NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
631062 |
6e86   |
30502 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: all.rst
#
# 10 GLY HA3 67 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131, 999, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
/
#
# 10 GLY HA3 68 ALY HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 131,1031, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 11 PHE HA 67 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
/
#
# 11 PHE HN 67 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1001,1002,1003,
/
#
# 11 PHE HB2 68 ALY HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 139,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 11 PHE HB3 68 ALY HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 140,1030, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 11 PHE HZ 68 ALY QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1026,1025,
/
#
# 11 PHE HZ 68 ALY QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1024,1023,
/
#
# 11 PHE HZ 68 ALY QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1028,1027,
/
#
# 11 PHE QE 68 ALY HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 145, 149,
/
#
# 11 PHE QE 68 ALY QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 145, 149,
igr2=1026,1025,
/
#
# 11 PHE QE 68 ALY QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 145, 149,
igr2=1024,1023,
/
#
# 11 PHE QE 68 ALY QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 145, 149,
igr2=1028,1027,
/
#
# 12 LYS HA 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 965, 966, 967,
/
#
# 12 LYS HB2 65 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 965, 966, 967,
/
#
# 12 LYS HB3 65 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 965, 966, 967,
/
#
# 12 LYS HG2 65 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 965, 966, 967,
/
#
# 12 LYS HG3 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 965, 966, 967,
/
#
# 12 LYS HN 65 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 965, 966, 967,
/
#
# 12 LYS QD 65 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 165, 166,
igr2= 965, 966, 967,
/
#
# 12 LYS QE 65 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 168, 169,
igr2= 965, 966, 967,
/
#
# 12 LYS QE 66 ARG QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 168, 169,
igr2= 981, 982,
/
#
# 12 LYS HB2 67 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
/
#
# 12 LYS HB3 67 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1001,1002,1003,
/
#
# 12 LYS HN 67 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1001,1002,1003,
/
#
# 12 LYS QD 67 THR HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 165, 166,
/
#
# 12 LYS QD 67 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 165, 166,
igr2=1001,1002,1003,
/
#
# 12 LYS QE 67 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 168, 169,
igr2=1001,1002,1003,
/
#
# 14 ASP HA 65 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 965, 966, 967,
/
#
# 14 ASP HN 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 965, 966, 967,
/
#
# 36 SER HN 65 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 965, 966, 967,
/
#
# 36 SER HB2 66 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 515, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 36 SER HB2 66 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 515, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 36 SER HB2 66 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 981, 982,
/
#
# 36 SER HB2 66 ARG QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 978, 979,
/
#
# 36 SER HB3 66 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 36 SER HB3 66 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 981, 982,
/
#
# 36 SER HB3 66 ARG QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 978, 979,
/
#
# 37 LEU QD1 65 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 531, 532, 533,
igr2= 965, 966, 967,
/
#
# 37 LEU QD2 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 535, 536, 537,
igr2= 965, 966, 967,
/
#
# 37 LEU QD1 66 ARG HE 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 531, 532, 533,
/
#
# 38 ASP HN 65 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 965, 966, 967,
/
#
# 68 ALY QE 9 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1024,1023,
igr2= 118, 119, 120,
/
#
# 68 ALY HB3 10 GLY HA3 6.50
&rst
ixpk= 0, nxpk= 0, iat=1029, 131, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 68 ALY HB3 10 GLY HA2 6.50
&rst
ixpk= 0, nxpk= 0, iat=1029, 130, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 68 ALY QD 10 GLY HA2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1026,1025,
/
#
# 68 ALY QG 10 GLY HA3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1028,1027,
/
#
# 68 ALY QG 10 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1028,1027,
/
#
# 2 PRO QG 2 PRO HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 15, 16,
/
#
# 2 PRO HB3 2 PRO HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 19, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 2 PRO QG 2 PRO HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 15, 16,
/
#
# 2 PRO HB2 2 PRO HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 18, 21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 2 PRO HB3 2 PRO QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 12, 13,
/
#
# 2 PRO HB2 2 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 12, 13,
/
#
# 2 PRO HB2 3 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 18, 27, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 2 PRO HB3 4 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 19, 44, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 3 LEU HN 2 PRO HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 25, 19, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 3 LEU HN 2 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 18, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 3 LEU HN 2 PRO HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 25, 21, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 3 LEU QD1 3 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 34, 35, 36,
/
#
# 3 LEU HN 3 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 27, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 3 LEU QD2 3 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 38, 39, 40,
/
#
# 3 LEU HN 3 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 30, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 3 LEU QD1 3 LEU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 34, 35, 36,
/
#
# 3 LEU HN 3 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 25, 32, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 3 LEU QD1 3 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 34, 35, 36,
/
#
# 3 LEU QD2 3 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 38, 39, 40,
/
#
# 3 LEU QD2 3 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 38, 39, 40,
/
#
# 3 LEU HA 3 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 27, 32, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 3 LEU HN 3 LEU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 29, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 3 LEU HA 3 LEU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 27, 29, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 3 LEU HA 3 LEU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 27, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 3 LEU QD1 3 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 34, 35, 36,
/
#
# 3 LEU QD2 3 LEU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 38, 39, 40,
/
#
# 3 LEU QD1 4 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 34, 35, 36,
/
#
# 3 LEU HN 4 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 25, 44, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 3 LEU QD2 4 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 38, 39, 40,
/
#
# 3 LEU QD2 4 GLY QA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 38, 39, 40,
igr2= 46, 47,
/
#
# 3 LEU QD1 5 SER HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 34, 35, 36,
/
#
# 4 GLY HN 3 LEU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 44, 27, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 4 GLY HN 3 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 44, 30, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 4 GLY HN 3 LEU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 44, 29, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 4 GLY QA 4 GLY HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 46, 47,
/
#
# 4 GLY HN 5 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 55, 56,
/
#
# 4 GLY QA 6 VAL HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 46, 47,
/
#
# 5 SER HN 2 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 51, 19, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 5 SER HN 3 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 5 SER HN 3 LEU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 30, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 5 SER HN 3 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 29, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 5 SER HN 4 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 44, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 5 SER HN 4 GLY QA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 46, 47,
/
#
# 5 SER HN 5 SER HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 51, 53, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 5 SER QB 5 SER HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 55, 56,
/
#
# 5 SER HN 5 SER QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 55, 56,
/
#
# 5 SER HN 6 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 66, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 5 SER HN 6 VAL HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 51, 62, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 5 SER HN 23 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 6 VAL QG1 3 LEU HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 3 LEU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 68, 69, 70,
/
#
# 6 VAL HB 3 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 66, 27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 6 VAL QG2 5 SER HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 5 SER HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 68, 69, 70,
/
#
# 6 VAL HN 5 SER HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 62, 53, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 6 VAL QG1 5 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 68, 69, 70,
igr2= 55, 56,
/
#
# 6 VAL QG2 5 SER HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 72, 73, 74,
/
#
# 6 VAL HA 5 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 64, 53, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 6 VAL QG1 6 VAL HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 6 VAL HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 72, 73, 74,
/
