLY H 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 422, 423, 424,
&end
#
# 11 GLY H 99 ALA QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1573,1574,1575,
&end
#
# 11 GLY H 26 LYS QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 394, 395,
&end
#
# 11 GLY H 41 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 658, 659, 660,
&end
#
# 11 GLY H 41 ILE QG2 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2= 651, 652, 653,
&end
#
# 11 GLY QA 41 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 166, 167,
igr2= 658, 659, 660,
&end
#
# 11 GLY QA 26 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 166, 167,
igr2= 400, 401,
&end
#
# 11 GLY QA 27 ILE HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 166, 167,
&end
#
# 11 GLY QA 27 ILE QG1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 166, 167,
igr2= 419, 420,
&end
#
# 11 GLY QA 13 ARG H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 166, 167,
&end
#
# 11 GLY QA 27 ILE H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 166, 167,
&end
#
# 12 GLY H 12 GLY QA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 173, 174,
&end
#
# 12 GLY H 13 ARG H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 178, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 GLY HA2 13 ARG H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 173, 178, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 GLY HA3 13 ARG H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 178, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 GLY H 99 ALA QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1573,1574,1575,
&end
#
# 12 GLY H 100 TYR QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1583,1584,
&end
#
# 12 GLY H 14 VAL H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 202, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50, &end
#
# 12 GLY H 27 ILE HB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 413, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 12 GLY H 27 ILE QG1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 419, 420,
&end
#
# 12 GLY H 27 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 415, 416, 417,
&end
#
# 12 GLY H 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 422, 423, 424,
&end
#
# 12 GLY QA 27 ILE HB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 173, 174,
&end
#
# 12 GLY H 13 ARG HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 180, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 12 GLY QA 13 ARG HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 173, 174,
&end
#
# 12 GLY QA 13 ARG QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 173, 174,
igr2= 182, 183,
&end
#
# 12 GLY QA 100 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 173, 174,
&end
#
# 12 GLY HA2 100 TYR QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1583,1584,
&end
#
# 12 GLY HA3 100 TYR QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1583,1584,
&end
#
# 12 GLY QA 14 VAL H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 173, 174,
&end
#
# 12 GLY QA 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 173, 174,
igr2= 422, 423, 424,
&end
#
# 12 GLY QA 99 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1571, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 173, 174,
&end
#
# 12 GLY QA 100 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 173, 174,
&end
#
# 12 GLY H 26 LYS HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 389, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 13 ARG H 13 ARG HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 ARG H 13 ARG QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 182, 183,
&end
#
# 13 ARG H 13 ARG QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 185, 186,
&end
#
# 13 ARG H 13 ARG HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 188, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 13 ARG HD3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 189, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 14 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 202, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 13 ARG HA 14 VAL H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 202, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 ARG QG 14 VAL H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 185, 186,
&end
#
# 13 ARG HD2 14 VAL H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 188, 202, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 13 ARG HD3 14 VAL H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 189, 202, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 13 ARG QD 14 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 188, 189,
&end
#
# 13 ARG HA 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 422, 423, 424,
&end
#
# 13 ARG H 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 422, 423, 424,
&end
#
# 13 ARG HD2 100 TYR QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1587,1596,
&end
#
# 13 ARG HD3 100 TYR QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1587,1596,
&end
#
# 13 ARG QD 100 TYR QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 188, 189,
igr2=1589,1594,
&end
#
# 13 ARG HA 26 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 ARG HA 27 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 409, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 13 ARG HA 27 ILE HB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 413, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 13 ARG HA 27 ILE QG1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 419, 420,
&end
#
# 13 ARG QB 27 ILE H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 182, 183,
&end
#
# 13 ARG H 99 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 178,1571, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 13 ARG H 100 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178,1579, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 100 TYR HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 178,1581, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 13 ARG H 100 TYR QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1583,1584,
&end
#
# 13 ARG H 100 TYR QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1587,1596,
&end
#
# 13 ARG QG 26 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 185, 186,
&end
#
# 13 ARG QG 26 LYS QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 185, 186,
igr2= 394, 395,
&end
#
# 13 ARG QD 82 GLN QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 188, 189,
igr2=1286,1287,
&end
#
# 13 ARG HA 25 ALA H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 377, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 13 ARG QB 100 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 182, 183,
&end
#
# 13 ARG QB 100 TYR HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 182, 183,
&end
#
# 13 ARG QD 100 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 188, 189,
&end
#
# 13 ARG QB 15 LEU QQD 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= 182, 183,
igr2= 227, 228, 229, 231, 232, 233,
&end
#
# 13 ARG HD2 100 TYR QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1589,1594,
&end
#
# 13 ARG HD3 100 TYR QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1589,1594,
&end
#
# 13 ARG QD 24 GLU QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 188, 189,
igr2= 369, 370,
&end
#
# 14 VAL H 14 VAL HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 204, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 VAL H 14 VAL HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 206, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 VAL HA 15 LEU H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 VAL H 15 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 218, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 14 VAL HB 15 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 VAL H 24 GLU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 364, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 14 VAL H 25 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 377, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 VAL H 25 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 381, 382, 383,
&end
#
# 14 VAL H 26 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 VAL H 27 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 409, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 14 VAL HA 27 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 422, 423, 424,
&end
#
# 14 VAL HB 27 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 422, 423, 424,
&end
#
# 14 VAL H 25 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 381, 382, 383,
&end
#
# 14 VAL H 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 422, 423, 424,
&end
#
# 14 VAL H 27 ILE QG2 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50,
igr2= 415, 416, 417,
&end
#
# 14 VAL HA 27 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 422, 423, 424,
&end
#
# 14 VAL QQG 97 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 208, 209, 210, 212, 213, 214,
igr2=1539,1540,1541,
&end
#
# 14 VAL HB 97 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1539,1540,1541,
&end
#
# 14 VAL HB 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1532,1533,1534,
&end
#
# 14 VAL HA 100 TYR H 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 204,1579, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50, &end
#
# 14 VAL QQG 100 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 208, 209, 210, 212, 213, 214,
&end
#
# 14 VAL QQG 25 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 208, 209, 210, 212, 213, 214,
&end
#
# 14 VAL QQG 25 ALA HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 208, 209, 210, 212, 213, 214,
&end
#
# 14 VAL QQG 26 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 208, 209, 210, 212, 213, 214,
&end
#
# 14 VAL QQG 27 ILE H 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 208, 209, 210, 212, 213, 214,
&end
#
# 14 VAL H 97 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1539,1540,1541,
&end
#
# 15 LEU HA 15 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 LEU HB2 15 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 222, 218, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 15 LEU HB3 15 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 218, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 15 LEU QQD 15 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU HA 16 ALA H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 LEU QB 16 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 222, 223,
&end
#
# 15 LEU HG 16 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, 237, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 15 LEU QQD 16 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU H 16 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 237, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 15 LEU HA 24 GLU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 LEU HA 25 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 377, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 15 LEU H 25 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 381, 382, 383,
&end
#
# 15 LEU HA 25 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 381, 382, 383,
&end
#
# 15 LEU QQD 25 ALA HA 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 105 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1671,1672,1673,
&end
#
# 15 LEU QQD 24 GLU HG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 24 GLU HG3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 24 GLU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 108 LYS HE2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 108 LYS HE3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 108 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1717,1718,
&end
#
# 15 LEU QQD 100 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 104 ASN QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1648,1649,
&end
#
# 15 LEU QQD 104 ASN QD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1653,1654,
&end
#
# 15 LEU QQD 100 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1587,1596,
&end
#
# 15 LEU QQD 100 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1589,1594,
&end
#
# 15 LEU QQD 22 MET HG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 22 MET HG3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 22 MET QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2= 335, 336, 337,
&end
#
# 15 LEU QQD 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1698,1699,1700,
&end
#
# 15 LEU HG 104 ASN QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1653,1654,
&end
#
# 15 LEU QQD 104 ASN QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1653,1654,
&end
#
# 15 LEU H 97 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218,1528, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 15 LEU H 97 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1536,1537,
&end
#
# 15 LEU H 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1539,1540,1541,
&end
#
# 15 LEU H 98 ARG H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 218,1545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 LEU H 99 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218,1569, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 15 LEU H 99 ALA HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218,1571, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 15 LEU HG 22 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 335, 336, 337,
&end
#
# 15 LEU HG 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1698,1699,1700,
&end
#
# 15 LEU H 100 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 218,1579, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 15 LEU H 100 TYR QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1583,1584,
&end
#
# 15 LEU QB 23 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 222, 223,
&end
#
# 15 LEU H 22 MET QG 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 331, 332,
&end
#
# 15 LEU QQD 22 MET QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2= 331, 332,
&end
#
# 15 LEU H 79 ILE HB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 218,1226, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 15 LEU HG 105 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1671,1672,1673,
&end
#
# 15 LEU QQD 104 ASN HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1646, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 104 ASN H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 105 ILE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 24 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2= 369, 370,
&end
#
# 15 LEU QQD 15 LEU HG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 101 ASN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QQD 100 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
igr2=1587,1596,
&end
#
# 15 LEU QQD 100 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 15 LEU QB 26 LYS HA 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 222, 223,
&end
#
# 15 LEU QQD 105 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229, 231, 232, 233,
&end
#
# 16 ALA H 16 ALA HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 ALA H 16 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 241, 242, 243,
&end
#
# 16 ALA H 17 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, 247, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 16 ALA HA 17 PHE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 239, 247, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 ALA HA 17 PHE QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 251, 252,
&end
#
# 16 ALA H 25 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, 377, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 16 ALA H 24 GLU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, 364, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 16 ALA H 23 TYR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 237, 341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 ALA HA 23 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 239, 341, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 16 ALA H 23 TYR QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 345, 346,
&end
#
# 16 ALA HA 98 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 239,1545, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 16 ALA HA 97 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 239,1526, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 16 ALA HA 97 ILE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 239,1528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 ALA HA 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1532,1533,1534,
&end
#
# 16 ALA QB 97 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1528, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 241, 242, 243,
&end
#
# 16 ALA QB 97 ILE HB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 241, 242, 243,
&end
#
# 16 ALA QB 97 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 241, 242, 243,
igr2=1536,1537,
&end
#
# 16 ALA QB 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 241, 242, 243,
igr2=1532,1533,1534,
&end
#
# 16 ALA QB 97 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 241, 242, 243,
igr2=1539,1540,1541,
&end
#
# 16 ALA QB 25 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 241, 242, 243,
igr2= 381, 382, 383,
&end
#
# 16 ALA QB 81 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 241, 242, 243,
igr2=1266,1275,
&end
#
# 16 ALA QB 81 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 241, 242, 243,
igr2=1268,1273,
&end
#
# 16 ALA QB 81 TYR HH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 241, 242, 243,
&end
#
# 16 ALA H 25 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 381, 382, 383,
&end
#
# 16 ALA HA 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1698,1699,1700,
&end
#
# 16 ALA H 22 MET QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 331, 332,
&end
#
# 16 ALA H 81 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1268,1273,
&end
#
# 16 ALA H 81 TYR HH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 237,1271, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 16 ALA QB 79 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 241, 242, 243,
igr2=1235,1236,1237,
&end
#
# 16 ALA QB 98 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 241, 242, 243,
&end
#
# 16 ALA H 24 GLU QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 366, 367,
&end
#
# 16 ALA H 24 GLU QG 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 369, 370,
&end
#
# 16 ALA H 81 TYR QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1266,1275,
&end
#
# 16 ALA H 17 PHE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 255, 263,
&end
#
# 16 ALA QB 92 VAL H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 241, 242, 243,
&end
#
# 16 ALA HA 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1532,1533,1534,
&end
#
# 16 ALA QB 18 HIE HD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 241, 242, 243,
&end
#
# 16 ALA HA 18 HIE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 239, 267, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 16 ALA H 97 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1539,1540,1541,
&end
#
# 17 PHE H 17 PHE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 247, 249, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 PHE H 17 PHE HB2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 247, 251, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 PHE H 17 PHE HB3 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 PHE H 17 PHE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 255, 263,
&end
#
# 17 PHE QB 17 PHE QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 251, 252,
igr2= 255, 263,
&end
#
# 17 PHE HA 21 LEU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 305, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 17 PHE HA 22 MET HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 326, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 PHE HA 23 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 341, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE HA 18 HIE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 PHE HA 19 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 284, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 18 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 247, 267, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE QD 18 HIE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 255, 263,
&end
#
# 17 PHE QE 18 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 257, 261,
&end
#
# 17 PHE HB2 18 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 251, 267, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE HB3 18 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 252, 267, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE QD 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 255, 263,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 17 PHE QE 111 LEU QD1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 257, 261,
igr2=1781,1782,1783,
&end
#
# 17 PHE QE 111 LEU QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 257, 261,
igr2=1785,1786,1787,
&end
#
# 17 PHE QE 111 LEU QQD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 257, 261,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 17 PHE QD 22 MET H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 255, 263,
&end
#
# 17 PHE QD 22 MET HG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 255, 263,
&end
#
# 17 PHE QD 22 MET HG3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 255, 263,
&end
#
# 17 PHE QD 22 MET QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 255, 263,
igr2= 331, 332,
&end
#
# 17 PHE HZ 111 LEU QQD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 17 PHE HZ 111 LEU QD1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1781,1782,1783,
&end
#
# 17 PHE HZ 111 LEU QD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1785,1786,1787,
&end
#
# 17 PHE QE 22 MET H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 257, 261,
&end
#
# 17 PHE H 96 ARG HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 247,1504, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 96 ARG QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1506,1507,
&end
#
# 17 PHE H 97 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 247,1528, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 98 ARG H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 247,1545, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 17 PHE H 24 GLU H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 247, 362, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 17 PHE QB 19 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 284, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 251, 252,
&end
#
# 17 PHE HA 23 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 341, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE HD1 107 MET QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1691,1692,
&end
#
# 17 PHE HD2 107 MET QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1691,1692,
&end
#
# 17 PHE HD1 107 MET QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1694,1695,
&end
#
# 17 PHE HD2 107 MET QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1694,1695,
&end
#
# 17 PHE QD 107 MET QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 255, 263,
igr2=1698,1699,1700,
&end
#
# 17 PHE HE1 107 MET QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1691,1692,
&end
#
# 17 PHE HE2 107 MET QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1691,1692,
&end
#
# 17 PHE QE 107 MET QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 257, 261,
igr2=1694,1695,
&end
#
# 17 PHE QE 107 MET QE 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 257, 261,
igr2=1698,1699,1700,
&end
#
# 17 PHE HZ 107 MET QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1694,1695,
&end
#
# 17 PHE HZ 111 LEU QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1776,1777,
&end
#
# 17 PHE QB 96 ARG QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 251, 252,
igr2=1506,1507,
&end
#
# 17 PHE QB 96 ARG QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 251, 252,
igr2=1509,1510,
&end
#
# 17 PHE QB 97 ILE H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 251, 252,
&end
#
# 17 PHE QB 97 ILE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1528, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 251, 252,
&end
#
# 17 PHE QB 97 ILE HB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 251, 252,
&end
#
# 17 PHE QB 97 ILE QG1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 251, 252,
igr2=1536,1537,
&end
#
# 17 PHE QB 107 MET QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 251, 252,
igr2=1691,1692,
&end
#
# 17 PHE QB 107 MET QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 251, 252,
igr2=1694,1695,
&end
#
# 17 PHE QB 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 251, 252,
igr2=1698,1699,1700,
&end
#
# 17 PHE QB 111 LEU QQD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 251, 252,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 17 PHE HA 107 MET QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1698,1699,1700,
&end
#
# 17 PHE HZ 20 PRO HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 301, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 17 PHE HA 107 MET HG2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 249,1694, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 17 PHE HA 107 MET HG3 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 249,1695, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 17 PHE QD 107 MET HG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 255, 263,
&end
#
# 17 PHE QD 107 MET HG3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1695, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 255, 263,
&end
#
# 17 PHE QE 107 MET QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 257, 261,
igr2=1694,1695,
&end
#
# 17 PHE HZ 107 MET QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1694,1695,
&end
#
# 17 PHE H 107 MET QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1694,1695,
&end
#
# 17 PHE HA 18 HIE QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 271, 272,
&end
#
# 18 HIE H 18 HIE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 HIE H 18 HIE HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 HIE H 18 HIE HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 HIE HA 19 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 269, 284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 HIE QB 19 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 271, 272,
&end
#
# 18 HIE H 19 GLY H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 267, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 HIE H 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 18 HIE H 22 MET HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 326, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 HIE H 22 MET H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 324, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 18 HIE H 23 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 267, 341, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 18 HIE QB 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 271, 272,
&end
#
# 18 HIE HD2 81 TYR HH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 280,1271, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 18 HIE HE1 81 TYR HD1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276,1266, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 18 HIE HE1 81 TYR HD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276,1275, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 18 HIE HE1 81 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1268,1273,
&end
#
# 18 HIE HE1 81 TYR HH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276,1271, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 18 HIE HD2 96 ARG HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 280,1504, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 18 HIE HD2 96 ARG QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1506,1507,
&end
#
# 18 HIE HD2 96 ARG QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1509,1510,
&end
#
# 18 HIE HD2 81 TYR QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1266,1275,
&end
#
# 18 HIE QB 128 DMC QQH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 271, 272,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 18 HIE QB 96 ARG QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 271, 272,
igr2=1512,1513,
&end
#
# 18 HIE H 20 PRO QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 295, 296,
&end
#
# 18 HIE HD2 96 ARG QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1512,1513,
&end
#
# 18 HIE HD2 128 DMC QE 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1979,1980,
&end
#
# 18 HIE HD2 128 DMC QQH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 18 HIE HE1 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 18 HIE HE1 128 DMC QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1979,1980,
&end
#
# 18 HIE QB 128 DMC QQH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 271, 272,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 18 HIE HD2 19 GLY QA 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 286, 287,
&end
#
# 18 HIE HE1 23 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 349, 358,
&end
#
# 18 HIE HE1 96 ARG QH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1518,1519,1521,1522,
&end
#
# 18 HIE QB 23 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 271, 272,
igr2= 349, 358,
&end
#
# 18 HIE QB 23 TYR QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 271, 272,
igr2= 351, 356,
&end
#
# 18 HIE HA 23 TYR QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 351, 356,
&end
#
# 18 HIE HE1 128 DMC QB 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50,
igr2=1972,1973,
&end
#
# 19 GLY H 19 GLY QA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 286, 287,
&end
#
# 19 GLY QA 20 PRO HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 286, 287,
&end
#
# 19 GLY QA 20 PRO HD3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 286, 287,
&end
#
# 19 GLY QA 20 PRO QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 286, 287,
igr2= 292, 293,
&end
#
# 19 GLY H 20 PRO HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 284, 292, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 19 GLY H 20 PRO HD3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 284, 293, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 19 GLY QA 20 PRO HG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 286, 287,
&end
#
# 19 GLY QA 20 PRO HG3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 296, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 286, 287,
&end
#
# 19 GLY HA2 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 286, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 19 GLY HA3 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 287, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 19 GLY H 22 MET H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 284, 324, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 19 GLY H 22 MET HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 284, 326, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 20 PRO HA 21 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 PRO HB2 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 298, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 20 PRO HB3 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 299, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 20 PRO QB 21 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 298, 299,
&end
#
# 20 PRO QG 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 295, 296,
&end
#
# 20 PRO HD2 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 20 PRO HD3 21 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 293, 305, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 20 PRO QD 21 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 292, 293,
&end
#
# 20 PRO QB 21 LEU HG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 312, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 298, 299,
&end
#
# 20 PRO QB 21 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 298, 299,
igr2= 314, 315, 316, 318, 319, 320,
&end
#
# 20 PRO HA 21 LEU QQD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 314, 315, 316, 318, 319, 320,
&end
#
# 20 PRO HA 111 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 21 LEU H 21 LEU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 LEU H 21 LEU QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 309, 310,
&end
#
# 21 LEU H 21 LEU HG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 312, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 21 LEU H 21 LEU QD1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 314, 315, 316,
&end
#
# 21 LEU H 21 LEU QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 318, 319, 320,
&end
#
# 21 LEU H 22 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 324, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 21 LEU HA 22 MET H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 LEU QQD 22 MET H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 314, 315, 316, 318, 319, 320,
&end
#
# 21 LEU QD1 112 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1793, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 112 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1793, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 318, 319, 320,
&end
#
# 21 LEU QQD 112 ALA HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1793, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 314, 315, 316, 318, 319, 320,
&end
#
# 21 LEU QQD 112 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 314, 315, 316, 318, 319, 320,
igr2=1795,1796,1797,
&end
#
# 21 LEU QQD 112 ALA H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 314, 315, 316, 318, 319, 320,
&end
#
# 21 LEU QB 22 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 309, 310,
&end
#
# 21 LEU HA 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 21 LEU QQD 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 314, 315, 316, 318, 319, 320,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 21 LEU QQD 111 LEU HG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 314, 315, 316, 318, 319, 320,
&end
#
# 21 LEU HA 111 LEU QD1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1781,1782,1783,
&end
#
# 21 LEU HA 111 LEU QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1785,1786,1787,
&end
#
# 21 LEU H 23 TYR HE1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 351, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 21 LEU H 23 TYR HE2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 356, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 21 LEU QB 23 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 309, 310,
igr2= 351, 356,
&end
#
# 21 LEU QD1 23 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 314, 315, 316,
igr2= 351, 356,
&end
#
# 21 LEU QD2 23 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 318, 319, 320,
igr2= 351, 356,
&end
#
# 21 LEU QQD 111 LEU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 314, 315, 316, 318, 319, 320,
igr2=1776,1777,
&end
#
# 21 LEU HA 111 LEU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1776,1777,
&end
#
# 21 LEU HG 111 LEU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1776,1777,
&end
#
# 21 LEU HG 111 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 21 LEU QQD 115 ALA H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 314, 315, 316, 318, 319, 320,
&end
#
# 21 LEU QQD 116 GLY H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1840, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 314, 315, 316, 318, 319, 320,
&end
#
# 21 LEU QQD 115 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 314, 315, 316, 318, 319, 320,
igr2=1834,1835,1836,
&end
#
# 21 LEU QQD 113 ASN H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1801, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 314, 315, 316, 318, 319, 320,
&end
#
# 21 LEU QQD 109 LYS HA 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50,
igr1= 314, 315, 316, 318, 319, 320,
&end
#
# 21 LEU HA 23 TYR HE1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 307, 351, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 21 LEU HA 23 TYR HE2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 307, 356, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 21 LEU QQD 126 GLY QA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 314, 315, 316, 318, 319, 320,
igr2=1947,1948,
&end
#
# 21 LEU QQD 127 VAL QQG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 314, 315, 316, 318, 319, 320,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 22 MET H 23 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 324, 341, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 22 MET HG2 23 TYR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 MET HG3 23 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 332, 341, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 22 MET QE 23 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 335, 336, 337,
&end
#
# 22 MET HA 22 MET H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 326, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 MET QB 22 MET H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 328, 329,
&end
#
# 22 MET HA 23 TYR H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 326, 341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 MET QG 23 TYR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 331, 332,
&end
#
# 22 MET QB 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 328, 329,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 22 MET HG2 111 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 22 MET HG3 111 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 22 MET QG 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 331, 332,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 22 MET QG 23 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 331, 332,
&end
#
# 22 MET QE 23 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 335, 336, 337,
&end
#
# 22 MET H 111 LEU QD1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1781,1782,1783,
&end
#
# 22 MET H 111 LEU QD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1785,1786,1787,
&end
#
# 22 MET H 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 22 MET QE 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 335, 336, 337,
igr2=1698,1699,1700,
&end
#
# 22 MET QG 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 331, 332,
igr2=1698,1699,1700,
&end
#
# 22 MET QE 108 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 335, 336, 337,
igr2=1717,1718,
&end
#
# 22 MET QE 108 LYS QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 335, 336, 337,
igr2=1714,1715,
&end
#
# 22 MET QE 108 LYS QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 335, 336, 337,
igr2=1711,1712,
&end
#
# 22 MET H 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 22 MET QB 108 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 328, 329,
&end
#
# 22 MET QG 108 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 331, 332,
&end
#
# 22 MET QB 107 MET QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 328, 329,
igr2=1694,1695,
&end
#
# 22 MET H 108 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 324,1706, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 22 MET H 108 LYS QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1711,1712,
&end
#
# 22 MET H 111 LEU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1776,1777,
&end
#
# 22 MET HA 107 MET QE 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1698,1699,1700,
&end
#
# 22 MET QB 107 MET HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1689, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 328, 329,
&end
#
# 22 MET QB 107 MET QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 328, 329,
igr2=1698,1699,1700,
&end
#
# 22 MET QG 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 331, 332,
igr2=1698,1699,1700,
&end
#
# 22 MET QG 111 LEU QQD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 331, 332,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 22 MET QE 108 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 335, 336, 337,
igr2=1717,1718,
&end
#
# 22 MET QE 108 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 335, 336, 337,
&end
#
# 22 MET QE 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 335, 336, 337,
igr2=1698,1699,1700,
&end
#
# 22 MET QE 109 LYS H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 335, 336, 337,
&end
#
# 22 MET QE 111 LEU QQD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 335, 336, 337,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 23 TYR H 23 TYR HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TYR H 24 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 341, 362, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HA 24 GLU H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 362, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TYR QB 24 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 345, 346,
&end
#
# 23 TYR QD 24 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 349, 358,
&end
#
# 23 TYR QE 24 GLU H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 351, 356,
&end
#
# 23 TYR QB 82 GLN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 345, 346,
&end
#
# 23 TYR QB 81 TYR H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 345, 346,
&end
#
# 23 TYR QB 81 TYR QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 345, 346,
igr2=1266,1275,
&end
#
# 23 TYR H 107 MET QE 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1698,1699,1700,
&end
#
# 23 TYR HA 108 LYS QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1711,1712,
&end
#
# 23 TYR HD1 84 TRP HD1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1311, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HD2 84 TRP HD1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 358,1311, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HD1 84 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1313, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HD2 84 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 358,1313, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HE1 84 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 351,1313, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HE2 84 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 356,1313, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 23 TYR QD 128 DMC QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 349, 358,
igr2=1979,1980,
&end
#
# 23 TYR QD 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 349, 358,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 23 TYR QD 128 DMC QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 349, 358,
igr2=1976,1977,
&end
#
# 23 TYR QE 128 DMC QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 351, 356,
igr2=1979,1980,
&end
#
# 23 TYR QE 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 351, 356,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 23 TYR HH 127 VAL HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 354,1954, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 23 TYR QD 127 VAL QQG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 349, 358,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 23 TYR QE 127 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 351, 356,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 23 TYR HH 127 VAL QQG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 23 TYR QE 127 VAL HB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1956, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 351, 356,
&end
#
# 24 GLU H 24 GLU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 362, 364, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU H 24 GLU QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 366, 367,
&end
#
# 24 GLU H 24 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 369, 370,
&end
#
# 24 GLU HA 24 GLU QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 369, 370,
&end
#
# 24 GLU HA 25 ALA H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 364, 377, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 GLU HA 25 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 381, 382, 383,
&end
#
# 24 GLU H 25 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 362, 377, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 24 GLU QB 25 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 366, 367,
&end
#
# 24 GLU QG 25 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 369, 370,
&end
#
# 24 GLU H 81 TYR QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1262,1263,
&end
#
# 24 GLU H 81 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1266,1275,
&end
#
# 24 GLU QG 82 GLN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 369, 370,
igr2=1283,1284,
&end
#
# 24 GLU QG 82 GLN QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 369, 370,
igr2=1286,1287,
&end
#
# 24 GLU H 82 GLN QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1286,1287,
&end
#
# 24 GLU HA 79 ILE QG2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1228,1229,1230,
&end
#
# 24 GLU HG2 82 GLN QE2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1291,1292,
&end
#
# 24 GLU HG3 82 GLN QE2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1291,1292,
&end
#
# 24 GLU QG 82 GLN QE2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 369, 370,
igr2=1291,1292,
&end
#
# 24 GLU HA 26 LYS QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 391, 392,
&end
#
# 24 GLU H 82 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 362,1279, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 24 GLU QG 108 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 369, 370,
igr2=1717,1718,
&end
#
# 25 ALA H 25 ALA HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 377, 379, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 ALA H 25 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 381, 382, 383,
&end
#
# 25 ALA H 26 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 377, 387, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 25 ALA HA 26 LYS H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 379, 387, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 ALA H 26 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 377, 389, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 25 ALA QB 26 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 381, 382, 383,
&end
#
# 25 ALA QB 79 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 381, 382, 383,
igr2=1235,1236,1237,
&end
#
# 25 ALA QB 79 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 381, 382, 383,
igr2=1228,1229,1230,
&end
#
# 25 ALA QB 97 ILE QG2 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 381, 382, 383,
igr2=1532,1533,1534,
&end
#
# 25 ALA QB 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 381, 382, 383,
igr2=1539,1540,1541,
&end
#
# 25 ALA QB 81 TYR QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 381, 382, 383,
igr2=1266,1275,
&end
#
# 25 ALA QB 81 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 381, 382, 383,
igr2=1268,1273,
&end
#
# 25 ALA HA 81 TYR HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 379,1260, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 ALA HA 82 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 379,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 ALA QB 82 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 381, 382, 383,
&end
#
# 25 ALA QB 81 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 381, 382, 383,
&end
#
# 25 ALA QB 81 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 381, 382, 383,
igr2=1266,1275,
&end
#
# 25 ALA QB 81 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 381, 382, 383,
igr2=1268,1273,
&end
#
# 25 ALA HA 82 GLN HG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 379,1286, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 25 ALA HA 82 GLN HG3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 379,1287, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 25 ALA HA 79 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1235,1236,1237,
&end
#
# 26 LYS H 26 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 387, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LYS H 26 LYS QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 391, 392,
&end
#
# 26 LYS QB 26 LYS HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 391, 392,
&end
#
# 26 LYS QB 26 LYS QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 391, 392,
igr2= 397, 398,
&end
#
# 26 LYS H 26 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 400, 401,
&end
#
# 26 LYS QB 26 LYS QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 391, 392,
igr2= 400, 401,
&end
#
# 26 LYS QG 26 LYS QE 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 394, 395,
igr2= 400, 401,
&end
#
# 26 LYS HA 26 LYS QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 394, 395,
&end
#
# 26 LYS H 27 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387, 409, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 26 LYS HA 27 ILE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 389, 409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 LYS HA 27 ILE HB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 389, 413, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 26 LYS H 79 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387,1224, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 26 LYS H 79 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 387,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LYS H 80 HIE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 387,1241, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LYS HA 80 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 389,1241, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 26 LYS H 80 HIE HB2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 387,1245, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 26 LYS H 80 HIE HB3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 387,1246, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 26 LYS H 81 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387,1260, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 26 LYS H 82 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387,1279, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 26 LYS QB 80 HIE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 391, 392,
&end
#
# 26 LYS QG 80 HIE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 394, 395,
&end
#
# 26 LYS H 97 ILE QG1 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1536,1537,
&end
#
# 26 LYS HA 97 ILE QG1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1536,1537,
&end
#
# 26 LYS QB 81 TYR H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 391, 392,
&end
#
# 26 LYS HA 81 TYR H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 389,1258, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 26 LYS QB 82 GLN QE2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 391, 392,
igr2=1291,1292,
&end
#
# 26 LYS QG 82 GLN QE2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 394, 395,
igr2=1291,1292,
&end
#
# 26 LYS QD 82 GLN QE2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 397, 398,
igr2=1291,1292,
&end
#
# 26 LYS H 79 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1228,1229,1230,
&end
#
# 26 LYS QB 79 ILE QG1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 391, 392,
igr2=1232,1233,
&end
#
# 26 LYS QG 26 LYS QE 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 394, 395,
igr2= 400, 401,
&end
#
# 26 LYS QE 27 ILE QG2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 400, 401,
igr2= 415, 416, 417,
&end
#
# 26 LYS QE 28 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 400, 401,
igr2= 437, 438, 439, 441, 442, 443,
&end
#
# 26 LYS QE 46 PRO QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 400, 401,
igr2= 727, 728,
&end
#
# 26 LYS H 89 ASP QB 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2=1399,1400,
&end
#
# 26 LYS QE 79 ILE QG1 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 400, 401,
igr2=1232,1233,
&end
#
# 26 LYS H 79 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1235,1236,1237,
&end
#
# 26 LYS QB 80 HIE QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 391, 392,
igr2=1245,1246,
&end
#
# 26 LYS QB 80 HIE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 391, 392,
&end
#
# 27 ILE HA 27 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 411, 409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HB 27 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 413, 409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE QG1 27 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 419, 420,
&end
#
# 27 ILE QG2 27 ILE H 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
&end
#
# 27 ILE QG2 27 ILE HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 415, 416, 417,
&end
#
# 27 ILE QD 27 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 422, 423, 424,
&end
#
# 27 ILE HA 28 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HA 29 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 411, 447, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 27 ILE HA 29 LYS HE2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 411, 460, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 27 ILE HA 29 LYS HE3 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 411, 461, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 27 ILE H 28 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 428, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 27 ILE QG2 28 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 415, 416, 417,
&end
#
# 27 ILE QG2 28 LEU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
&end
#
# 27 ILE QD 97 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 422, 423, 424,
igr2=1539,1540,1541,
&end
#
# 27 ILE QD 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 422, 423, 424,
igr2=1532,1533,1534,
&end
#
# 27 ILE HA 79 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1228,1229,1230,
&end
#
# 27 ILE QD 79 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 422, 423, 424,
igr2=1228,1229,1230,
&end
#
# 27 ILE QG2 79 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
igr2=1228,1229,1230,
&end
#
# 27 ILE QG2 79 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
igr2=1228,1229,1230,
&end
#
# 27 ILE QG2 79 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
igr2=1228,1229,1230,
&end
#
# 27 ILE QG2 77 PHE HB2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
&end
#
# 27 ILE QG2 77 PHE HB3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
&end
#
# 27 ILE HA 79 ILE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 411,1224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HA 80 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 411,1241, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 27 ILE QG2 29 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
&end
#
# 27 ILE QG1 31 TRP H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 419, 420,
&end
#
# 27 ILE QG2 31 TRP H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 415, 416, 417,
&end
#
# 27 ILE QG1 97 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 419, 420,
igr2=1539,1540,1541,
&end
#
# 27 ILE QG1 79 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 419, 420,
igr2=1228,1229,1230,
&end
#
# 27 ILE HA 79 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1228,1229,1230,
&end
#
# 27 ILE QD 80 HIE H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 422, 423, 424,
&end
#
# 27 ILE QD 99 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 422, 423, 424,
igr2=1573,1574,1575,
&end
#
# 27 ILE HB 79 ILE QG1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1232,1233,
&end
#
# 27 ILE QG2 77 PHE QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 415, 416, 417,
igr2=1186,1187,
&end
#
# 27 ILE HA 77 PHE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1190,1198,
&end
#
# 27 ILE QG2 77 PHE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 415, 416, 417,
&end
#
# 28 LEU HA 28 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 LEU HA 28 LEU HG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 LEU QD1 28 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439,
&end
#
# 28 LEU QD2 28 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 441, 442, 443,
&end
#
# 28 LEU HA 29 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 LEU QQD 29 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439, 441, 442, 443,
&end
#
# 28 LEU H 29 LYS H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LEU H 78 PHE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428,1204, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 28 LEU H 79 ILE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428,1224, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 28 LEU H 80 HIE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428,1241, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 28 LEU H 79 ILE QG2 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1228,1229,1230,
&end