#
# 6 VAL HN 6 VAL HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 62, 64, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 6 VAL QG1 6 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 6 VAL HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 6 VAL HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 72, 73, 74,
/
#
# 6 VAL QG2 6 VAL QG1 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 72, 73, 74,
igr2= 68, 69, 70,
/
#
# 6 VAL QG2 6 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 64, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 72, 73, 74,
/
#
# 6 VAL HB 6 VAL HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 66, 62, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 6 VAL HB 6 VAL HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 66, 64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 6 VAL QG2 7 GLN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 72, 73, 74,
/
#
# 6 VAL HB 7 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 66, 78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 6 VAL HN 7 GLN HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 62, 86, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 6 VAL QG1 7 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 7 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 7 GLN HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 7 GLN HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 7 GLN HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 8 HIE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 8 HIE HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 11 PHE QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 68, 69, 70,
igr2= 145, 149,
/
#
# 6 VAL QG2 23 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 23 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 23 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 23 GLY HA3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 23 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 24 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 25 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 25 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 25 ARG HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 63 TYR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 64 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 64 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 64 ARG HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 64 ARG HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 72, 73, 74,
/
#
# 6 VAL QG1 64 ARG HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 68, 69, 70,
/
#
# 6 VAL QG1 64 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 68, 69, 70,
igr2= 944, 945,
/
#
# 6 VAL QG1 64 ARG HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 68, 69, 70,
/
#
# 6 VAL QG2 64 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 72, 73, 74,
/
#
# 6 VAL QG2 64 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 72, 73, 74,
/
#
# 6 VAL QG2 64 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 72, 73, 74,
/
#
# 6 VAL HB 64 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 66, 936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 6 VAL QG1 64 ARG HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 68, 69, 70,
/
#
# 7 GLN HN 6 VAL HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 78, 64, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 7 GLN HA 6 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 80, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 7 GLN HB2 6 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 82, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 7 GLN HG2 6 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 85, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 7 GLN HG3 6 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 86, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 7 GLN HB3 6 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 83, 64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 7 GLN HA 7 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 80, 78, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 GLN HB2 7 GLN HE21 4.00
&rst
ixpk= 0, nxpk= 0, iat= 82, 90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 GLN HB3 7 GLN HE21 4.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 GLN HN 7 GLN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 7 GLN HE21 7 GLN HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 90, 85, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 GLN HB2 7 GLN HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 82, 83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 7 GLN HN 7 GLN HG3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 78, 86, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 7 GLN HB2 7 GLN HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 82, 85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 7 GLN HB3 7 GLN HG3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 83, 86, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 7 GLN HA 7 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 80, 86, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 7 GLN HA 7 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 80, 85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 7 GLN HN 7 GLN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 GLN HB3 7 GLN HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 83, 85, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 7 GLN HB2 7 GLN HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 82, 86, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 7 GLN HE21 7 GLN HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 90, 86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 GLN HN 7 GLN HG2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 78, 85, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 7 GLN HA 8 HIE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 80, 95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 GLN HB2 22 GLN HE22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 82, 310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 7 GLN HB3 22 GLN HE22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HD2 6 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 72, 73, 74,
/
#
# 8 HIE HN 7 GLN HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 95, 85, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 8 HIE HN 7 GLN HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 86, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 8 HIE HN 7 GLN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 82, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 8 HIE HN 7 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HN 7 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HD2 7 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 80, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HB2 7 GLN HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 99, 82, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 8 HIE HB3 7 GLN HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 100, 82, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 8 HIE HD2 8 HIE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 8 HIE HN 8 HIE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HN 8 HIE HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 8 HIE HN 8 HIE HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 8 HIE HB3 8 HIE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 100, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 8 HIE HB2 8 HIE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 99, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 8 HIE HN 9 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HB3 9 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 100, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HB2 9 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 99, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HA 9 VAL HN 2.80 --> 3.5
&rst
ixpk= 0, nxpk= 0, iat= 97, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 8 HIE HN 9 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 122, 123, 124,
/
#
# 8 HIE HA 9 VAL QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 122, 123, 124,
/
#
# 8 HIE HA 9 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97, 116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 HIE HB3 11 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 100, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HB2 11 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 99, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HN 11 PHE QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 143, 151,
/
#
# 8 HIE HD2 11 PHE HZ 7.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 147, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 8 HIE HB2 11 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 99, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 HIE HB2 11 PHE HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 99, 139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 8 HIE HN 20 PRO HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 95, 268, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 8 HIE HB2 20 PRO HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 99, 272, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 8 HIE HB2 20 PRO HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 99, 271, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 8 HIE HN 20 PRO HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 95, 269, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 8 HIE HD2 21 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 HIE HB3 21 ILE QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 284, 285, 286,
/
#
# 8 HIE HB2 21 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 284, 285, 286,
/
#
# 8 HIE HB3 21 ILE QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 291, 292, 293,
/
#
# 8 HIE HB2 21 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 291, 292, 293,
/
#
# 8 HIE HN 22 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 HIE HD2 22 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 HIE HD2 23 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 HIE HD2 62 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 9 VAL QG1 7 GLN HE21 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 118, 119, 120,
/
#
# 9 VAL QG2 7 GLN HE21 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 122, 123, 124,
/
#
# 9 VAL HN 7 GLN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 112, 82, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 9 VAL QG2 7 GLN HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 122, 123, 124,
/
#
# 9 VAL QG2 7 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 122, 123, 124,
/