#
# 28 LEU QQD 78 PHE QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2=1206,1207,
&end
#
# 28 LEU QQD 78 PHE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2=1210,1218,
&end
#
# 28 LEU QQD 78 PHE QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2=1212,1216,
&end
#
# 28 LEU H 78 PHE QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1206,1207,
&end
#
# 28 LEU H 78 PHE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1210,1218,
&end
#
# 28 LEU QQD 29 LYS QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2= 457, 458,
&end
#
# 28 LEU QQD 29 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2= 460, 461,
&end
#
# 28 LEU QQD 40 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2= 638, 639,
&end
#
# 28 LEU QQD 40 SER HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 437, 438, 439, 441, 442, 443,
&end
#
# 28 LEU HG 40 SER HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 435, 636, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 28 LEU H 78 PHE QE 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1212,1216,
&end
#
# 28 LEU H 79 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1228,1229,1230,
&end
#
# 28 LEU QQD 79 ILE QG2 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2=1228,1229,1230,
&end
#
# 28 LEU HA 41 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 658, 659, 660,
&end
#
# 28 LEU HA 30 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 482, 483, 484,
&end
#
# 28 LEU HA 56 ILE H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 854, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 28 LEU QQD 46 PRO QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2= 733, 734,
&end
#
# 28 LEU QQD 43 ASN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2= 682, 683,
&end
#
# 28 LEU QQD 44 ASP QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 437, 438, 439, 441, 442, 443,
igr2= 696, 697,
&end
#
# 28 LEU QQD 78 PHE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 437, 438, 439, 441, 442, 443,
&end
#
# 29 LYS H 29 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 449, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 LYS H 29 LYS QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 451, 452,
&end
#
# 29 LYS H 29 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 460, 461,
&end
#
# 29 LYS HA 29 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 460, 461,
&end
#
# 29 LYS QB 29 LYS QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 451, 452,
igr2= 460, 461,
&end
#
# 29 LYS H 30 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 469, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 29 LYS HA 30 ILE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 469, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 LYS HA 39 THR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 620, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 29 LYS HA 40 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 634, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 29 LYS HA 40 SER HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 636, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 LYS HA 41 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 645, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 29 LYS HA 40 SER QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 638, 639,
&end
#
# 29 LYS HA 40 SER HB2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 638, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 29 LYS HA 40 SER HB3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 449, 639, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 29 LYS H 77 PHE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 447,1184, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 29 LYS H 78 PHE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 447,1202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 LYS H 78 PHE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447,1204, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 29 LYS H 78 PHE HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 447,1206, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 LYS H 78 PHE HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 447,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 LYS H 78 PHE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1210,1218,
&end
#
# 29 LYS H 78 PHE QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1212,1216,
&end
#
# 29 LYS H 79 ILE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447,1224, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 29 LYS H 79 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1228,1229,1230,
&end
#
# 29 LYS H 79 ILE QD 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2=1235,1236,1237,
&end
#
# 29 LYS QE 38 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 460, 461,
igr2= 607, 616,
&end
#
# 29 LYS QE 38 TYR QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 460, 461,
igr2= 609, 614,
&end
#
# 29 LYS QB 40 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 451, 452,
igr2= 638, 639,
&end
#
# 29 LYS QG 40 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 454, 455,
igr2= 638, 639,
&end
#
# 29 LYS QE 40 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 460, 461,
igr2= 638, 639,
&end
#
# 29 LYS QD 38 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 457, 458,
igr2= 607, 616,
&end
#
# 29 LYS QD 38 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 457, 458,
igr2= 609, 614,
&end
#
# 29 LYS QE 56 ILE QD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 460, 461,
igr2= 867, 868, 869,
&end
#
# 29 LYS QE 38 TYR H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 460, 461,
&end
#
# 29 LYS H 41 ILE HB 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 447, 649, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 29 LYS H 41 ILE QG1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 655, 656,
&end
#
# 29 LYS QE 91 TRP H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 460, 461,
&end
#
# 29 LYS QE 78 PHE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 460, 461,
igr2=1210,1218,
&end
#
# 29 LYS QE 61 LEU QQD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 460, 461,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 29 LYS QE 67 ILE HB 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1031, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 460, 461,
&end
#
# 30 ILE HA 30 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 469, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 ILE HB 30 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 473, 469, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 ILE HA 31 TRP H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 488, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 ILE H 31 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 488, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 30 ILE QG2 31 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 475, 476, 477,
&end
#
# 30 ILE QD 31 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 482, 483, 484,
&end
#
# 30 ILE H 38 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 601, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 30 ILE H 39 THR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 ILE HA 39 THR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 620, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HA 40 SER H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 634, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 30 ILE H 40 SER HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 636, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 30 ILE H 40 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 638, 639,
&end
#
# 30 ILE H 40 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 634, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 30 ILE QD 39 THR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 482, 483, 484,
&end
#
# 30 ILE H 39 THR QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 626, 627, 628,
&end
#
# 30 ILE QG2 77 PHE QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 475, 476, 477,
igr2=1192,1196,
&end
#
# 30 ILE QD 77 PHE QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 482, 483, 484,
igr2=1192,1196,
&end
#
# 30 ILE QG2 77 PHE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 475, 476, 477,
&end
#
# 30 ILE HA 77 PHE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 471,1184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 ILE HA 78 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471,1202, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HA 78 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471,1202, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 30 ILE H 38 TYR QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 607, 616,
&end
#
# 30 ILE QD 39 THR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 482, 483, 484,
&end
#
# 30 ILE QG2 41 ILE QG1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 475, 476, 477,
igr2= 655, 656,
&end
#
# 30 ILE H 61 LEU QB 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2= 952, 953,
&end
#
# 30 ILE HB 77 PHE QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1192,1196,
&end
#
# 30 ILE QD 75 LYS QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 482, 483, 484,
igr2=1159,1160,
&end
#
# 31 TRP HA 31 TRP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 TRP HA 32 ASP H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 512, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 TRP H 32 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 512, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP QB 32 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 492, 493,
&end
#
# 31 TRP H 76 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 488,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 TRP H 76 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1175,1176,
&end
#
# 31 TRP H 77 PHE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488,1184, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP H 77 PHE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488,1182, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 31 TRP H 78 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488,1202, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HA 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HA 38 TYR HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 TRP HA 38 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 599, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 31 TRP HA 39 THR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 620, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP H 39 THR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 620, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 31 TRP HZ2 36 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 501, 562, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HH2 36 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 503, 562, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 72 ILE HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 498,1111, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 TRP HE1 37 MET H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 498, 582, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 31 TRP HE1 72 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1122,1123,1124,
&end
#
# 31 TRP HE1 72 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1119,1120,
&end
#
# 31 TRP HE1 73 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498,1128, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 73 ASN HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498,1130, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 74 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498,1142, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 76 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1175,1176,
&end
#
# 31 TRP HE1 33 PRO HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 498, 534, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 TRP HE1 33 PRO QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 531, 532,
&end
#
# 31 TRP HE1 33 PRO QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 528, 529,
&end
#
# 31 TRP HE1 33 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 525, 526,
&end
#
# 31 TRP HE1 67 ILE QG2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1033,1034,1035,
&end
#
# 31 TRP HE1 67 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1040,1041,1042,
&end
#
# 31 TRP HE1 67 ILE HG12 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 498,1037, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 31 TRP HE1 67 ILE HG13 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 498,1038, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 31 TRP HE1 67 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1040,1041,1042,
&end
#
# 31 TRP HZ2 72 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1115,1116,1117,
&end
#
# 31 TRP HH2 72 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1115,1116,1117,
&end
#
# 31 TRP HZ3 61 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 31 TRP HH2 61 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 31 TRP H 77 PHE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1190,1198,
&end
#
# 31 TRP HE1 38 TYR QD 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2= 607, 616,
&end
#
# 31 TRP QB 75 LYS H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 492, 493,
&end
#
# 31 TRP HE1 34 SER H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 498, 538, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50, &end
#
# 31 TRP HH2 61 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 31 TRP HA 32 ASP QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 516, 517,
&end
#
# 31 TRP HH2 36 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 573, 574,
&end
#
# 31 TRP QB 76 SER QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 492, 493,
igr2=1175,1176,
&end
#
# 32 ASP H 32 ASP HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 514, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 ASP H 32 ASP HB2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 516, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 32 ASP HB3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 517, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 32 ASP QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 516, 517,
&end
#
# 32 ASP H 36 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 560, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP QB 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 516, 517,
&end
#
# 32 ASP H 38 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 601, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 39 THR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 620, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 32 ASP HB2 34 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 516, 538, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 ASP HB3 34 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 517, 538, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP QB 34 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 516, 517,
&end
#
# 32 ASP HA 33 PRO HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 514, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 ASP HA 33 PRO HD3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 514, 526, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 ASP HA 33 PRO QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 525, 526,
&end
#
# 32 ASP HA 34 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 514, 538, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 ASP H 34 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 538, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 76 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 512,1171, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 32 ASP HA 76 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 514,1171, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP QB 35 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 516, 517,
&end
#
# 32 ASP QB 35 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 516, 517,
&end
#
# 32 ASP H 33 PRO QG 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 528, 529,
&end
#
# 32 ASP HA 75 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 514,1149, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 91 TRP QB 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2=1426,1427,
&end
#
# 33 PRO HA 34 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 534, 538, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 33 PRO HB2 34 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 531, 538, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 33 PRO HB3 34 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 532, 538, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 33 PRO QG 34 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 528, 529,
&end
#
# 33 PRO QD 34 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 525, 526,
&end
#
# 33 PRO HA 35 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 534, 549, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 33 PRO HA 36 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 534, 560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 PRO HA 37 MET H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 534, 582, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 33 PRO QG 36 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 528, 529,
&end
#
# 33 PRO QD 75 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 525, 526,
&end
#
# 33 PRO QD 76 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 525, 526,
&end
#
# 33 PRO QB 74 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 531, 532,
&end
#
# 33 PRO HA 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 534, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 33 PRO QB 35 SER QB 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 531, 532,
igr2= 553, 554,
&end
#
# 33 PRO HA 36 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 573, 574,
&end
#
# 33 PRO HA 72 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1115,1116,1117,
&end
#
# 33 PRO QD 73 ASN HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 525, 526,
&end
#
# 34 SER H 34 SER HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 538, 540, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 SER H 34 SER QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 542, 543,
&end
#
# 34 SER H 35 SER H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 538, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 SER H 35 SER HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 538, 551, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 34 SER H 36 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 538, 560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 SER HA 36 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 540, 560, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 34 SER H 36 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 538, 562, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 34 SER HA 35 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 540, 549, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 SER QB 35 SER H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 542, 543,
&end
#
# 34 SER H 35 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 553, 554,
&end
#
# 34 SER QB 35 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 542, 543,
igr2= 553, 554,
&end
#
# 34 SER QB 36 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 542, 543,
&end
#
# 35 SER H 35 SER HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 551, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 SER H 35 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 553, 554,
&end
#
# 35 SER HA 35 SER QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 553, 554,
&end
#
# 35 SER H 36 LYS H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 SER HA 36 LYS H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 551, 560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 SER HA 36 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 551, 562, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 35 SER HA 36 LYS QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 564, 565,
&end
#
# 35 SER HA 36 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 573, 574,
&end
#
# 35 SER QB 36 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 553, 554,
&end
#
# 35 SER H 36 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 562, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 35 SER H 36 LYS QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 564, 565,
&end
#
# 35 SER H 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 549, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 35 SER HA 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 551, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 35 SER HA 37 MET QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 589, 590,
&end
#
# 35 SER HA 37 MET QE 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 593, 594, 595,
&end
#
# 35 SER QB 37 MET QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 553, 554,
igr2= 589, 590,
&end
#
# 35 SER QB 37 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 553, 554,
igr2= 593, 594, 595,
&end
#
# 35 SER QB 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 553, 554,
&end
#
# 35 SER H 72 ILE HA 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 549,1111, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 36 LYS H 36 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 LYS H 36 LYS QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 567, 568,
&end
#
# 36 LYS H 36 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 573, 574,
&end
#
# 36 LYS HA 36 LYS QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 567, 568,
&end
#
# 36 LYS QG 36 LYS QE 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 567, 568,
igr2= 573, 574,
&end
#
# 36 LYS H 37 MET H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 560, 582, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LYS HA 37 MET H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 562, 582, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LYS QB 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 564, 565,
&end
#
# 36 LYS QG 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 567, 568,
&end
#
# 36 LYS QE 37 MET H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 573, 574,
&end
#
# 36 LYS H 75 LYS QD 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2=1159,1160,
&end
#
# 36 LYS QG 72 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 567, 568,
igr2=1115,1116,1117,
&end
#
# 36 LYS QG 72 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 567, 568,
igr2=1122,1123,1124,
&end
#
# 36 LYS QB 61 LEU QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 564, 565,
igr2= 952, 953,
&end
#
# 36 LYS QB 72 ILE QG1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 564, 565,
igr2=1119,1120,
&end
#
# 36 LYS QB 60 LYS QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 564, 565,
igr2= 933, 934,
&end
#
# 36 LYS QG 67 ILE QG2 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 567, 568,
igr2=1033,1034,1035,
&end
#
# 36 LYS HA 72 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1115,1116,1117,
&end
#
# 36 LYS QB 37 MET QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 564, 565,
igr2= 589, 590,
&end
#
# 36 LYS QG 72 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 567, 568,
igr2=1115,1116,1117,
&end
#
# 36 LYS QD 72 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 570, 571,
igr2=1115,1116,1117,
&end
#
# 36 LYS H 37 MET QE 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 593, 594, 595,
&end
#
# 36 LYS HA 60 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 939, 940,
&end
#
# 36 LYS QG 37 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 567, 568,
&end
#
# 37 MET H 37 MET HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 584, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 MET H 37 MET QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 593, 594, 595,
&end
#
# 37 MET H 38 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 599, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 37 MET H 38 TYR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 601, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 37 MET H 38 TYR QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 603, 604,
&end
#
# 37 MET HA 38 TYR H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 584, 599, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 MET QE 38 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 593, 594, 595,
&end
#
# 37 MET QE 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 593, 594, 595,
&end
#
# 37 MET QE 60 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 593, 594, 595,
&end
#
# 37 MET QE 58 PRO HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 593, 594, 595,
&end
#
# 37 MET QE 58 PRO HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 593, 594, 595,
&end
#
# 37 MET QE 58 PRO HD3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 593, 594, 595,
&end
#
# 37 MET H 61 LEU H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 948, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 37 MET H 61 LEU QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 952, 953,
&end
#
# 37 MET H 58 PRO QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 902, 903,
&end
#
# 37 MET H 72 ILE HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 582,1111, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 37 MET H 38 TYR QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 607, 616,
&end
#
# 37 MET H 67 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1040,1041,1042,
&end
#
# 37 MET QE 60 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 593, 594, 595,
igr2= 939, 940,
&end
#
# 37 MET QE 60 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 593, 594, 595,
&end
#
# 38 TYR H 38 TYR HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 TYR H 38 TYR QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 603, 604,
&end
#
# 38 TYR H 38 TYR QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 607, 616,
&end
#
# 38 TYR H 38 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 609, 614,
&end
#
# 38 TYR HA 38 TYR QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 607, 616,
&end
#
# 38 TYR H 39 THR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 620, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR H 58 PRO HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 905, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 TYR H 59 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 TYR HA 39 THR H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 601, 620, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 TYR HB2 39 THR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 603, 620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 TYR HB3 39 THR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 604, 620, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR QD 39 THR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 40 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
igr2= 638, 639,
&end
#
# 38 TYR QE 40 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 609, 614,
igr2= 638, 639,
&end
#
# 38 TYR QD 61 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 607, 616,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 38 TYR QE 61 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 609, 614,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 38 TYR QD 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 61 LEU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
&end
#
# 38 TYR QE 61 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 609, 614,
&end
#
# 38 TYR QD 61 LEU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
&end
#
# 38 TYR QE 61 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 609, 614,
&end
#
# 38 TYR QD 61 LEU HG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
&end
#
# 38 TYR QE 61 LEU HG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 609, 614,
&end
#
# 38 TYR QE 61 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 609, 614,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 38 TYR HH 61 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 948, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR QE 40 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 609, 614,
igr2= 638, 639,
&end
#
# 38 TYR QD 40 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 607, 616,
igr2= 638, 639,
&end
#
# 38 TYR QD 40 SER H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 62 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
&end
#
# 38 TYR QE 62 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 609, 614,
&end
#
# 38 TYR H 58 PRO QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 902, 903,
&end
#
# 38 TYR H 61 LEU HB2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 952, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR H 61 LEU HB3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 953, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR QD 41 ILE H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 67 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
igr2=1040,1041,1042,
&end
#
# 38 TYR QE 61 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 609, 614,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 38 TYR QD 61 LEU HG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
&end
#
# 38 TYR QE 59 GLN QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 609, 614,
igr2= 913, 914,
&end
#
# 38 TYR QD 58 PRO HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 607, 616,
&end
#
# 38 TYR HD1 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 607, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HD2 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR QD 59 GLN HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 61 LEU QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 607, 616,
igr2= 952, 953,
&end
#
# 38 TYR HD1 91 TRP HZ3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 607,1439, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HD2 91 TRP HZ3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616,1439, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HD1 91 TRP HH2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 607,1437, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HD2 91 TRP HH2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616,1437, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HE1 58 PRO HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 609, 905, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HE2 58 PRO HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 614, 905, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HE1 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 609, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HE2 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 614, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HE1 59 GLN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 913, 914,
&end
#
# 38 TYR HE2 59 GLN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 913, 914,
&end
#
# 38 TYR QD 56 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
igr2= 860, 861, 862,
&end
#
# 38 TYR QD 56 ILE HB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 56 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
igr2= 867, 868, 869,
&end
#
# 38 TYR QD 57 LYS H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 57 LYS HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 58 PRO QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
igr2= 896, 897,
&end
#
# 38 TYR QD 60 LYS H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 61 LEU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 61 LEU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 607, 616,
&end
#
# 38 TYR QE 61 LEU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 609, 614,
&end
#
# 38 TYR QD 62 GLY H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
&end
#
# 38 TYR QD 65 GLU QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
igr2=1005,1006,
&end
#
# 38 TYR QD 65 GLU QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
igr2=1008,1009,
&end
#
# 38 TYR QE 56 ILE HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 609, 614,
&end
#
# 38 TYR QE 56 ILE HB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 609, 614,
&end
#
# 38 TYR QE 56 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 609, 614,
igr2= 860, 861, 862,
&end
#
# 38 TYR QE 56 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 609, 614,
igr2= 867, 868, 869,
&end
#
# 38 TYR QE 57 LYS H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 609, 614,
&end
#
# 38 TYR QE 57 LYS HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 609, 614,
&end
#
# 38 TYR QE 57 LYS QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 609, 614,
igr2= 877, 878,
&end
#
# 38 TYR QB 58 PRO HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 603, 604,
&end
#
# 38 TYR QB 59 GLN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 603, 604,
&end
#
# 38 TYR QB 61 LEU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 603, 604,
igr2= 952, 953,
&end
#
# 38 TYR QB 61 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 603, 604,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 38 TYR QD 61 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 607, 616,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 38 TYR QD 40 SER H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 607, 616,
&end
#
# 38 TYR QE 40 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 609, 614,
igr2= 638, 639,
&end
#
# 38 TYR QE 62 GLY HA2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 609, 614,
&end
#
# 38 TYR QE 62 GLY HA3 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 609, 614,
&end
#
# 39 THR H 39 THR HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 622, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 THR H 39 THR HB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 624, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 39 THR H 39 THR QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 626, 627, 628,
&end
#
# 39 THR HA 40 SER H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 622, 634, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 39 THR HB 40 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 624, 634, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 THR H 40 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 634, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 39 THR HA 56 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 622, 854, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 39 THR H 56 ILE QD 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50,
igr2= 867, 868, 869,
&end
#
# 39 THR QG2 58 PRO HD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 626, 627, 628,
&end
#
# 39 THR QG2 58 PRO HD3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 626, 627, 628,
&end
#
# 39 THR QG2 58 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 626, 627, 628,
igr2= 896, 897,
&end
#
# 39 THR QG2 58 PRO QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 626, 627, 628,
igr2= 902, 903,
&end
#
# 39 THR H 59 GLN H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 909, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50, &end
#
# 39 THR QG2 55 GLU QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 626, 627, 628,
igr2= 843, 844,
&end
#
# 39 THR QG2 59 GLN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 626, 627, 628,
&end
#
# 39 THR QG2 56 ILE HB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 626, 627, 628,
&end
#
# 40 SER H 40 SER HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 634, 636, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 SER H 40 SER QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 638, 639,
&end
#
# 40 SER HA 41 ILE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 636, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 SER QB 41 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 638, 639,
&end
#
# 40 SER H 41 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 634, 645, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 40 SER H 56 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 634, 858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 SER H 56 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 867, 868, 869,
&end
#
# 40 SER QB 56 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 638, 639,
igr2= 867, 868, 869,
&end
#
# 40 SER QB 56 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 638, 639,
igr2= 860, 861, 862,
&end
#
# 40 SER H 56 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 860, 861, 862,
&end
#
# 40 SER H 58 PRO HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 634, 905, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 40 SER H 55 GLU QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 843, 844,
&end
#
# 40 SER HA 41 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 655, 656,
&end
#
# 41 ILE H 41 ILE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 645, 647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 ILE QD 43 ASN QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 658, 659, 660,
igr2= 682, 683,
&end
#
# 41 ILE HA 42 PRO HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 ILE HA 42 PRO HD3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 666, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 ILE HA 42 PRO QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 665, 666,
&end
#
# 41 ILE QD 42 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 658, 659, 660,
igr2= 665, 666,
&end
#
# 41 ILE HB 42 PRO QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 665, 666,
&end
#
# 41 ILE QG2 42 PRO HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 651, 652, 653,
&end
#
# 41 ILE QG2 42 PRO HD3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 651, 652, 653,
&end
#
# 41 ILE HA 56 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 854, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 ILE HA 57 LYS H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 873, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 41 ILE QG2 55 GLU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 651, 652, 653,
&end
#
# 41 ILE QG2 55 GLU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 651, 652, 653,
igr2= 843, 844,
&end
#
# 41 ILE QG2 55 GLU QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 651, 652, 653,
igr2= 846, 847,
&end
#
# 41 ILE QD 56 ILE QG1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 658, 659, 660,
igr2= 864, 865,
&end
#
# 41 ILE QD 43 ASN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 658, 659, 660,
igr2= 682, 683,
&end
#
# 41 ILE QG2 42 PRO HA 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 651, 652, 653,
&end
#
# 41 ILE HB 56 ILE QG1 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2= 864, 865,
&end
#
# 42 PRO HA 43 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 674, 678, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 42 PRO HA 44 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 674, 692, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 42 PRO QD 56 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 665, 666,
igr2= 867, 868, 869,
&end
#
# 42 PRO QD 56 ILE QG1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 665, 666,
igr2= 864, 865,
&end
#
# 42 PRO QB 53 THR QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 671, 672,
igr2= 809, 810, 811,
&end
#
# 42 PRO QD 54 LYS QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 665, 666,
igr2= 824, 825,
&end
#
# 42 PRO QB 54 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 671, 672,
&end
#
# 42 PRO HB2 51 GLN QB 4.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,
igr2= 780, 781,
&end
#
# 42 PRO HB3 51 GLN QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 780, 781,
&end
#
# 43 ASN QB 54 LYS H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1= 682, 683,
&end
#
# 44 ASP H 44 ASP QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 696, 697,
&end
#
# 44 ASP HA 45 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 694, 704, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 ASP QB 45 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 696, 697,
&end
#
# 45 LYS H 45 LYS QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 708, 709,
&end
#
# 45 LYS QB 46 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 708, 709,
igr2= 727, 728,
&end
#
# 45 LYS HA 46 PRO HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 706, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 LYS HA 46 PRO HD3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 706, 728, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 LYS HA 46 PRO QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 727, 728,
&end
#
# 45 LYS H 46 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 727, 728,
&end
#
# 45 LYS H 52 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 797, 798, 799,
&end
#
# 46 PRO QB 50 SER H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 733, 734,
&end
#
# 46 PRO QG 49 SER HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 730, 731,
&end
#
# 46 PRO HD2 52 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 797, 798, 799,
&end
#
# 46 PRO HD3 52 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 797, 798, 799,
&end
#
# 46 PRO QD 52 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 727, 728,
igr2= 797, 798, 799,
&end
#
# 46 PRO QD 47 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 740, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 727, 728,
&end
#
# 46 PRO QD 48 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 727, 728,
&end
#
# 46 PRO QD 52 ALA H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 727, 728,
&end
#
# 46 PRO QD 52 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 727, 728,
&end
#
# 46 PRO QG 47 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 740, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 730, 731,
&end
#
# 46 PRO QG 48 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 730, 731,
&end
#
# 46 PRO QG 49 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 730, 731,
&end
#
# 46 PRO QB 47 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 740, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 733, 734,
&end
#
# 46 PRO QB 47 GLY QA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 733, 734,
igr2= 742, 743,
&end
#
# 46 PRO QB 48 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 733, 734,
&end
#
# 46 PRO HA 47 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 PRO HA 47 GLY HA2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 742, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 46 PRO HA 47 GLY HA3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 743, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 46 PRO HA 47 GLY QA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 742, 743,
&end
#
# 46 PRO HA 48 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 747, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 47 GLY QA 47 GLY H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 742, 743,
&end
#
# 47 GLY H 48 GLY H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 740, 747, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 GLY H 48 GLY QA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 749, 750,
&end
#
# 47 GLY HA2 48 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 742, 747, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 GLY HA3 48 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 743, 747, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 GLY QA 48 GLY HA2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 742, 743,
&end
#
# 47 GLY QA 48 GLY HA3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 742, 743,
&end
#
# 48 GLY H 49 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 747, 754, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 GLY H 49 SER HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 747, 756, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 48 GLY HA2 49 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 749, 754, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 GLY HA3 49 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 754, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 GLY QA 49 SER HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 749, 750,
&end
#
# 48 GLY QA 49 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 749, 750,
igr2= 758, 759,
&end
#
# 49 SER H 49 SER HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 754, 756, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 49 SER H 50 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 754, 765, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 49 SER HA 50 SER H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 756, 765, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 SER HA 50 SER HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 756, 767, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 49 SER HA 50 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 769, 770,
&end
#
# 49 SER QB 50 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 758, 759,
&end
#
# 50 SER H 51 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 765, 776, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 SER H 51 GLN HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 765, 778, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 50 SER HA 51 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 767, 776, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 50 SER HA 51 GLN HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 767, 778, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 50 SER HA 51 GLN QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 783, 784,
&end
#
# 50 SER QB 51 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 769, 770,
&end
#
# 50 SER QB 51 GLN HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 769, 770,
&end
#
# 51 GLN H 52 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 776, 793, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 51 GLN H 52 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 776, 795, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 51 GLN H 51 GLN QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 780, 781,
&end
#
# 51 GLN QB 52 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 780, 781,
&end
#
# 51 GLN QB 53 THR HA 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1= 780, 781,
&end
#
# 51 GLN HA 52 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 778, 793, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 GLN QB 52 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 780, 781,
&end
#
# 51 GLN QG 52 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 783, 784,
&end
#
# 51 GLN HA 52 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 797, 798, 799,
&end
#
# 51 GLN QB 52 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 780, 781,
igr2= 797, 798, 799,
&end
#
# 51 GLN QG 52 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 783, 784,
igr2= 797, 798, 799,
&end
#
# 51 GLN QG 53 THR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 783, 784,
&end
#
# 52 ALA HA 52 ALA H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 795, 793, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 ALA QB 52 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 797, 798, 799,
&end
#
# 52 ALA HA 53 THR H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 795, 803, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 ALA QB 53 THR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 797, 798, 799,
&end
#
# 52 ALA QB 53 THR HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 797, 798, 799,
&end
#
# 52 ALA QB 56 ILE HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 797, 798, 799,
&end
#
# 52 ALA H 53 THR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 803, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 52 ALA HA 53 THR HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 795, 805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 52 ALA HA 53 THR HB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 795, 807, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 53 THR H 53 THR HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 803, 805, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 53 THR H 54 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 803, 817, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 53 THR HA 54 LYS H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 805, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 THR HA 53 THR QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 809, 810, 811,
&end
#
# 53 THR HB 56 ILE HB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 807, 858, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 53 THR HA 56 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 867, 868, 869,
&end
#
# 53 THR HA 54 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 819, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 54 LYS H 54 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 817, 819, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 LYS QB 54 LYS QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 821, 822,
igr2= 830, 831,
&end
#
# 54 LYS HA 55 GLU H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 819, 839, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 LYS QB 55 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 821, 822,
&end
#
# 54 LYS QG 55 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 824, 825,
&end
#
# 54 LYS QD 55 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 839, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 827, 828,
&end
#
# 54 LYS H 55 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 817, 839, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 54 LYS QG 54 LYS QE 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 824, 825,
igr2= 830, 831,
&end
#
# 54 LYS H 56 ILE QG2 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2= 860, 861, 862,
&end
#
# 54 LYS H 56 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 864, 865,
&end
#
# 54 LYS H 55 GLU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 817, 841, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 54 LYS HA 55 GLU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 819, 841, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 54 LYS HA 55 GLU QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 843, 844,
&end
#
# 54 LYS HA 56 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 819, 854, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 54 LYS QB 55 GLU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 841, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 821, 822,
&end
#
# 54 LYS QB 55 GLU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 821, 822,
igr2= 843, 844,
&end
#
# 54 LYS QB 56 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 821, 822,
&end
#
# 54 LYS QB 56 ILE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 821, 822,
&end
#
# 54 LYS QB 56 ILE QG1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 821, 822,
igr2= 864, 865,
&end
#
# 55 GLU H 55 GLU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 839, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 GLU H 55 GLU QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 843, 844,
&end
#
# 55 GLU HA 56 ILE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 841, 854, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 55 GLU QB 56 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 843, 844,
&end
#
# 55 GLU QG 56 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 846, 847,
&end
#
# 55 GLU HA 56 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 841, 856, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HA 56 ILE HB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 841, 858, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HA 56 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 841, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 864, 865,
&end
#
# 55 GLU H 56 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 839, 854, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 56 ILE H 56 ILE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 854, 856, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 ILE H 56 ILE QG1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 864, 865,
&end
#
# 56 ILE H 56 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 860, 861, 862,
&end
#
# 56 ILE HA 57 LYS H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 856, 873, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 56 ILE QG1 57 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 864, 865,
&end
#
# 56 ILE QG2 57 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 860, 861, 862,
&end
#
# 56 ILE QD 57 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 867, 868, 869,
&end
#
# 56 ILE QG2 57 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 860, 861, 862,
&end
#
# 56 ILE HA 57 LYS QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 877, 878,
&end
#
# 56 ILE HA 57 LYS QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 880, 881,
&end
#
# 56 ILE H 57 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 854, 875, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 56 ILE HA 57 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 856, 875, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 56 ILE QG2 59 GLN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 860, 861, 862,
&end
#
# 57 LYS H 57 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 873, 875, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 LYS H 57 LYS QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 877, 878,
&end
#
# 57 LYS H 57 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 886, 887,
&end
#
# 57 LYS H 58 PRO QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 902, 903,
&end
#
# 57 LYS QB 57 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 877, 878,
igr2= 886, 887,
&end
#
# 57 LYS HA 58 PRO QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 896, 897,
&end
#
# 57 LYS HA 58 PRO HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 875, 896, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 LYS HA 58 PRO HD3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 875, 897, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 LYS H 59 GLN HA 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= 873, 911, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50, &end
#
# 57 LYS QB 58 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 877, 878,
igr2= 896, 897,
&end
#
# 57 LYS QB 58 PRO QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 877, 878,
igr2= 899, 900,
&end
#
# 58 PRO HA 59 GLN H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 905, 909, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 PRO HA 59 GLN HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 905, 911, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 58 PRO HA 59 GLN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 913, 914,
&end
#
# 58 PRO HB2 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 902, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 58 PRO HB3 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 903, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 58 PRO QB 59 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 902, 903,
&end
#
# 58 PRO QG 59 GLN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 899, 900,
&end
#
# 58 PRO QD 59 GLN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 896, 897,
&end
#
# 58 PRO QB 59 GLN HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 902, 903,
&end
#
# 59 GLN H 59 GLN HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 909, 911, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HA 60 LYS H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 911, 926, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 59 GLN H 60 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 909, 926, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 59 GLN HA 60 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 911, 928, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 59 GLN HA 60 LYS QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 930, 931,
&end
#
# 59 GLN H 61 LEU QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 952, 953,
&end
#
# 60 LYS HA 60 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 928, 926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 LYS HB2 60 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 930, 926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 LYS HB3 60 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 931, 926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 LYS QG 60 LYS H 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 933, 934,
&end