#
# 9 VAL QG1 7 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 118, 119, 120,
/
#
# 9 VAL QG2 7 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 122, 123, 124,
/
#
# 9 VAL HN 9 VAL HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 9 VAL HN 9 VAL HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 9 VAL QG2 9 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 122, 123, 124,
/
#
# 9 VAL HA 9 VAL HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 9 VAL HN 9 VAL QG2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 122, 123, 124,
/
#
# 9 VAL HN 9 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 118, 119, 120,
/
#
# 9 VAL QG1 9 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 118, 119, 120,
/
#
# 9 VAL QG1 9 VAL HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 118, 119, 120,
/
#
# 9 VAL QG2 9 VAL HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 122, 123, 124,
/
#
# 9 VAL HN 10 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 112, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 9 VAL QG1 10 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 118, 119, 120,
/
#
# 9 VAL QG1 10 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 118, 119, 120,
/
#
# 9 VAL QG1 10 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 118, 119, 120,
/
#
# 9 VAL HN 20 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 112, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 9 VAL QG1 20 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 118, 119, 120,
/
#
# 9 VAL QG2 20 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 122, 123, 124,
/
#
# 9 VAL QG1 20 PRO HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 118, 119, 120,
/
#
# 9 VAL QG2 20 PRO HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 122, 123, 124,
/
#
# 9 VAL QG2 20 PRO HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 122, 123, 124,
/
#
# 9 VAL QG1 22 GLN HE22 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 118, 119, 120,
/
#
# 9 VAL QG2 22 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 122, 123, 124,
/
#
# 10 GLY HN 9 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 128, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 10 GLY HA3 9 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 131, 116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 10 GLY HA2 9 VAL HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 130, 116, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 10 GLY HA2 10 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 130, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 10 GLY HA3 10 GLY HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 131, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 10 GLY HA2 20 PRO HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 130, 268, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 11 PHE QE 8 HIE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 145, 149,
/
#
# 11 PHE QD 8 HIE HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 143, 151,
/
#
# 11 PHE QD 8 HIE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 151,
/
#
# 11 PHE QD 8 HIE HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 143, 151,
/
#
# 11 PHE HZ 8 HIE HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 99, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 11 PHE HN 9 VAL HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 11 PHE QE 9 VAL HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 145, 149,
/
#
# 11 PHE HN 9 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 118, 119, 120,
/
#
# 11 PHE HN 9 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 122, 123, 124,
/
#
# 11 PHE HN 10 GLY HA2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 130, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 11 PHE HN 10 GLY HA3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 135, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 11 PHE HN 10 GLY HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 11 PHE QD 11 PHE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 143, 151,
/
#
# 11 PHE HB3 11 PHE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 140, 135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 11 PHE HB2 11 PHE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 139, 135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 11 PHE QE 11 PHE HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 145, 149,
/
#
# 11 PHE QD 11 PHE HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 143, 151,
/
#
# 11 PHE QE 11 PHE HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 145, 149,
/
#
# 11 PHE QE 11 PHE QD 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 145, 149,
igr2= 143, 151,
/
#
# 11 PHE HZ 11 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 143, 151,
/
#
# 11 PHE HZ 11 PHE QE 2.80
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 145, 149,
/
#
# 11 PHE QE 11 PHE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 145, 149,
/
#
# 11 PHE HA 11 PHE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 11 PHE QD 11 PHE HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 143, 151,
/
#
# 11 PHE HB3 11 PHE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 11 PHE HB2 11 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 139, 137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 11 PHE HZ 11 PHE HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 147, 140, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 11 PHE QD 12 LYS HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 143, 151,
/
#
# 11 PHE HB3 12 LYS HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 11 PHE HB2 12 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 139, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 11 PHE HN 20 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 11 PHE HN 20 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 11 PHE HN 20 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 11 PHE HN 20 PRO HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 11 PHE HN 20 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 135, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 11 PHE HN 20 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 135, 268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 11 PHE QD 21 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 143, 151,
igr2= 284, 285, 286,
/
#
# 11 PHE HB2 21 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 291, 292, 293,
/
#
# 11 PHE HB3 21 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 291, 292, 293,
/
#
# 11 PHE HB3 21 ILE HG12 6.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 288, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 11 PHE QD 26 TRP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 143, 151,
/
#
# 11 PHE QD 27 HIE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 151,
/
#
# 11 PHE QE 27 HIE HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 145, 149,
/
#
# 11 PHE HB3 38 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 11 PHE HB3 38 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HN 11 PHE HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 137, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 12 LYS HN 11 PHE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 155, 135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 12 LYS HB2 11 PHE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 137, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 LYS HA 11 PHE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HN 12 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HN 12 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HN 12 LYS QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 165, 166,
/
#
# 12 LYS HN 12 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 12 LYS HG2 12 LYS HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 162, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 12 LYS HG3 12 LYS HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HG3 12 LYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HG3 12 LYS QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 168, 169,
/
#
# 12 LYS HG3 12 LYS QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 165, 166,
/
#
# 12 LYS HG2 12 LYS QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 168, 169,
/
#
# 12 LYS HG2 12 LYS QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 165, 166,
/
#
# 12 LYS HG2 12 LYS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 162, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HB2 12 LYS QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 168, 169,
/
#
# 12 LYS HG3 12 LYS HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 12 LYS HN 12 LYS HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HB3 12 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 168, 169,
/
#
# 12 LYS HN 12 LYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HB2 12 LYS HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 12 LYS HG2 12 LYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 162, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HB3 12 LYS HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 12 LYS HN 13 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 155, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 12 LYS HA 13 CY1 HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 177, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 12 LYS HG2 13 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 162, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 12 LYS HG3 13 CY1 HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HA 13 CY1 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HB2 13 CY1 HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HB3 13 CY1 HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HA 13 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS QD 14 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 165, 166,
/
#
# 12 LYS HG2 19 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 162, 249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HG3 19 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 163, 249, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 12 LYS HG2 19 GLU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 162, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 12 LYS HG2 19 GLU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 162, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 12 LYS HG3 19 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS QE 19 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 168, 169,
/
#
# 12 LYS HB2 19 GLU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 159, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 12 LYS HB3 19 GLU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 160, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 12 LYS HA 19 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 12 LYS HA 19 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HG3 19 GLU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 163, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 12 LYS HB3 19 GLU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 253, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 LYS HA 19 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 157, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 12 LYS HB2 19 GLU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 159, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 12 LYS HN 20 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 155, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 12 LYS HA 20 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HA 20 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 12 LYS HA 20 PRO HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 272, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 LYS HB3 20 PRO HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 272, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 LYS HB2 20 PRO HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 272, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 LYS HB2 20 PRO HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 271, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 12 LYS HB3 20 PRO HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 160, 271, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 12 LYS HN 21 ILE HG13 5.00
&rst
ixpk= 0, nxpk= 0, iat= 155, 289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 12 LYS HN 38 ASP HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 155, 545, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 13 CY1 HN 13 CY1 HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 13 CY1 HN 13 CY1 HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 13 CY1 HA 13 CY1 HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 179, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 13 CY1 HN 13 CY1 HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 13 CY1 HA 13 CY1 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 13 CY1 HN 18 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 177, 234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 13 CY1 HB2 18 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 243, 244, 245,
/
#
# 13 CY1 HB3 18 ILE QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 243, 244, 245,
/
#
# 13 CY1 HB3 18 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 13 CY1 HB3 18 ILE HG13 6.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 241, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 13 CY1 HB3 18 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 13 CY1 HN 21 ILE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 177, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 13 CY1 HA 38 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 179, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 ASP HN 13 CY1 HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 ASP HN 13 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 187, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 14 ASP HN 13 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 ASP HN 13 CY1 HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 187, 179, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 14 ASP HN 14 ASP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 14 ASP HN 14 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 14 ASP HN 14 ASP HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 14 ASP HB3 14 ASP HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 192, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 14 ASP HB2 14 ASP HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 191, 189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 14 ASP HB2 15 ASN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 191, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 14 ASP HB3 15 ASN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 14 ASP HN 15 ASN HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 187, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 14 ASP HN 16 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 ASP HN 18 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 236, 237, 238,
/
#
# 14 ASP HN 21 ILE HG13 6.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 289, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 14 ASP HN 21 ILE HG12 6.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 14 ASP HN 21 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 291, 292, 293,
/
#
# 14 ASP HN 37 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 535, 536, 537,
/
#
# 14 ASP HB3 37 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 531, 532, 533,
/
#
# 14 ASP HB2 37 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 531, 532, 533,
/
#
# 14 ASP HB2 37 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 535, 536, 537,
/
#
# 14 ASP HN 37 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 187, 524, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 14 ASP HB3 37 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 535, 536, 537,
/
#
# 14 ASP HN 38 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 ASP HN 38 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 14 ASP HN 38 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 187, 545, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 14 ASP HB2 38 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 191, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 14 ASP HN 39 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 555, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 14 ASP HB3 39 PHE HZ 6.50
&rst
ixpk= 0, nxpk= 0, iat= 192, 565, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 14 ASP HB2 39 PHE HZ 6.50
&rst
ixpk= 0, nxpk= 0, iat= 191, 565, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HN 13 CY1 HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 179, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 ASN HN 13 CY1 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 ASN HB3 13 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 181, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HN 13 CY1 HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 ASN HN 14 ASP HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 15 ASN HB3 14 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 187, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 15 ASN HA 14 ASP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 201, 187, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HA 15 ASN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 201, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HN 15 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 15 ASN HB2 15 ASN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HD22 15 ASN HD21 2.50
&rst
ixpk= 0, nxpk= 0, iat= 209, 208, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 15 ASN HB3 15 ASN HD21 4.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 208, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HB2 15 ASN HD21 4.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HB3 15 ASN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HB2 15 ASN HD22 4.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HA 15 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 201, 209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 15 ASN HA 15 ASN HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 201, 203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 15 ASN HB3 15 ASN HD22 4.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HA 15 ASN HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 201, 204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 15 ASN HA 16 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 ASN HN 16 CY1 HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 15 ASN HD22 16 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 209, 217, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HB2 16 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HD21 16 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 208, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HD21 16 CY1 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 208, 217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 15 ASN HB3 16 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 ASN HB3 16 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 217, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HD22 16 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 209, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HN 17 GLY HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 223, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HB3 17 GLY HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 204, 223, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, /
#
# 15 ASN HB2 17 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 223, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 15 ASN HB3 18 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 236, 237, 238,
/
#
# 15 ASN HN 37 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 535, 536, 537,
/
#
# 15 ASN HN 38 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 ASN HN 39 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 555, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 15 ASN HB3 43 CY1 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 611, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 ASN HB3 43 CY1 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 15 ASN HB2 43 CY1 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 611, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 ASN HB2 43 CY1 HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 ASN HA 43 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 201, 610, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 15 ASN HB3 46 CYS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 639, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 15 ASN HB2 46 CYS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 639, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 16 CY1 HN 13 CY1 HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 16 CY1 HN 13 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 16 CY1 HN 15 ASN HD22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 16 CY1 HN 15 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 16 CY1 HN 16 CY1 HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 16 CY1 HN 16 CY1 HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 CY1 HN 16 CY1 HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 16 CY1 HB2 16 CY1 HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 16 CY1 HB3 16 CY1 HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 16 CY1 HN 18 ILE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 213, 232, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 17 GLY HN 12 LYS HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 17 GLY HN 12 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 165, 166,
/