#
# 60 LYS QE 60 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 939, 940,
&end
#
# 60 LYS H 61 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 926, 948, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 60 LYS HA 61 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 928, 948, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 LYS QE 61 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 939, 940,
&end
#
# 60 LYS QB 61 LEU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 930, 931,
&end
#
# 60 LYS HA 61 LEU QQD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 60 LYS H 61 LEU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 926, 950, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 61 LEU H 61 LEU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 948, 950, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 61 LEU H 61 LEU HG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 948, 955, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 61 LEU H 61 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 61 LEU HA 61 LEU QQD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 957, 958, 959, 961, 962, 963,
&end
#
# 61 LEU H 62 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 948, 967, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 61 LEU HA 62 GLY H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 950, 967, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 61 LEU HB2 62 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 952, 967, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 61 LEU HB3 62 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 953, 967, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 61 LEU QB 62 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 952, 953,
&end
#
# 61 LEU QQD 62 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 957, 958, 959, 961, 962, 963,
&end
#
# 61 LEU HG 67 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1040,1041,1042,
&end
#
# 61 LEU QD1 67 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 957, 958, 959,
igr2=1040,1041,1042,
&end
#
# 61 LEU QD2 67 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 961, 962, 963,
igr2=1040,1041,1042,
&end
#
# 61 LEU QQD 67 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 957, 958, 959, 961, 962, 963,
igr2=1040,1041,1042,
&end
#
# 61 LEU QQD 67 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 957, 958, 959, 961, 962, 963,
igr2=1033,1034,1035,
&end
#
# 61 LEU QD1 67 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 957, 958, 959,
igr2=1037,1038,
&end
#
# 61 LEU QD2 67 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 961, 962, 963,
igr2=1037,1038,
&end
#
# 61 LEU QQD 91 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 957, 958, 959, 961, 962, 963,
&end
#
# 61 LEU QQD 65 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 957, 958, 959, 961, 962, 963,
&end
#
# 61 LEU QQD 65 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 957, 958, 959, 961, 962, 963,
igr2=1008,1009,
&end
#
# 61 LEU QD2 62 GLY QA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 961, 962, 963,
igr2= 969, 970,
&end
#
# 61 LEU QD1 62 GLY QA 4.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,
igr1= 957, 958, 959,
igr2= 969, 970,
&end
#
# 61 LEU QQD 67 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 957, 958, 959, 961, 962, 963,
&end
#
# 61 LEU HG 67 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 955,1027, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 61 LEU QQD 65 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 957, 958, 959, 961, 962, 963,
&end
#
# 61 LEU QQD 65 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 957, 958, 959, 961, 962, 963,
igr2=1008,1009,
&end
#
# 61 LEU HG 65 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1008,1009,
&end
#
# 61 LEU QQD 66 SER QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 957, 958, 959, 961, 962, 963,
igr2=1020,1021,
&end
#
# 61 LEU QQD 66 SER HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1= 957, 958, 959, 961, 962, 963,
&end
#
# 61 LEU QB 63 GLU QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1= 952, 953,
igr2= 981, 982,
&end
#
# 61 LEU QQD 66 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 957, 958, 959, 961, 962, 963,
&end
#
# 62 GLY QA 62 GLY H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 969, 970,
&end
#
# 62 GLY H 63 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 967, 974, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 GLY HA2 63 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 969, 974, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 GLY HA3 63 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 970, 974, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 62 GLY QA 63 GLU H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 969, 970,
&end
#
# 62 GLY H 64 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 967, 989, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 62 GLY QA 64 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 969, 970,
&end
#
# 62 GLY HA2 64 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 969, 989, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 62 GLY HA3 64 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 970, 989, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 62 GLY H 91 TRP HZ2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 967,1435, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 62 GLY H 91 TRP HH2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 967,1437, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 62 GLY H 65 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 967,1001, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 62 GLY H 65 GLU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 967,1003, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 62 GLY H 66 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 967,1016, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 62 GLY H 63 GLU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 967, 976, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 63 GLU H 64 ASP H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 974, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 GLU H 63 GLU HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 974, 976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 GLU H 63 GLU QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 978, 979,
&end
#
# 63 GLU H 63 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2= 981, 982,
&end
#
# 63 GLU HA 64 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 976, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 GLU HA 64 ASP HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 976, 991, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 63 GLU QB 64 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 978, 979,
&end
#
# 64 ASP HA 64 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 991, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 ASP QB 64 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 993, 994,
&end
#
# 64 ASP HA 65 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= 991,1001, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 64 ASP QB 65 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1= 993, 994,
&end
#
# 64 ASP H 65 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 989,1001, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLU H 65 GLU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1001,1003, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLU H 65 GLU QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1005,1006,
&end
#
# 65 GLU H 65 GLU HG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1001,1008, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLU H 65 GLU HG3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1001,1009, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 65 GLU HA 65 GLU QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1008,1009,
&end
#
# 65 GLU H 66 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1001,1016, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 65 GLU HA 66 SER H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1003,1016, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 GLU QG 66 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1016, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1008,1009,
&end
#
# 65 GLU HA 91 TRP HE1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1003,1432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLU QG 91 TRP HE1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1008,1009,
&end
#
# 65 GLU HA 90 GLU H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1003,1407, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 65 GLU HA 90 GLU HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1003,1409, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 65 GLU QG 67 ILE QG2 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1008,1009,
igr2=1033,1034,1035,
&end
#
# 65 GLU HA 92 VAL H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1003,1446, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 65 GLU QB 78 PHE H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1=1005,1006,
&end
#
# 66 SER H 66 SER HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 SER H 66 SER QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1020,1021,
&end
#
# 66 SER HA 67 ILE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1018,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 SER QB 67 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1020,1021,
&end
#
# 66 SER H 67 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1016,1027, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 66 SER H 91 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1016,1432, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 66 SER H 67 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1016, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1040,1041,1042,
&end
#
# 66 SER QB 67 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1020,1021,
igr2=1033,1034,1035,
&end
#
# 66 SER HA 68 PRO HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1018,1056, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 67 ILE H 67 ILE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 ILE H 67 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1033,1034,1035,
&end
#
# 67 ILE H 67 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1040,1041,1042,
&end
#
# 67 ILE HA 67 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1033,1034,1035,
&end
#
# 67 ILE QD 91 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1040,1041,1042,
&end
#
# 67 ILE QG1 91 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1037,1038,
&end
#
# 67 ILE QG2 91 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1033,1034,1035,
&end
#
# 67 ILE QG2 71 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1033,1034,1035,
&end
#
# 67 ILE QG2 72 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1033,1034,1035,
&end
#
# 67 ILE QG2 71 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1033,1034,1035,
igr2=1103,1104,1105,
&end
#
# 67 ILE QG2 71 ILE QG2 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1033,1034,1035,
igr2=1096,1097,1098,
&end
#
# 67 ILE QD 72 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1040,1041,1042,
igr2=1122,1123,1124,
&end
#
# 67 ILE QG2 72 ILE QD 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
igr1=1033,1034,1035,
igr2=1122,1123,1124,
&end
#
# 67 ILE QD 72 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1040,1041,1042,
igr2=1119,1120,
&end
#
# 67 ILE QD 76 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1040,1041,1042,
igr2=1175,1176,
&end
#
# 67 ILE HA 68 PRO HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1029,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 ILE HA 68 PRO HD3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1029,1048, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 67 ILE HA 68 PRO QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1047,1048,
&end
#
# 67 ILE QG2 68 PRO HD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1033,1034,1035,
&end
#
# 67 ILE QG2 68 PRO HD3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1033,1034,1035,
&end
#
# 67 ILE QG2 68 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1033,1034,1035,
igr2=1047,1048,
&end
#
# 67 ILE H 72 ILE QG2 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50,
igr2=1115,1116,1117,
&end
#
# 67 ILE H 71 ILE QD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1103,1104,1105,
&end
#
# 67 ILE QG2 74 GLY H 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50,
igr1=1033,1034,1035,
&end
#
# 67 ILE H 73 ASN H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1027,1128, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 67 ILE HA 91 TRP HE1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1029,1432, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 67 ILE QD 76 SER QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1040,1041,1042,
igr2=1175,1176,
&end
#
# 67 ILE QG2 76 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1033,1034,1035,
igr2=1175,1176,
&end
#
# 67 ILE HA 67 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1040,1041,1042,
&end
#
# 67 ILE HA 78 PHE HA 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1029,1204, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 67 ILE HA 68 PRO HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1029,1056, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 67 ILE H 68 PRO HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1027,1047, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 67 ILE H 68 PRO HD3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1027,1048, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 68 PRO HA 69 GLU H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1056,1060, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 68 PRO QB 69 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1053,1054,
&end
#
# 68 PRO QD 69 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1047,1048,
&end
#
# 68 PRO HA 70 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1056,1075, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 PRO QB 70 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1053,1054,
&end
#
# 68 PRO HA 71 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1056,1090, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 68 PRO QD 71 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1047,1048,
igr2=1103,1104,1105,
&end
#
# 68 PRO QB 71 ILE QD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1053,1054,
igr2=1103,1104,1105,
&end
#
# 68 PRO QD 71 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1047,1048,
&end
#
# 68 PRO QB 71 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1053,1054,
&end
#
# 69 GLU H 69 GLU HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1060,1062, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 69 GLU H 69 GLU QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1064,1065,
&end
#
# 69 GLU H 69 GLU QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1067,1068,
&end
#
# 69 GLU HA 69 GLU QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1067,1068,
&end
#
# 69 GLU H 70 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1060,1075, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 GLU HA 70 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1075, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 GLU QB 70 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1064,1065,
&end
#
# 69 GLU QG 70 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1067,1068,
&end
#
# 69 GLU H 71 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1060,1090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 69 GLU HA 71 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 69 GLU HA 72 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1109, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 69 GLU QB 72 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1064,1065,
&end
#
# 69 GLU HA 72 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1113, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 GLU HA 72 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1115,1116,1117,
&end
#
# 69 GLU HA 72 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1122,1123,1124,
&end
#
# 69 GLU QB 72 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1064,1065,
igr2=1115,1116,1117,
&end
#
# 69 GLU QG 72 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1067,1068,
igr2=1115,1116,1117,
&end
#
# 69 GLU QG 72 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1067,1068,
igr2=1122,1123,1124,
&end
#
# 69 GLU H 72 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1060,1109, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 69 GLU H 72 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1115,1116,1117,
&end
#
# 70 GLU H 70 GLU HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1075,1077, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 GLU H 70 GLU QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1079,1080,
&end
#
# 70 GLU H 70 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1082,1083,
&end
#
# 70 GLU H 71 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1075,1090, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 GLU H 71 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1096,1097,1098,
&end
#
# 70 GLU H 72 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1075,1109, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 70 GLU HA 71 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1090, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 GLU QB 71 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1079,1080,
&end
#
# 70 GLU QG 71 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1082,1083,
&end
#
# 70 GLU HA 72 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1109, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 70 GLU HA 73 ASN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1077,1128, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 70 GLU QB 71 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1079,1080,
igr2=1103,1104,1105,
&end
#
# 70 GLU QG 71 ILE QG2 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1082,1083,
igr2=1096,1097,1098,
&end
#
# 71 ILE H 71 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1090,1092, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 71 ILE H 71 ILE HB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1090,1094, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 71 ILE H 71 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1096,1097,1098,
&end
#
# 71 ILE HB 71 ILE QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1103,1104,1105,
&end
#
# 71 ILE H 71 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1103,1104,1105,
&end
#
# 71 ILE H 72 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1090,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 ILE QG2 72 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1096,1097,1098,
&end
#
# 71 ILE H 73 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1090,1128, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 71 ILE H 73 ASN QD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1137,1138,
&end
#
# 71 ILE HA 74 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1092,1142, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 71 ILE QD 93 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1103,1104,1105,
&end
#
# 71 ILE QG2 93 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1096,1097,1098,
&end
#
# 71 ILE QG2 94 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1469, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1096,1097,1098,
&end
#
# 71 ILE H 72 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1090,1111, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 71 ILE H 72 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1122,1123,1124,
&end
#
# 71 ILE QD 76 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1103,1104,1105,
igr2=1175,1176,
&end
#
# 71 ILE QD 91 TRP HE1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1103,1104,1105,
&end
#
# 72 ILE H 72 ILE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1109,1111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ILE H 72 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1109,1113, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ILE H 72 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1119,1120,
&end
#
# 72 ILE H 72 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1115,1116,1117,
&end
#
# 72 ILE H 72 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1122,1123,1124,
&end
#
# 72 ILE HA 72 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1122,1123,1124,
&end
#
# 72 ILE HB 72 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1122,1123,1124,
&end
#
# 72 ILE H 73 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1109,1128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ILE HA 73 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1111,1128, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 72 ILE HA 74 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1111,1142, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ILE QG2 73 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1115,1116,1117,
&end
#
# 72 ILE QG2 73 ASN HD21 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1115,1116,1117,
&end
#
# 72 ILE QG2 73 ASN HD22 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1115,1116,1117,
&end
#
# 72 ILE QG2 73 ASN QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1115,1116,1117,
igr2=1137,1138,
&end
#
# 72 ILE QG2 73 ASN QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1115,1116,1117,
igr2=1132,1133,
&end
#
# 72 ILE QG2 74 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1115,1116,1117,
&end
#
# 72 ILE QD 74 GLY H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1122,1123,1124,
&end
#
# 72 ILE H 76 SER H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1109,1171, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 72 ILE QG1 73 ASN QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1119,1120,
igr2=1132,1133,
&end
#
# 72 ILE H 74 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1109,1142, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 72 ILE HB 74 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1113,1142, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 73 ASN H 73 ASN HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1128,1130, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 ASN HB2 73 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 ASN HB3 73 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1133,1128, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 73 ASN HD21 73 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1137,1128, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 73 ASN HD21 73 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1137,1128, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 73 ASN QD2 73 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1137,1138,
&end
#
# 73 ASN HA 74 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1130,1142, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 73 ASN HB2 74 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1142, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 73 ASN HB3 74 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1133,1142, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 73 ASN HD21 74 GLY H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat=1137,1142, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50, &end
#
# 73 ASN HD22 74 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1138,1142, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 73 ASN H 74 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1128,1142, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 74 GLY H 74 GLY HA2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1142,1144, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 GLY H 74 GLY HA3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1142,1145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 GLY H 74 GLY QA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1144,1145,
&end
#
# 74 GLY H 75 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1142,1149, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 74 GLY HA2 75 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 GLY HA3 75 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1145,1149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 GLY QA 75 LYS H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1144,1145,
&end
#
# 75 LYS H 75 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1149,1151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 LYS H 75 LYS QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1156,1157,
&end
#
# 75 LYS H 75 LYS QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1159,1160,
&end
#
# 75 LYS HA 75 LYS QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1156,1157,
&end
#
# 75 LYS H 76 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1149,1171, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 75 LYS HA 76 SER H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LYS QB 76 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1153,1154,
&end
#
# 75 LYS HG2 76 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1156,1171, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 75 LYS HG3 76 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1157,1171, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 75 LYS QG 76 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1156,1157,
&end
#
# 75 LYS QE 76 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1162,1163,
&end
#
# 75 LYS QG 77 PHE HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1192, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1156,1157,
&end
#
# 75 LYS QG 77 PHE HE2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1156,1157,
&end
#
# 75 LYS QG 77 PHE HZ 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1194, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1156,1157,
&end
#
# 75 LYS QD 77 PHE QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1159,1160,
igr2=1192,1196,
&end
#
# 75 LYS QD 77 PHE HZ 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1194, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1159,1160,
&end
#
# 75 LYS H 94 TYR QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1473,1474,
&end
#
# 75 LYS QB 94 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1469, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1153,1154,
&end
#
# 75 LYS QG 94 TYR QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1156,1157,
igr2=1477,1486,
&end
#
# 75 LYS QD 94 TYR QD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1159,1160,
igr2=1477,1486,
&end
#
# 75 LYS QE 76 SER QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1162,1163,
igr2=1175,1176,
&end
#
# 75 LYS H 77 PHE HZ 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1149,1194, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 76 SER HA 76 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1173,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 SER QB 76 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1175,1176,
&end
#
# 76 SER HA 76 SER QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1175,1176,
&end
#
# 76 SER HA 77 PHE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1173,1182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 SER H 77 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1171,1182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 76 SER HA 92 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1173,1446, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 76 SER HA 93 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1173,1462, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 76 SER HA 93 GLY HA2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1173,1464, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 76 SER HA 93 GLY HA3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1173,1465, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 76 SER H 77 PHE HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1171,1192, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 76 SER H 77 PHE HE2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1171,1196, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 76 SER QB 91 TRP HZ3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1175,1176,
&end