#
# 17 GLY HN 12 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 168, 169,
/
#
# 17 GLY HA2 12 LYS HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 225, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 17 GLY HA2 12 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 225, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 17 GLY HA2 12 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 168, 169,
/
#
# 17 GLY HA3 12 LYS QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 168, 169,
/
#
# 17 GLY HA3 12 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 17 GLY HA3 12 LYS HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 17 GLY HA2 12 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 165, 166,
/
#
# 17 GLY HA3 12 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 165, 166,
/
#
# 17 GLY HA3 13 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 226, 177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 17 GLY HN 13 CY1 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 GLY HN 13 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 GLY HA2 13 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 225, 181, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 17 GLY HA3 13 CY1 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 17 GLY HN 13 CY1 HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 181, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 17 GLY HA2 13 CY1 HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 225, 179, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 17 GLY HN 14 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 189, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 17 GLY HA2 14 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 225, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 17 GLY HA3 14 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 17 GLY HA3 16 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 226, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 17 GLY HN 16 CY1 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 GLY HN 16 CY1 HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 GLY HN 16 CY1 HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 223, 213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 17 GLY HA2 16 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 225, 213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 GLY HA2 16 CY1 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 225, 215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 GLY HA3 16 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 218, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 17 GLY HA3 17 GLY HN 2.50 --> 2.8
&rst
ixpk= 0, nxpk= 0, iat= 226, 223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 17 GLY HA2 17 GLY HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 225, 223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 17 GLY HN 18 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 17 GLY HN 18 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 18 ILE HN 12 LYS HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 18 ILE HN 12 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 157, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 18 ILE QG2 12 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 236, 237, 238,
/
#
# 18 ILE HN 13 CY1 HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 230, 181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 18 ILE HN 13 CY1 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 230, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 18 ILE QG2 13 CY1 HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 236, 237, 238,
/
#
# 18 ILE QG2 13 CY1 HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 236, 237, 238,
/
#
# 18 ILE QG2 13 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 236, 237, 238,
/
#
# 18 ILE QG2 13 CY1 HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 236, 237, 238,
/
#
# 18 ILE HN 16 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 18 ILE QG2 16 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 236, 237, 238,
/
#
# 18 ILE HN 16 CY1 HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 18 ILE HN 17 GLY HA3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 18 ILE HN 17 GLY HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 230, 223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 18 ILE QG2 17 GLY HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 236, 237, 238,
/
#
# 18 ILE QG2 17 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 236, 237, 238,
/
#
# 18 ILE HN 17 GLY HA2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 18 ILE QG2 18 ILE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 236, 237, 238,
/
#
# 18 ILE HN 18 ILE HG12 4.50
&rst
ixpk= 0, nxpk= 0, iat= 230, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 18 ILE HA 18 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 243, 244, 245,
/
#
# 18 ILE HN 18 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 243, 244, 245,
/
#
# 18 ILE QG2 18 ILE HG13 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 236, 237, 238,
/
#
# 18 ILE HN 18 ILE HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 18 ILE QG2 18 ILE HG12 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 236, 237, 238,
/
#
# 18 ILE HA 18 ILE HG12 4.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 18 ILE HA 18 ILE HG13 3.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 18 ILE QG2 18 ILE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 236, 237, 238,
/
#
# 18 ILE HB 18 ILE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 234, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 18 ILE HN 18 ILE HG13 4.50
&rst
ixpk= 0, nxpk= 0, iat= 230, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 18 ILE HB 18 ILE HG13 3.50
&rst
ixpk= 0, nxpk= 0, iat= 234, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 18 ILE QD1 18 ILE HG12 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 243, 244, 245,
/
#
# 18 ILE QD1 18 ILE HG13 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 243, 244, 245,
/
#
# 18 ILE HN 18 ILE HB 2.50
&rst
ixpk= 0, nxpk= 0, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 18 ILE QG2 18 ILE HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 236, 237, 238,
/
#
# 18 ILE HB 18 ILE HG12 3.50
&rst
ixpk= 0, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 18 ILE HB 18 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 243, 244, 245,
/
#
# 18 ILE HN 19 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 230, 249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 18 ILE QG2 19 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 236, 237, 238,
/
#
# 18 ILE HG12 19 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 18 ILE HG13 19 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 241, 253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 18 ILE HA 19 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 18 ILE HA 19 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 18 ILE HG12 19 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 18 ILE HG13 19 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 18 ILE HN 21 ILE HG12 6.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 288, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 18 ILE QG2 21 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 236, 237, 238,
igr2= 284, 285, 286,
/
#
# 18 ILE QG2 21 ILE HG13 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 236, 237, 238,
/
#
# 18 ILE HG13 21 ILE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 241, 280, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 18 ILE QG2 21 ILE HG12 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 236, 237, 238,
/
#
# 18 ILE QD1 21 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 243, 244, 245,
/
#
# 18 ILE QG2 21 ILE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 236, 237, 238,
/
#
# 18 ILE QG2 21 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 236, 237, 238,
igr2= 291, 292, 293,
/
#
# 18 ILE HG12 21 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 18 ILE QG2 22 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 236, 237, 238,
/
#
# 18 ILE HG12 22 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 18 ILE QD1 22 GLN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 243, 244, 245,
/
#
# 18 ILE QD1 22 GLN HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 243, 244, 245,
/
#
# 18 ILE QD1 22 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 243, 244, 245,
/
#
# 18 ILE HG13 22 GLN HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 241, 297, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 18 ILE QD1 22 GLN HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 243, 244, 245,
/
#
# 18 ILE QG2 40 CY1 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 236, 237, 238,
/
#
# 18 ILE QG2 40 CY1 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 236, 237, 238,
/
#
# 18 ILE QG2 42 SER HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 236, 237, 238,
/
#
# 18 ILE QG2 43 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 236, 237, 238,
/
#
# 19 GLU HN 13 CY1 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 19 GLU HN 18 ILE HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 249, 232, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 19 GLU HN 18 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 19 GLU HN 18 ILE HG12 2.80
&rst
ixpk= 0, nxpk= 0, iat= 249, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 19 GLU HN 18 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 243, 244, 245,
/
#
# 19 GLU HN 18 ILE HG13 2.80
&rst
ixpk= 0, nxpk= 0, iat= 249, 241, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 19 GLU HN 19 GLU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 19 GLU HN 19 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 249, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 19 GLU HB3 19 GLU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 19 GLU HN 19 GLU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 19 GLU HB2 19 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 19 GLU HN 20 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 19 GLU HN 20 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 19 GLU HB3 20 PRO HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 19 GLU HB2 20 PRO HB2 5.00 --> 5.5
&rst
ixpk= 0, nxpk= 0, iat= 253, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 19 GLU HB2 20 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 253, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 19 GLU HB3 20 PRO HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 20 PRO HA 9 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 PRO HG2 9 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 268, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 20 PRO HG3 9 VAL HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 20 PRO HG3 9 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 PRO HG2 9 VAL HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 268, 116, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 PRO HD2 9 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 122, 123, 124,