#
# 76 SER QB 91 TRP HE3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1175,1176,
&end
#
# 76 SER H 77 PHE QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1192,1196,
&end
#
# 76 SER HA 94 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1173,1469, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 76 SER HB2 91 TRP QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1426,1427,
&end
#
# 76 SER HB3 91 TRP QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1426,1427,
&end
#
# 77 PHE HA 77 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 77 PHE QB 77 PHE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1186,1187,
&end
#
# 77 PHE QD 77 PHE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1190,1198,
&end
#
# 77 PHE QE 77 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1192,1196,
&end
#
# 77 PHE H 78 PHE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1182,1202, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 77 PHE HA 78 PHE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1184,1202, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 77 PHE QB 78 PHE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1186,1187,
&end
#
# 77 PHE H 92 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1182,1446, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 77 PHE H 92 VAL HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1182,1448, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 77 PHE H 92 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 77 PHE QB 79 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1186,1187,
igr2=1228,1229,1230,
&end
#
# 77 PHE QD 79 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1190,1198,
igr2=1228,1229,1230,
&end
#
# 77 PHE H 71 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1103,1104,1105,
&end
#
# 77 PHE QB 97 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1186,1187,
igr2=1539,1540,1541,
&end
#
# 77 PHE HD1 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1539,1540,1541,
&end
#
# 77 PHE HD2 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1539,1540,1541,
&end
#
# 77 PHE QD 97 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1190,1198,
igr2=1539,1540,1541,
&end
#
# 77 PHE QB 92 VAL QQG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1186,1187,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 77 PHE H 91 TRP HE3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1182,1441, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 77 PHE H 79 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1228,1229,1230,
&end
#
# 77 PHE QB 92 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1186,1187,
&end
#
# 77 PHE QD 92 VAL H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1190,1198,
&end
#
# 77 PHE QE 92 VAL QG2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1192,1196,
igr2=1456,1457,1458,
&end
#
# 77 PHE H 91 TRP QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1426,1427,
&end
#
# 77 PHE H 93 GLY QA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1464,1465,
&end
#
# 77 PHE QB 97 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1186,1187,
igr2=1532,1533,1534,
&end
#
# 77 PHE QE 97 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1192,1196,
igr2=1532,1533,1534,
&end
#
# 77 PHE QE 94 TYR QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1192,1196,
igr2=1473,1474,
&end
#
# 77 PHE QE 94 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1469, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1192,1196,
&end
#
# 77 PHE HA 97 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1539,1540,1541,
&end
#
# 77 PHE H 97 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1539,1540,1541,
&end
#
# 78 PHE H 78 PHE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1202,1204, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 78 PHE H 78 PHE QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1206,1207,
&end
#
# 78 PHE H 78 PHE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1210,1218,
&end
#
# 78 PHE HA 78 PHE QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1210,1218,
&end
#
# 78 PHE QD 91 TRP HD1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1210,1218,
&end
#
# 78 PHE QD 91 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1210,1218,
&end
#
# 78 PHE HA 91 TRP HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1204,1424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 PHE HA 91 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1204,1422, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 78 PHE HA 92 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1204,1446, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 78 PHE QD 79 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1210,1218,
&end
#
# 78 PHE QE 79 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1212,1216,
&end
#
# 78 PHE QB 91 TRP HE3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1206,1207,
&end
#
# 78 PHE QB 91 TRP HZ3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1206,1207,
&end
#
# 78 PHE QB 91 TRP HZ2 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1435, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1206,1207,
&end
#
# 78 PHE QE 89 ASP QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1212,1216,
igr2=1399,1400,
&end
#
# 78 PHE H 79 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1202,1222, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 78 PHE HA 79 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1204,1222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 78 PHE QE 89 ASP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1212,1216,
&end
#
# 78 PHE QE 90 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1212,1216,
&end
#
# 78 PHE QE 90 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1212,1216,
&end
#
# 78 PHE H 79 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1235,1236,1237,
&end
#
# 78 PHE QD 91 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1210,1218,
&end
#
# 78 PHE QD 92 VAL H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1210,1218,
&end
#
# 78 PHE QE 89 ASP QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1212,1216,
igr2=1399,1400,
&end
#
# 79 ILE H 79 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1224, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 79 ILE H 80 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1241, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 79 ILE HA 80 HIE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1224,1241, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 79 ILE HB 80 HIE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1226,1241, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 ILE QG1 80 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1232,1233,
&end
#
# 79 ILE QG2 80 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1228,1229,1230,
&end
#
# 79 ILE QD 80 HIE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1235,1236,1237,
&end
#
# 79 ILE H 90 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 79 ILE H 91 TRP HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 ILE H 92 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1222,1446, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 79 ILE QD 90 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1235,1236,1237,
&end
#
# 79 ILE QG1 90 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1232,1233,
&end
#
# 79 ILE QD 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1235,1236,1237,
igr2=1532,1533,1534,
&end
#
# 79 ILE QG2 97 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1228,1229,1230,
igr2=1539,1540,1541,
&end
#
# 79 ILE QD 92 VAL QQG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1235,1236,1237,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 79 ILE QD 81 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1235,1236,1237,
igr2=1266,1275,
&end
#
# 79 ILE QD 81 TYR QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1235,1236,1237,
igr2=1268,1273,
&end
#
# 79 ILE QD 90 GLU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1235,1236,1237,
igr2=1411,1412,
&end
#
# 79 ILE QD 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1235,1236,1237,
igr2=1539,1540,1541,
&end
#
# 79 ILE QG1 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1232,1233,
igr2=1539,1540,1541,
&end
#
# 79 ILE HB 90 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1226,1407, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 79 ILE QG1 91 TRP HE1 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1=1232,1233,
&end
#
# 79 ILE QG1 89 ASP H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1232,1233,
&end
#
# 79 ILE HB 81 TYR H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1226,1258, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 79 ILE QD 90 GLU QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1235,1236,1237,
igr2=1411,1412,
&end
#
# 79 ILE QD 90 GLU QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1235,1236,1237,
igr2=1414,1415,
&end
#
# 79 ILE QG1 82 GLN QG 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr1=1232,1233,
igr2=1286,1287,
&end
#
# 79 ILE QD 90 GLU QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1235,1236,1237,
igr2=1414,1415,
&end
#
# 79 ILE QD 92 VAL QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1235,1236,1237,
igr2=1452,1453,1454,
&end
#
# 79 ILE QD 92 VAL QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1235,1236,1237,
igr2=1456,1457,1458,
&end
#
# 79 ILE QD 92 VAL QQG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1235,1236,1237,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 79 ILE QG1 92 VAL QQG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1232,1233,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 79 ILE QG1 90 GLU QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1232,1233,
igr2=1411,1412,
&end
#
# 79 ILE H 97 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1539,1540,1541,
&end
#
# 80 HIE H 80 HIE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1241,1243, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 80 HIE H 80 HIE HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1241,1245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 HIE H 80 HIE HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1241,1246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 HIE H 80 HIE HD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1241,1254, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 80 HIE HA 81 TYR H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1243,1258, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 HIE QB 81 TYR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1245,1246,
&end
#
# 80 HIE HA 89 ASP HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1243,1397, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HA 90 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1243,1407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HA 89 ASP QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1399,1400,
&end
#
# 80 HIE HA 89 ASP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1243,1395, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 80 HIE HE1 82 GLN HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1250,1281, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HE1 83 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1250,1296, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HD2 86 SER HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1254,1351, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HD2 81 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1254,1258, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HA 80 HIE HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1243,1254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 HIE QB 82 GLN QE2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1245,1246,
igr2=1291,1292,
&end
#
# 80 HIE HD2 89 ASP QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1399,1400,
&end
#
# 81 TYR H 82 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1279, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 81 TYR H 81 TYR HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1260, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 TYR H 81 TYR QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1262,1263,
&end
#
# 81 TYR H 81 TYR QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1266,1275,
&end
#
# 81 TYR HA 82 GLN H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1260,1279, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 TYR QD 82 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1266,1275,
&end
#
# 81 TYR H 89 ASP HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1397, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 81 TYR H 89 ASP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1395, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 81 TYR H 90 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1258,1407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 81 TYR QD 90 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1266,1275,
&end
#
# 81 TYR H 97 ILE QG1 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2=1536,1537,
&end
#
# 81 TYR QE 128 DMC QQH 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1268,1273,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 81 TYR QD 128 DMC QQH 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1266,1275,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 81 TYR HB2 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 81 TYR HB3 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1263, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 81 TYR H 128 DMC QQH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 81 TYR QB 85 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1262,1263,
&end
#
# 82 GLN HA 82 GLN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1281,1279, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 82 GLN QB 82 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1283,1284,
&end
#
# 82 GLN QG 82 GLN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1286,1287,
&end
#
# 82 GLN H 83 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1279,1296, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 82 GLN HA 83 GLY H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1281,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 GLN QB 83 GLY H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1283,1284,
&end
#
# 82 GLN QB 83 GLY HA2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1283,1284,
&end
#
# 82 GLN QB 83 GLY HA3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1283,1284,
&end
#
# 82 GLN HA 84 TRP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1281,1303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 82 GLN QB 84 TRP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1283,1284,
&end
#
# 82 GLN H 89 ASP H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1279,1395, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 82 GLN HA 89 ASP H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1281,1395, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 82 GLN QE2 84 TRP H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1291,1292,
&end
#
# 82 GLN H 90 GLU H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1279,1407, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 82 GLN H 83 GLY QA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1298,1299,
&end
#
# 83 GLY H 83 GLY HA2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1296,1298, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 GLY H 83 GLY HA3 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1296,1299, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 GLY H 84 TRP H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1296,1303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 GLY QA 84 TRP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1298,1299,
&end
#
# 84 TRP H 84 TRP HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 TRP H 84 TRP HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 TRP H 84 TRP HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1308, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 TRP H 84 TRP HD1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1311, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 84 TRP H 84 TRP HE3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1322, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HA 85 LYS H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1305,1327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 TRP HA 86 SER H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1305,1349, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 84 TRP H 85 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1327, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 84 TRP H 86 SER H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1349, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 84 TRP H 86 SER HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1303,1351, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 84 TRP HD1 85 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1311,1327, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HA 85 LYS QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1305, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1331,1332,
&end
#
# 84 TRP QB 84 TRP HE1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1307,1308,
&end
#
# 84 TRP QB 84 TRP HZ2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1307,1308,
&end
#
# 84 TRP HZ3 85 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1320,1327, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HE3 85 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1327, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 84 TRP HE3 85 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1329, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 84 TRP QB 128 DMC QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1307,1308,
igr2=1979,1980,
&end
#
# 84 TRP HD1 128 DMC QQH 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 84 TRP HE1 128 DMC QQH 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 84 TRP HZ2 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 84 TRP HE3 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 84 TRP HH2 128 DMC QQH 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 84 TRP HH2 127 VAL HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1954, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HH2 127 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 84 TRP HZ2 128 DMC QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1979,1980,
&end
#
# 84 TRP HZ2 128 DMC QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1976,1977,
&end
#
# 84 TRP HE1 128 DMC QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1979,1980,
&end
#
# 84 TRP HE1 128 DMC QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1976,1977,
&end
#
# 84 TRP QB 88 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1307,1308,
&end
#
# 84 TRP HE3 88 TRP HD1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1379, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HE3 88 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1381, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ3 128 DMC QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1976,1977,
&end
#
# 84 TRP HZ3 128 DMC QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1979,1980,
&end
#
# 84 TRP HZ3 130 PRO HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1320,2017, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ3 130 PRO HD3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1320,2018, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HZ3 127 VAL QQG 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 84 TRP HZ3 129 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=2007,2008,
&end
#
# 84 TRP HH2 129 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=2007,2008,
&end
#
# 84 TRP HZ3 131 HIE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1320,2030, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HH2 130 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=2017,2018,
&end
#
# 84 TRP HH2 127 VAL HB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1956, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 84 TRP QB 128 DMC HD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1307,1308,
&end
#
# 84 TRP QB 128 DMC HD3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1977, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1307,1308,
&end
#
# 84 TRP QB 128 DMC HE2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1307,1308,
&end
#
# 84 TRP QB 128 DMC HE3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1307,1308,
&end
#
# 84 TRP QB 128 DMC QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1307,1308,
igr2=1976,1977,
&end
#
# 84 TRP HD1 128 DMC QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1976,1977,
&end
#
# 84 TRP HD1 128 DMC QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1979,1980,
&end
#
# 84 TRP HH2 129 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1994, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HH2 129 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1318,1996, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 84 TRP HH2 129 LYS QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1998,1999,
&end
#
# 84 TRP HH2 129 LYS QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=2004,2005,
&end
#
# 85 LYS H 85 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1327,1329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 LYS H 85 LYS QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1331,1332,
&end
#
# 85 LYS H 85 LYS QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1334,1335,
&end
#
# 85 LYS H 85 LYS QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1337,1338,
&end
#
# 85 LYS H 85 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1340,1341,
&end
#
# 85 LYS H 86 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1327,1349, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 85 LYS HA 86 SER H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 LYS HA 87 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 LYS HA 88 TRP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1371, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 85 LYS QB 86 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1331,1332,
&end
#
# 85 LYS QD 86 SER H 3.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1349, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
igr1=1337,1338,
&end
#
# 85 LYS QE 86 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1349, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1340,1341,
&end
#
# 85 LYS QG 88 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1334,1335,
&end
#
# 85 LYS QG 88 TRP HD1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1334,1335,
&end
#
# 85 LYS QB 88 TRP HD1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1331,1332,
&end
#
# 85 LYS QB 88 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1331,1332,
&end
#
# 85 LYS QB 87 SER QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1331,1332,
igr2=1364,1365,
&end
#
# 85 LYS QB 87 SER HG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1331,1332,
&end
#
# 85 LYS H 88 TRP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1327,1371, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 85 LYS QB 88 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1331,1332,
&end
#
# 85 LYS QG 87 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1334,1335,
&end
#
# 85 LYS QG 88 TRP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1334,1335,
&end
#
# 85 LYS QG 88 TRP HD1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1334,1335,
&end
#
# 85 LYS QD 87 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1337,1338,
&end
#
# 85 LYS H 86 SER HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1327,1351, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 85 LYS HA 86 SER HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1351, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 85 LYS HA 86 SER QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1353,1354,
&end
#
# 85 LYS H 87 SER H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1327,1360, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 85 LYS H 88 TRP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1327,1371, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 85 LYS QB 87 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1331,1332,
&end
#
# 85 LYS QB 88 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1331,1332,
&end
#
# 85 LYS QE 87 SER H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1340,1341,
&end
#
# 85 LYS QE 87 SER HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1340,1341,
&end
#
# 85 LYS QE 130 PRO QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1340,1341,
igr2=2020,2021,
&end
#
# 85 LYS QE 130 PRO QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1340,1341,
igr2=2017,2018,
&end
#
# 85 LYS QE 88 TRP HH2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1340,1341,
&end
#
# 85 LYS H 88 TRP HZ3 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1327,1388, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 86 SER H 86 SER HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1349,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 SER H 86 SER HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1349,1353, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 SER H 86 SER HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1349,1354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 SER H 87 SER H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1349,1360, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 SER HA 87 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1351,1360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 SER H 88 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1349,1371, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 86 SER QB 87 SER H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1353,1354,
&end
#
# 86 SER HA 88 TRP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1351,1371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 SER HA 89 ASP HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1351,1397, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 86 SER HA 89 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1351,1395, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 86 SER QB 88 TRP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1353,1354,
&end
#
# 87 SER H 87 SER HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1360,1362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 SER H 87 SER QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1364,1365,
&end
#
# 87 SER H 88 TRP H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1360,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 SER H 89 ASP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1360,1395, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 87 SER HA 88 TRP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1362,1371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 SER QB 88 TRP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1364,1365,
&end
#
# 87 SER HA 89 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1362,1395, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 87 SER QB 89 ASP H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1364,1365,
&end
#
# 87 SER HB2 88 TRP HE1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1364,1381, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 87 SER HB3 88 TRP HE1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1365,1381, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 87 SER HA 89 ASP QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1399,1400,
&end
#
# 88 TRP H 88 TRP HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1371,1373, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 TRP H 88 TRP HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1371,1375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 TRP H 88 TRP HB3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1371,1376, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 88 TRP HA 89 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1373,1395, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 TRP QB 89 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1375,1376,
&end