/
#
# 20 PRO HD3 9 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 122, 123, 124,
/
#
# 20 PRO HA 13 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 PRO HA 19 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 20 PRO HA 19 GLU HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 254, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 PRO HA 19 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 PRO HB2 19 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 271, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 20 PRO HG2 19 GLU HA 5.00 --> 5.5 --> 6.0
&rst
ixpk= 0, nxpk= 0, iat= 268, 251, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 20 PRO HA 19 GLU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 253, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 PRO HA 20 PRO HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 265, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 20 PRO HA 20 PRO HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 20 PRO HA 20 PRO HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 20 PRO HA 20 PRO HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 269, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 20 PRO HD3 20 PRO HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 20 PRO HD2 20 PRO HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 265, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 20 PRO HG3 20 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 PRO HA 20 PRO HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 20 PRO HD3 20 PRO HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 PRO HD3 20 PRO HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 266, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 20 PRO HD2 20 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 PRO HD3 20 PRO HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 20 PRO HD2 20 PRO HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 265, 268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 20 PRO HD2 20 PRO HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 265, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 20 PRO HA 20 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 PRO HG2 21 ILE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 268, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 20 PRO HA 21 ILE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 278, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 20 PRO HG3 21 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE HB 8 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 282, 95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 21 ILE HB 8 HIE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE HB 8 HIE HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 21 ILE QD1 11 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 291, 292, 293,
/
#
# 21 ILE HB 11 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 282, 135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 21 ILE QD1 11 PHE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 291, 292, 293,
/
#
# 21 ILE HB 11 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE HB 11 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE QD1 12 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 291, 292, 293,
/
#
# 21 ILE HG13 12 LYS HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 289, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 21 ILE HG12 12 LYS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 21 ILE QD1 12 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 291, 292, 293,
/
#
# 21 ILE HG12 13 CY1 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 21 ILE HG13 13 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 289, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE QG2 13 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 284, 285, 286,
/
#
# 21 ILE HG12 13 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 288, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 21 ILE QD1 13 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 291, 292, 293,
/
#
# 21 ILE HG13 13 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 289, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 21 ILE HG12 13 CY1 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE HG13 13 CY1 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 289, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 21 ILE QD1 13 CY1 HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 291, 292, 293,
/
#
# 21 ILE QD1 13 CY1 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 291, 292, 293,
/
#
# 21 ILE QD1 13 CY1 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 291, 292, 293,
/
#
# 21 ILE HG13 13 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 289, 181, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 21 ILE HG12 13 CY1 HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 179, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 21 ILE QG2 18 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 284, 285, 286,
igr2= 243, 244, 245,
/
#
# 21 ILE HG13 20 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 289, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE HB 20 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE QG2 21 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 284, 285, 286,
/
#
# 21 ILE QG2 21 ILE HG13 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 284, 285, 286,
/
#
# 21 ILE QD1 21 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 291, 292, 293,
/
#
# 21 ILE HB 21 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 21 ILE HG13 21 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 289, 278, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 21 ILE HN 21 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 21 ILE QG2 21 ILE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 284, 285, 286,
/
#
# 21 ILE HG13 21 ILE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 289, 280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 21 ILE QG2 21 ILE QD1 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 284, 285, 286,
igr2= 291, 292, 293,
/
#
# 21 ILE QD1 21 ILE HG13 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 291, 292, 293,
/
#
# 21 ILE QD1 21 ILE HG12 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 291, 292, 293,
/
#
# 21 ILE QD1 21 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 291, 292, 293,
/
#
# 21 ILE HB 21 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE HG12 21 ILE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 21 ILE HG12 21 ILE HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 278, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 21 ILE HB 21 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 284, 285, 286,
/
#
# 21 ILE HB 21 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 21 ILE HB 21 ILE HG12 4.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 21 ILE HB 21 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 291, 292, 293,
/
#
# 21 ILE HG13 22 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE QG2 22 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 284, 285, 286,
/
#
# 21 ILE QG2 22 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 284, 285, 286,
/
#
# 21 ILE QG2 22 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 284, 285, 286,
/
#
# 21 ILE QG2 22 GLN HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 284, 285, 286,
/
#
# 21 ILE HG12 22 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 ILE QD1 22 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 291, 292, 293,
/
#
# 21 ILE HB 22 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 282, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 21 ILE QG2 25 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 284, 285, 286,
/
#
# 21 ILE QG2 38 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 284, 285, 286,
/
#
# 21 ILE QD1 38 ASP HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 291, 292, 293,
/
#
# 21 ILE QD1 38 ASP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 291, 292, 293,
/
#
# 21 ILE QD1 38 ASP HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 291, 292, 293,
/
#
# 21 ILE HG12 40 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 578, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 21 ILE QD1 40 CY1 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 291, 292, 293,
/
#
# 21 ILE HG13 40 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 289, 578, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 21 ILE QG2 40 CY1 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 284, 285, 286,
/
#
# 21 ILE QD1 40 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 291, 292, 293,
/
#
# 21 ILE QG2 40 CY1 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 284, 285, 286,
/
#
# 22 GLN HE21 7 GLN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 82, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 22 GLN HE21 7 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 22 GLN HB3 7 GLN HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 302, 82, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 22 GLN HA 7 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 299, 83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 22 GLN HA 7 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 GLN HE21 9 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 118, 119, 120,
/
#
# 22 GLN HE21 9 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 122, 123, 124,
/
#
# 22 GLN HN 21 ILE HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 280, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 22 GLN HG2 21 ILE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 304, 280, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 22 GLN HB3 21 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 GLN HG3 21 ILE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 280, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 22 GLN HA 21 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 GLN HB2 21 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301, 280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 GLN HE21 22 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 GLN HE21 22 GLN HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 22 GLN HG3 22 GLN HE22 4.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 310, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 22 GLN HB2 22 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 301, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 22 GLN HN 22 GLN HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 297, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 22 GLN HN 22 GLN HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 297, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 22 GLN HN 22 GLN HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 22 GLN HN 22 GLN HE22 6.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 310, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 22 GLN HA 22 GLN HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 22 GLN HA 22 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 GLN HG2 22 GLN HE22 4.00
&rst
ixpk= 0, nxpk= 0, iat= 304, 310, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 22 GLN HB2 22 GLN HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 22 GLN HB2 22 GLN HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 301, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 22 GLN HB3 22 GLN HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 22 GLN HB3 22 GLN HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 22 GLN HA 22 GLN HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 22 GLN HA 22 GLN HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 22 GLN HE21 22 GLN HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 22 GLN HN 22 GLN HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 22 GLN HA 22 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 299, 297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 23 GLY HA2 4 GLY HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 316, 44, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 GLY HN 5 SER HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 53, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 23 GLY HN 6 VAL HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 23 GLY HA3 6 VAL HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 317, 62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 23 GLY HA2 6 VAL HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 23 GLY HA2 6 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 316, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 23 GLY HA3 6 VAL HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 23 GLY HN 6 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 23 GLY HN 7 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 23 GLY HA3 21 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 284, 285, 286,
/
#
# 23 GLY HA2 21 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 284, 285, 286,
/
#
# 23 GLY HN 22 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 23 GLY HN 22 GLN HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 304, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 GLY HN 22 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 23 GLY HN 22 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 23 GLY HA3 22 GLN HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 302, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 GLY HA3 22 GLN HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 301, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 GLY HA2 22 GLN HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 316, 299, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 GLY HN 22 GLN HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 299, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 23 GLY HA2 22 GLN HN 5.50 --> 6.0
&rst
ixpk= 0, nxpk= 0, iat= 316, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 23 GLY HN 22 GLN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 23 GLY HA3 22 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 23 GLY HN 23 GLY HA3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 23 GLY HN 23 GLY HA2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 23 GLY HN 24 VAL HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 24 VAL HN 4 GLY QA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 46, 47,
/
#
# 24 VAL QG1 4 GLY QA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 327, 328, 329,
igr2= 46, 47,
/
#
# 24 VAL QG2 4 GLY QA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 331, 332, 333,
igr2= 46, 47,
/
#
# 24 VAL HN 6 VAL HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 321, 66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 24 VAL QG2 6 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 331, 332, 333,
igr2= 72, 73, 74,
/
#
# 24 VAL QG2 6 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 331, 332, 333,
/
#
# 24 VAL QG1 6 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 327, 328, 329,
/
#
# 24 VAL HN 21 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 284, 285, 286,
/
#
# 24 VAL QG2 21 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 331, 332, 333,
igr2= 284, 285, 286,
/
#
# 24 VAL HA 21 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 284, 285, 286,
/
#
# 24 VAL QG1 22 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 327, 328, 329,
/
#
# 24 VAL HN 23 GLY HA3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 321, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 24 VAL HN 23 GLY HA2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 321, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 24 VAL QG1 23 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 327, 328, 329,
/
#
# 24 VAL HB 23 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 325, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 24 VAL QG1 23 GLY HA2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 327, 328, 329,
/
#
# 24 VAL HA 24 VAL HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 323, 321, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 24 VAL QG1 24 VAL HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 24 VAL HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 331, 332, 333,
/
#
# 24 VAL QG1 24 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 24 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 24 VAL QG1 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 331, 332, 333,
igr2= 327, 328, 329,
/
#
# 24 VAL QG1 24 VAL HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 327, 328, 329,
/
#
# 24 VAL HA 24 VAL HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 323, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 24 VAL QG2 24 VAL HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 331, 332, 333,
/
#
# 24 VAL HB 24 VAL HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 321, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 VAL HA 25 ARG HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 323, 337, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 24 VAL QG2 25 ARG HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 331, 332, 333,
/
#
# 24 VAL HA 25 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 323, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 24 VAL QG1 25 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 25 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 331, 332, 333,
/
#
# 24 VAL HB 25 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 24 VAL QG1 26 TRP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 327, 328, 329,
/
#
# 24 VAL QG1 26 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 327, 328, 329,
/
#
# 24 VAL HB 26 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 369, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 24 VAL QG2 26 TRP HZ2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 331, 332, 333,
/
#
# 24 VAL QG1 26 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 327, 328, 329,
/
#
# 24 VAL QG1 26 TRP HZ2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 26 TRP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 26 TRP HE1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 26 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 26 TRP HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 331, 332, 333,
/
#
# 24 VAL HB 26 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 24 VAL QG2 27 HIE HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 41 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 331, 332, 333,
/
#
# 24 VAL HB 41 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 24 VAL QG1 41 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 41 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 41 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 331, 332, 333,
/
#
# 24 VAL QG1 41 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 327, 328, 329,
/
#
# 24 VAL HB 41 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 325, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 24 VAL HB 41 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 325, 588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 24 VAL QG1 61 PRO HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 61 PRO HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 61 PRO HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 61 PRO HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 331, 332, 333,
/
#
# 24 VAL QG1 61 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 327, 328, 329,
/
#
# 24 VAL HA 62 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 323, 894, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 24 VAL QG2 62 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 62 ILE HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 331, 332, 333,
/
#
# 24 VAL QG1 62 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 327, 328, 329,
/
#
# 24 VAL HA 63 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 323, 913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 24 VAL QG1 63 TYR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 63 TYR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 331, 332, 333,
/
#
# 24 VAL QG2 63 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 331, 332, 333,
/
#
# 24 VAL QG1 63 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 327, 328, 329,
/
#
# 24 VAL QG1 63 TYR QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 327, 328, 329,
igr2= 923, 928,
/
#
# 24 VAL QG2 63 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 331, 332, 333,
igr2= 923, 928,
/
#
# 24 VAL QG1 63 TYR HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 63 TYR HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 331, 332, 333,
/
#
# 24 VAL QG1 63 TYR HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 327, 328, 329,
/
#
# 24 VAL QG2 63 TYR HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 331, 332, 333,
/
#
# 25 ARG HN 21 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 284, 285, 286,
/
#
# 25 ARG HA 21 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 284, 285, 286,
/
#
# 25 ARG HA 21 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 291, 292, 293,
/