#
# 88 TRP H 89 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1371,1395, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 TRP H 90 GLU QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1411,1412,
&end
#
# 88 TRP HA 90 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1373,1407, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 88 TRP HE1 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 88 TRP HD1 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1379, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 88 TRP HB2 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1375, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 88 TRP HB3 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 88 TRP HE3 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 88 TRP HZ3 128 DMC QQH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 88 TRP HE1 128 DMC QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1979,1980,
&end
#
# 88 TRP HE1 128 DMC QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1976,1977,
&end
#
# 88 TRP HE1 129 LYS H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1381,1994, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 88 TRP HE1 130 PRO QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=2023,2024,
&end
#
# 88 TRP HE1 130 PRO QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=2017,2018,
&end
#
# 88 TRP H 128 DMC QQH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 88 TRP HH2 130 PRO QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=2023,2024,
&end
#
# 88 TRP HH2 129 LYS QE 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=2007,2008,
&end
#
# 88 TRP HZ3 128 DMC QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1979,1980,
&end
#
# 88 TRP HZ3 128 DMC QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1976,1977,
&end
#
# 88 TRP HZ3 130 PRO QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=2023,2024,
&end
#
# 88 TRP HZ3 130 PRO QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=2020,2021,
&end
#
# 88 TRP HZ2 131 HIE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1384,2030, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 88 TRP HZ2 130 PRO QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2023,2024,
&end
#
# 88 TRP HZ2 130 PRO QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1384, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=2017,2018,
&end
#
# 88 TRP HZ3 128 DMC QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1979,1980,
&end
#
# 88 TRP QB 128 DMC HE2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1375,1376,
&end
#
# 88 TRP QB 128 DMC HE3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1375,1376,
&end
#
# 88 TRP HD1 128 DMC QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1379, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1979,1980,
&end
#
# 88 TRP HD1 130 PRO QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1379, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=2020,2021,
&end
#
# 88 TRP HD1 130 PRO QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat=1379, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=2023,2024,
&end
#
# 88 TRP HE3 130 PRO QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=2023,2024,
&end
#
# 89 ASP H 89 ASP HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 ASP H 89 ASP QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1399,1400,
&end
#
# 89 ASP H 90 GLU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1411,1412,
&end
#
# 89 ASP HA 90 GLU H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1397,1407, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 89 ASP H 90 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1395,1407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 89 ASP HA 91 TRP H 1.80 6.50
&rst
ixpk= 0, nxpk= 0, iat=1397,1422, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 90 GLU HA 90 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1409,1407, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 GLU QB 90 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1411,1412,
&end
#
# 90 GLU HA 91 TRP H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1409,1422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 GLU H 91 TRP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1407,1422, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 90 GLU HA 91 TRP H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1409,1422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 GLU QB 91 TRP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1411,1412,
&end
#
# 90 GLU HG2 92 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 90 GLU HG3 92 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1415, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 90 GLU QG 92 VAL QQG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1414,1415,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 91 TRP H 91 TRP HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 TRP H 92 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1422,1446, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 91 TRP HA 92 VAL H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1424,1446, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 TRP HB2 92 VAL H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1426,1446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 TRP HB3 92 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1427,1446, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 91 TRP H 92 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1422,1446, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 91 TRP H 91 TRP HD1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1422,1430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 TRP H 91 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1422,1432, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 91 TRP HE3 92 VAL H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1446, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 91 TRP HE1 92 VAL H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1432,1446, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 91 TRP QB 91 TRP HE1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1432, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1426,1427,
&end
#
# 91 TRP HE1 93 GLY H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1432,1462, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 92 VAL H 92 VAL HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1446,1448, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 92 VAL H 92 VAL HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1446,1450, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 VAL H 92 VAL QQG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1452,1453,1454,1456,1457,1458,
&end
#
# 92 VAL HA 93 GLY H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1448,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 92 VAL H 93 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1446,1462, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 92 VAL HB 93 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1450,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 VAL QG1 97 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1452,1453,1454,
igr2=1539,1540,1541,
&end
#
# 92 VAL QG2 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1456,1457,1458,
igr2=1539,1540,1541,
&end
#
# 92 VAL QQG 97 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1452,1453,1454,1456,1457,1458,
igr2=1539,1540,1541,
&end
#
# 92 VAL QG1 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1452,1453,1454,
igr2=1532,1533,1534,
&end
#
# 92 VAL QG2 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1456,1457,1458,
igr2=1532,1533,1534,
&end
#
# 92 VAL QQG 97 ILE QG1 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1452,1453,1454,1456,1457,1458,
igr2=1536,1537,
&end
#
# 92 VAL QQG 97 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1452,1453,1454,1456,1457,1458,
&end
#
# 92 VAL QQG 97 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1452,1453,1454,1456,1457,1458,
&end
#
# 92 VAL HB 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1539,1540,1541,
&end
#
# 92 VAL HB 96 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1450,1502, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 92 VAL HB 98 ARG H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1450,1545, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 92 VAL QQG 96 ARG QH 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1452,1453,1454,1456,1457,1458,
igr2=1518,1519,1521,1522,
&end
#
# 93 GLY H 93 GLY QA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1464,1465,
&end
#
# 93 GLY H 94 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1462,1469, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 93 GLY HA2 94 TYR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1464,1469, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 GLY HA3 94 TYR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1465,1469, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 93 GLY HA2 95 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1464,1490, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 93 GLY HA3 95 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1465,1490, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 93 GLY H 95 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1462,1490, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 93 GLY H 96 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1462,1502, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 93 GLY H 96 ARG QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1512,1513,
&end
#
# 94 TYR H 94 TYR HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1469,1471, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 TYR H 94 TYR QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1473,1474,
&end
#
# 94 TYR H 94 TYR QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1477,1486,
&end
#
# 94 TYR H 95 ASP H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1469,1490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 TYR H 95 ASP HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1469,1492, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 94 TYR HA 95 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1490, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 94 TYR QB 95 ASP H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1490, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1473,1474,
&end
#
# 94 TYR QD 95 ASP H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1490, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1477,1486,
&end
#
# 94 TYR HA 97 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1526, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 TYR HA 96 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1471,1502, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 94 TYR QB 97 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1473,1474,
&end
#
# 94 TYR H 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1469, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1532,1533,1534,
&end
#
# 94 TYR HA 97 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1532,1533,1534,
&end
#
# 94 TYR HA 97 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1539,1540,1541,
&end
#
# 94 TYR QB 97 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1473,1474,
igr2=1532,1533,1534,
&end
#
# 94 TYR HE1 97 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1479, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1532,1533,1534,
&end
#
# 94 TYR HE2 97 ILE QG2 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat=1484, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1532,1533,1534,
&end
#
# 94 TYR QE 98 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1479,1484,
&end
#
# 95 ASP H 95 ASP HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1490,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 ASP H 96 ARG H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1490,1502, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 ASP HA 96 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1492,1502, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 95 ASP H 97 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1490,1526, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 95 ASP HA 97 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1492,1526, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 95 ASP H 96 ARG HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1490,1504, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 95 ASP H 98 ARG HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1490,1547, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50, &end
#
# 95 ASP H 97 ILE QG2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1532,1533,1534,
&end
#
# 96 ARG H 96 ARG HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1504, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 ARG H 96 ARG HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1506, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 ARG H 96 ARG HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 ARG HA 97 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1526, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 ARG H 97 ILE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1526, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 ARG H 97 ILE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1528, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 96 ARG H 97 ILE HB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1530, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 96 ARG H 97 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1532,1533,1534,
&end
#
# 97 ILE H 97 ILE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1526,1528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 ILE H 97 ILE HB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1526,1530, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 ILE H 97 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1526, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1536,1537,
&end
#
# 97 ILE H 97 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1532,1533,1534,
&end
#
# 97 ILE HA 97 ILE QG1 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1536,1537,
&end
#
# 97 ILE HA 97 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1532,1533,1534,
&end
#
# 97 ILE H 97 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1526, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1539,1540,1541,
&end
#
# 97 ILE H 97 ILE HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1526,1528, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 97 ILE H 98 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1526,1545, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 97 ILE HA 98 ARG H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1528,1545, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 ILE QG1 98 ARG H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1536,1537,
&end
#
# 97 ILE QG2 98 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1532,1533,1534,
&end
#
# 97 ILE QD 98 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1539,1540,1541,
&end
#
# 97 ILE HB 97 ILE QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1539,1540,1541,
&end
#
# 97 ILE QG2 97 ILE QD 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1532,1533,1534,
igr2=1539,1540,1541,
&end
#
# 97 ILE QG1 99 ALA QB 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1536,1537,
igr2=1573,1574,1575,
&end
#
# 98 ARG H 98 ARG HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1547, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 ARG H 98 ARG HD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1555, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 98 ARG H 98 ARG HD3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1556, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 98 ARG H 98 ARG QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1545, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1555,1556,
&end
#
# 98 ARG HA 98 ARG QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1555,1556,
&end
#
# 98 ARG H 99 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1569, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 98 ARG HA 99 ALA H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1547,1569, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 ARG QB 99 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1549,1550,
&end
#
# 98 ARG HA 99 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1547, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1573,1574,1575,
&end
#
# 98 ARG QB 99 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1549,1550,
igr2=1573,1574,1575,
&end
#
# 98 ARG H 107 MET QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1545, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1698,1699,1700,
&end
#
# 98 ARG QD 107 MET QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1555,1556,
igr2=1698,1699,1700,
&end
#
# 98 ARG HB2 104 ASN HD21 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1549,1653, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 98 ARG HB3 104 ASN HD22 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1550,1654, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 98 ARG QB 104 ASN QD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1549,1550,
igr2=1653,1654,
&end
#
# 98 ARG QD 104 ASN HD22 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1555,1556,
&end
#
# 98 ARG HA 104 ASN QD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1547, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1653,1654,
&end
#
# 98 ARG QD 101 ASN H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1555,1556,
&end
#
# 98 ARG QD 104 ASN H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1555,1556,
&end
#
# 99 ALA H 99 ALA HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1571, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 ALA H 100 TYR H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1579, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 99 ALA HA 100 TYR H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1571,1579, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 99 ALA QB 100 TYR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1573,1574,1575,
&end
#
# 99 ALA QB 101 ASN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1573,1574,1575,
igr2=1604,1605,
&end
#
# 99 ALA QB 101 ASN H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1573,1574,1575,
&end
#
# 99 ALA QB 101 ASN HD21 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1573,1574,1575,
&end
#
# 99 ALA QB 101 ASN HD22 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1573,1574,1575,
&end
#
# 99 ALA H 104 ASN QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1653,1654,
&end
#
# 99 ALA QB 104 ASN QD2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1573,1574,1575,
igr2=1653,1654,
&end
#
# 99 ALA H 101 ASN HD21 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1609, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 99 ALA H 101 ASN HD22 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1569,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 99 ALA H 101 ASN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1604,1605,
&end
#
# 100 TYR H 100 TYR HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1579,1581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 TYR HA 101 ASN H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1581,1600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 TYR HB2 101 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1583,1600, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 100 TYR HB3 101 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1584,1600, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 100 TYR QB 101 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1583,1584,
&end
#
# 100 TYR QD 101 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1600, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1587,1596,
&end
#
# 100 TYR H 101 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1579,1600, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 100 TYR HA 105 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1671,1672,1673,
&end
#
# 100 TYR QB 105 ILE QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1583,1584,
igr2=1671,1672,1673,
&end
#
# 100 TYR HD1 105 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1587, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1671,1672,1673,
&end
#
# 100 TYR HD2 105 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1671,1672,1673,
&end
#
# 100 TYR HE1 105 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1671,1672,1673,
&end
#
# 100 TYR HE2 105 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1671,1672,1673,
&end
#
# 100 TYR HA 101 ASN QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1609,1610,
&end
#
# 100 TYR HA 101 ASN HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1581,1602, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 100 TYR QE 102 GLU H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1589,1594,
&end
#
# 100 TYR QE 102 GLU HA 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1616, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1589,1594,
&end
#
# 100 TYR QE 104 ASN H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1589,1594,
&end
#
# 100 TYR QE 104 ASN QB 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1589,1594,
igr2=1648,1649,
&end
#
# 100 TYR QE 105 ILE H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1589,1594,
&end
#
# 100 TYR HE1 105 ILE HG12 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1589,1668, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 100 TYR HE1 105 ILE HG13 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1589,1669, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 101 ASN QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1604,1605,
&end
#
# 101 ASN H 101 ASN QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1609,1610,
&end
#
# 101 ASN H 102 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1614, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 101 ASN HA 102 GLU H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1614, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 101 ASN QB 102 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1604,1605,
&end
#
# 101 ASN HA 103 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1629, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 104 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1644, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 ASN HA 104 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1602,1644, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 105 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 ASN H 105 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1668,1669,
&end
#
# 101 ASN H 105 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1671,1672,1673,
&end
#
# 101 ASN QD2 103 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1609,1610,
&end
#
# 101 ASN QD2 105 ILE QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1609,1610,
igr2=1671,1672,1673,
&end
#
# 101 ASN HA 106 ALA QB 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50,
igr2=1681,1682,1683,
&end
#
# 101 ASN QB 104 ASN QD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1604,1605,
igr2=1653,1654,
&end
#
# 101 ASN QD2 103 GLU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1609,1610,
igr2=1633,1634,
&end
#
# 101 ASN QD2 103 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1609,1610,
igr2=1636,1637,
&end
#
# 101 ASN H 104 ASN QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1648,1649,
&end
#
# 101 ASN H 104 ASN HD21 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1653, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 104 ASN HD22 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1600,1654, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 103 GLU QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1600, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1633,1634,
&end
#
# 102 GLU H 102 GLU HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 GLU H 102 GLU QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1618,1619,
&end
#
# 102 GLU H 102 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1621,1622,
&end
#
# 102 GLU H 103 GLU H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1614,1629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 GLU H 104 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1644, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 102 GLU HA 103 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1616,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HB2 103 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1618,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HB3 103 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1619,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HA 106 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1616,1677, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HA 105 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1616,1658, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 102 GLU HA 105 ILE QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1671,1672,1673,
&end
#
# 102 GLU HA 105 ILE QG2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1664,1665,1666,
&end
#
# 102 GLU HA 105 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1616,1662, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HA 109 LYS H 6.00 10.00
&rst
ixpk= 0, nxpk= 0, iat=1616,1726, r1= 5.50, r2= 6.00,r3= 10.00, r4=10.50, &end
#
# 102 GLU QB 103 GLU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1618,1619,
igr2=1633,1634,
&end
#
# 102 GLU H 103 GLU HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1631, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 103 GLU HA 103 GLU H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1631,1629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 GLU HA 103 GLU QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1636,1637,
&end
#
# 103 GLU QB 103 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1633,1634,
&end
#
# 103 GLU QG 103 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1636,1637,
&end
#
# 103 GLU H 104 ASN H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1629,1644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 GLU HA 104 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1631,1644, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 GLU QB 104 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1633,1634,
&end
#
# 103 GLU QG 104 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1636,1637,
&end
#
# 103 GLU HA 106 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1681,1682,1683,
&end
#
# 103 GLU H 105 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1629,1658, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 103 GLU HA 105 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1631,1658, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 103 GLU QB 105 ILE H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1633,1634,
&end
#
# 103 GLU HA 106 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1631,1677, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 GLU HA 107 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1631,1687, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 103 GLU QG 106 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1636,1637,
igr2=1681,1682,1683,
&end
#
# 104 ASN HA 104 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1644, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 ASN HA 105 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 ASN QB 105 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1648,1649,
&end
#
# 104 ASN HA 106 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1677, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 104 ASN HA 107 MET H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1687, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 ASN H 105 ILE H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1644,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ASN H 106 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1644,1677, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 104 ASN HA 107 MET QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1698,1699,1700,
&end
#
# 104 ASN HA 107 MET HB2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1691, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 104 ASN HA 107 MET HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1692, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 ASN HA 108 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1646,1704, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 104 ASN QB 104 ASN QD2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1648,1649,
igr2=1653,1654,
&end
#
# 104 ASN H 105 ILE HB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1644,1662, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 104 ASN H 105 ILE QG1 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1668,1669,
&end
#
# 105 ILE HA 105 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1660,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 ILE HB 105 ILE H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1662,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 ILE HB 105 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1671,1672,1673,
&end
#
# 105 ILE QG2 105 ILE HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1664,1665,1666,
&end
#
# 105 ILE QG1 105 ILE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1668,1669,
&end
#
# 105 ILE QG1 105 ILE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1668,1669,
&end
#
# 105 ILE QG2 105 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1664,1665,1666,
&end
#
# 105 ILE QD 105 ILE H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1671,1672,1673,
&end
#
# 105 ILE HA 105 ILE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1671,1672,1673,
&end
#
# 105 ILE HA 106 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1660,1677, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 ILE HB 106 ALA H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1662,1677, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 ILE H 106 ALA H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1658,1677, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 ILE H 107 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1658,1687, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 105 ILE H 107 MET HA 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat=1658,1689, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50, &end
#
# 105 ILE HA 107 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1660,1687, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 105 ILE HA 108 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1660,1704, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 ILE QD 107 MET QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1671,1672,1673,
igr2=1698,1699,1700,
&end
#
# 105 ILE QD 108 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1671,1672,1673,
igr2=1717,1718,
&end
#
# 105 ILE QG2 109 LYS QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1664,1665,1666,
igr2=1730,1731,
&end
#
# 105 ILE QG2 109 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1664,1665,1666,
igr2=1739,1740,
&end
#
# 105 ILE HA 109 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1660,1726, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 105 ILE QG2 109 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1664,1665,1666,
&end
#
# 105 ILE HA 108 LYS QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1708,1709,
&end
#
# 105 ILE HA 108 LYS QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1711,1712,
&end
#
# 105 ILE HA 108 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1717,1718,
&end
#
# 105 ILE H 107 MET QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1691,1692,
&end
#
# 105 ILE QG1 109 LYS H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1668,1669,
&end
#
# 105 ILE QG2 107 MET H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1664,1665,1666,
&end
#
# 105 ILE QG2 106 ALA HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1679, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1664,1665,1666,
&end
#
# 105 ILE QG1 109 LYS QD 6.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 5.50, r2= 6.00, r3= 8.00, r4= 8.50,
igr1=1668,1669,
igr2=1736,1737,
&end
#
# 105 ILE HB 106 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1681,1682,1683,
&end
#
# 105 ILE H 106 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1681,1682,1683,
&end
#
# 106 ALA H 106 ALA HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1677,1679, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 ALA H 106 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1681,1682,1683,
&end
#
# 106 ALA H 107 MET H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1677,1687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 ALA H 108 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1677,1704, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 106 ALA HA 107 MET H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1679,1687, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 ALA QB 107 MET H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1681,1682,1683,
&end
#
# 106 ALA HA 108 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1679,1704, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 106 ALA HA 109 LYS QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1679, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1730,1731,
&end
#
# 106 ALA HA 109 LYS QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1679, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1733,1734,
&end
#
# 106 ALA HA 109 LYS QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1679, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1736,1737,
&end
#
# 106 ALA HA 109 LYS QE 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1679, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1739,1740,
&end
#
# 106 ALA HA 109 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1679,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 ALA HA 110 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1679,1748, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 106 ALA H 107 MET QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1691,1692,
&end
#
# 106 ALA H 107 MET QG 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr2=1694,1695,
&end
#
# 107 MET HA 107 MET H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1689,1687, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 MET QB 107 MET H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1691,1692,
&end
#
# 107 MET QG 107 MET H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1694,1695,
&end
#
# 107 MET HA 107 MET QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1694,1695,
&end
#
# 107 MET H 108 LYS H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1687,1704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 MET HA 108 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1689,1704, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 MET QB 108 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1691,1692,
&end
#
# 107 MET QG 108 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1694,1695,
&end
#
# 107 MET QE 108 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1704, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1698,1699,1700,
&end
#
# 107 MET QE 108 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1698,1699,1700,
&end
#
# 107 MET QB 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1691,1692,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 107 MET QG 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1694,1695,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 107 MET H 109 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1687,1726, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 107 MET HA 109 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689,1726, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 107 MET HA 110 ARG H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1689,1748, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 MET HA 111 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1689,1772, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 107 MET HG2 111 LEU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1694,1772, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 107 MET HG3 111 LEU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1695,1772, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 107 MET QG 111 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1772, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1694,1695,
&end
#
# 107 MET QB 109 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1691,1692,
&end
#
# 107 MET QG 109 LYS H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1694,1695,
&end
#
# 107 MET H 111 LEU QQD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 107 MET QB 111 LEU HG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1779, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1691,1692,
&end
#
# 107 MET QG 108 LYS HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1706, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1694,1695,
&end
#
# 107 MET QG 109 LYS H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1694,1695,
&end
#
# 107 MET QG 111 LEU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1772, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1694,1695,
&end
#
# 107 MET QG 112 ALA H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1694,1695,
&end
#
# 107 MET QG 110 ARG QD 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1694,1695,
igr2=1758,1759,
&end
#
# 108 LYS H 108 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1706, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 LYS H 108 LYS QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1708,1709,
&end
#
# 108 LYS H 108 LYS QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1704, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1711,1712,
&end
#
# 108 LYS H 109 LYS H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1704,1726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 LYS HA 109 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 LYS QB 109 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1708,1709,
&end
#
# 108 LYS QG 109 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1711,1712,
&end
#
# 108 LYS H 110 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1704,1748, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 108 LYS HA 110 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1748, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 108 LYS HA 111 LEU QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1706, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1776,1777,
&end
#
# 108 LYS HA 111 LEU QQD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 108 LYS HA 111 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1772, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 LYS HA 112 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1791, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 108 LYS HG2 112 ALA H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1711,1791, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 108 LYS HG3 112 ALA H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1712,1791, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 108 LYS QE 112 ALA QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1717,1718,
igr2=1795,1796,1797,
&end
#
# 108 LYS HA 112 ALA HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1706,1793, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 109 LYS HA 109 LYS H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1728,1726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LYS QB 109 LYS H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1730,1731,
&end
#
# 109 LYS QG 109 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1733,1734,
&end
#
# 109 LYS QD 109 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1736,1737,
&end
#
# 109 LYS QE 109 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1739,1740,
&end
#
# 109 LYS HA 110 ARG H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1728,1748, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 109 LYS QB 110 ARG H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1730,1731,
&end
#
# 109 LYS QE 110 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1739,1740,
&end
#
# 109 LYS H 110 ARG H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1726,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LYS HA 111 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1728,1772, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 109 LYS H 111 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1726,1772, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 109 LYS HA 112 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1728,1791, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 109 LYS HA 112 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1795,1796,1797,
&end
#
# 109 LYS QG 110 ARG QD 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1733,1734,
igr2=1758,1759,
&end
#
# 110 ARG H 110 ARG HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1748,1750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 ARG H 110 ARG QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1752,1753,
&end
#
# 110 ARG H 110 ARG QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1758,1759,
&end
#
# 110 ARG HA 110 ARG QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1758,1759,
&end
#
# 110 ARG H 111 LEU H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1748,1772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 ARG HA 111 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1772, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 ARG QB 111 LEU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1772, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1752,1753,
&end
#
# 110 ARG QG 111 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1772, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1755,1756,
&end
#
# 110 ARG QD 111 LEU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1772, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1758,1759,
&end
#
# 110 ARG H 112 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1791, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 112 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1791, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 ARG HA 113 ASN HB2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN HB3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1806, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN QB 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1805,1806,
&end
#
# 110 ARG HA 113 ASN HD21 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1810, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN HD22 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1750,1811, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN QD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1810,1811,
&end
#
# 110 ARG H 113 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1748,1801, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 110 ARG QD 111 LEU QQD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1758,1759,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 111 LEU H 111 LEU HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1772,1774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 LEU H 111 LEU HG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1772,1779, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 LEU H 111 LEU QQD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=1781,1782,1783,1785,1786,1787,
&end
#
# 111 LEU H 112 ALA H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1772,1791, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 LEU HA 112 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1774,1791, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 LEU QB 112 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1776,1777,
&end
#
# 111 LEU H 113 ASN H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1772,1801, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 111 LEU QQD 112 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1781,1782,1783,1785,1786,1787,
&end
#
# 111 LEU HA 113 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1774,1801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 LEU HA 114 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1774,1815, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 111 LEU QQD 114 GLU H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1815, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1781,1782,1783,1785,1786,1787,
&end
#
# 111 LEU QQD 115 ALA H 5.00 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 4.50, r2= 5.00, r3= 7.00, r4= 7.50,
igr1=1781,1782,1783,1785,1786,1787,
&end
#
# 111 LEU QQD 113 ASN H 5.00 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1801, r1= 4.50, r2= 5.00, r3= 8.00, r4= 8.50,
igr1=1781,1782,1783,1785,1786,1787,
&end
#
# 111 LEU HA 113 ASN HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774,1803, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 111 LEU HA 113 ASN QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1805,1806,
&end
#
# 111 LEU QQD 114 GLU QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1781,1782,1783,1785,1786,1787,
igr2=1822,1823,
&end
#
# 112 ALA H 112 ALA HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1791,1793, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 ALA HA 113 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1793,1801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 ALA QB 113 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1795,1796,1797,
&end
#
# 112 ALA QB 113 ASN HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1795,1796,1797,
&end
#
# 112 ALA H 113 ASN H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1791,1801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 ALA H 114 GLU H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1791,1815, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 113 ASN H 114 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1801,1815, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 ASN HA 114 GLU H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1803,1815, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 ASN H 113 ASN HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1801,1803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 ASN QB 115 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1805,1806,
&end
#
# 113 ASN HA 115 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1803,1830, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 113 ASN QB 114 GLU QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1805,1806,
igr2=1822,1823,
&end
#
# 114 GLU H 114 GLU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1815,1817, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 GLU H 114 GLU QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1822,1823,
&end
#
# 114 GLU H 115 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1815,1830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 GLU HA 115 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1817,1830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 GLU QB 115 ALA H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1819,1820,
&end
#
# 114 GLU QG 115 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1822,1823,
&end
#
# 114 GLU QG 115 ALA QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1822,1823,
igr2=1834,1835,1836,
&end
#
# 114 GLU QB 116 GLY H 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1840, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1819,1820,
&end
#
# 115 ALA HA 116 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1832,1840, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 115 ALA QB 116 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1834,1835,1836,
&end
#
# 116 GLY H 116 GLY QA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1840, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1842,1843,
&end
#
# 117 SER H 127 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1847, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 117 SER H 118 THR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1847,1858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 118 THR H 127 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1858, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 120 SER HA 121 ALA H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1881,1890, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 121 ALA H 121 ALA HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1890,1892, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 121 ALA HA 122 PRO HD2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1892,1901, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 121 ALA HA 122 PRO HD3 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1892,1902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 122 PRO HA 123 ALA H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1910,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 122 PRO QD 123 ALA H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1901,1902,
&end
#
# 123 ALA H 123 ALA HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1914,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 ALA HA 124 THR H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1916,1924, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 ALA HA 125 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1916,1938, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 124 THR HA 125 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1926,1938, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 124 THR QG2 125 GLY H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1930,1931,1932,
&end
#
# 125 GLY H 125 GLY HA2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1938,1940, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 125 GLY H 125 GLY HA3 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1938,1941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 125 GLY QA 126 GLY H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1940,1941,
&end
#
# 125 GLY H 127 VAL H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1938,1952, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 126 GLY H 126 GLY QA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1947,1948,
&end
#
# 126 GLY HA2 127 VAL H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1947,1952, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 126 GLY HA3 127 VAL H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1948,1952, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 126 GLY QA 127 VAL HB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1956, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1947,1948,
&end
#
# 126 GLY QA 127 VAL QQG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1947,1948,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 127 VAL H 127 VAL HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1952,1954, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 127 VAL H 127 VAL QQG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1958,1959,1960,1962,1963,1964,
&end
#
# 127 VAL HA 128 DMC H 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1954,1968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 VAL HB 128 DMC H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1956,1968, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 127 VAL QQG 128 DMC H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1968, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1958,1959,1960,1962,1963,1964,
&end
#
# 127 VAL QQG 128 DMC HA 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1970, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1958,1959,1960,1962,1963,1964,
&end
#
# 127 VAL QQG 129 LYS QG 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1958,1959,1960,1962,1963,1964,
igr2=2001,2002,
&end
#
# 127 VAL H 128 DMC QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1952, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1972,1973,
&end
#
# 128 DMC H 128 DMC HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1968,1970, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 128 DMC H 128 DMC QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1972,1973,
&end
#
# 128 DMC H 128 DMC HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1968,1976, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 128 DMC H 128 DMC HD3 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1968,1977, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 128 DMC H 128 DMC HE2 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1968,1979, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 128 DMC H 128 DMC HE3 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1968,1980, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 128 DMC H 128 DMC QQH 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=1984,1985,1986,1988,1989,1990,
&end
#
# 128 DMC H 129 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1968,1994, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50, &end
#
# 128 DMC HA 129 LYS H 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1970,1994, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 128 DMC QB 129 LYS H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1972,1973,
&end
#
# 128 DMC QD 129 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1976,1977,
&end
#
# 128 DMC QE 129 LYS H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=1979,1980,
&end
#
# 128 DMC QB 130 PRO QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1972,1973,
igr2=2017,2018,
&end
#
# 128 DMC QB 129 LYS HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=1972,1973,
&end
#
# 129 LYS H 129 LYS HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1994,1996, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 129 LYS H 129 LYS QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1998,1999,
&end
#
# 129 LYS H 129 LYS QG 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=2001,2002,
&end
#
# 129 LYS H 129 LYS QD 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=2004,2005,
&end
#
# 129 LYS H 129 LYS QE 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr2=2007,2008,
&end
#
# 129 LYS HA 130 PRO HD2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1996,2017, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 129 LYS HA 130 PRO HD3 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1996,2018, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 129 LYS H 130 PRO QB 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr2=2023,2024,
&end
#
# 129 LYS QD 130 PRO QD 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=2004,2005,
igr2=2017,2018,
&end
#
# 129 LYS QE 131 HIE HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2043, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=2007,2008,
&end
#
# 129 LYS QD 131 HIE HA 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2032, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,
igr1=2004,2005,
&end
#
# 129 LYS QD 131 HIE HD2 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2043, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=2004,2005,
&end
#
# 130 PRO HA 131 HIE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=2026,2030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 PRO QB 131 HIE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=2023,2024,
&end
#
# 130 PRO QD 131 HIE H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2030, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=2017,2018,
&end
#
# 131 HIE H 132 ARG H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=2030,2047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 131 HIE H 131 HIE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=2030,2032, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 131 HIE H 131 HIE QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2034,2035,
&end
#
# 131 HIE HA 132 ARG H 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=2032,2047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 131 HIE QB 132 ARG H 3.00 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2047, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,
igr1=2034,2035,
&end
#
# 131 HIE HD2 132 ARG QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=2043, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2054,2055,
&end
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