#
# 25 ARG HN 24 VAL HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 25 ARG HA 24 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 339, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 25 ARG HN 25 ARG HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 25 ARG HA 25 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 339, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 25 ARG HN 25 ARG HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 25 ARG HA 25 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 25 ARG HN 62 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 25 ARG HN 62 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 907, 908, 909,
/
#
# 25 ARG HN 62 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 900, 901, 902,
/
#
# 25 ARG HB3 62 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 342, 898, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HN 21 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 284, 285, 286,
/
#
# 26 TRP HB2 21 ILE QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 291, 292, 293,
/
#
# 26 TRP HN 21 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 291, 292, 293,
/
#
# 26 TRP HE1 24 VAL HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 371, 321, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 TRP HZ2 24 VAL HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 374, 325, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 TRP HN 25 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HN 25 ARG HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 342, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HN 25 ARG HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 341, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HN 25 ARG HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 361, 339, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 26 TRP HB2 25 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HD1 25 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HD1 26 TRP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 TRP HN 26 TRP HE1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 TRP HB2 26 TRP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 TRP HZ2 26 TRP HE1 2.80
&rst
ixpk= 0, nxpk= 0, iat= 374, 371, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 26 TRP HD1 26 TRP HE1 2.80
&rst
ixpk= 0, nxpk= 0, iat= 369, 371, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 26 TRP HB2 26 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HB3 26 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HZ2 26 TRP HH2 2.50
&rst
ixpk= 0, nxpk= 0, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 26 TRP HZ2 26 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HZ3 26 TRP HH2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 26 TRP HD1 26 TRP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 TRP HB3 26 TRP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 TRP HZ3 26 TRP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HZ3 26 TRP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 365, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 TRP HZ3 27 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HN 27 HIE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 TRP HA 27 HIE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 TRP HB3 27 HIE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 TRP HN 38 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 361, 545, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 TRP HB2 39 PHE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 553, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 TRP HD1 39 PHE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HD1 39 PHE HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HB3 39 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 366, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HB3 39 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 366, 553, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HB2 39 PHE HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 26 TRP HB2 39 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HD1 40 CY1 HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HD1 41 ASP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 369, 583, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 TRP HD1 41 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HE1 42 SER HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HD1 44 SER HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 369, 616, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 TRP HE1 44 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HD1 44 SER HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HD1 44 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HZ3 59 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HZ3 59 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HZ3 59 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 26 TRP HZ3 59 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HD1 59 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 855, 856, 857,
/
#
# 26 TRP HH2 59 LEU QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 855, 856, 857,
/
#
# 26 TRP HZ3 59 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 855, 856, 857,
/
#
# 26 TRP HZ3 60 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HZ3 60 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 867, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HZ2 61 PRO HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 374, 887, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 26 TRP HZ3 61 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 TRP HZ3 61 PRO HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 26 TRP HZ3 61 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HH2 61 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 376, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 TRP HH2 61 PRO HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 376, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 27 HIE HB3 27 HIE HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 390, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 27 HIE HB2 27 HIE HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 HIE HN 27 HIE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 27 HIE HB2 27 HIE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 27 HIE HB3 27 HIE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 390, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 27 HIE HB2 27 HIE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 27 HIE HB3 27 HIE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 390, 387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 27 HIE HB2 28 CY4 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 389, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 HIE HB3 28 CY4 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 390, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 HIE HD2 29 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 398, 419, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 HIE HD2 29 GLN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 398, 414, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 27 HIE HA 37 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 387, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 27 HIE HA 38 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 387, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 27 HIE HB2 38 ASP HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 543, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 27 HIE HB3 59 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 855, 856, 857,
/
#
# 27 HIE HB2 59 LEU QQD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 855, 856, 857, 859, 860, 861,
/
#
# 27 HIE HN 60 GLU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 869, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 27 HIE HN 60 GLU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 870, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 27 HIE HD2 60 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 398, 872, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 HIE HB3 60 GLU HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 390, 873, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 27 HIE HB2 60 GLU HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 865, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 27 HIE HB3 60 GLU HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 390, 872, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 27 HIE HB3 60 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390, 865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 27 HIE HB2 62 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 907, 908, 909,
/
#
# 27 HIE HD2 62 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 900, 901, 902,
/
#
# 27 HIE HD2 62 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 907, 908, 909,
/
#
# 27 HIE HB3 62 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 907, 908, 909,
/
#
# 28 CY4 HN 27 HIE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 CY4 HB3 27 HIE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HN 27 HIE HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 387, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 28 CY4 HB2 27 HIE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HB3 28 CY4 HN 2.80 --> 3.5
&rst
ixpk= 0, nxpk= 0, iat= 406, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 28 CY4 HA 28 CY4 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 28 CY4 HA 28 CY4 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HA 28 CY4 HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 404, 407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 28 CY4 HB2 28 CY4 HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 407, 402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 28 CY4 HN 29 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HB3 29 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 406, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 28 CY4 HA 29 GLN HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 404, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 28 CY4 HB2 29 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HB3 30 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 406, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 CY4 HB2 30 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 407, 429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 CY4 HA 30 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 404, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 28 CY4 HB2 31 CY4 HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 28 CY4 HA 31 CY4 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 441, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 CY4 HB3 31 CY4 HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 441, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 28 CY4 HB3 31 CY4 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HB2 31 CY4 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 446, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 28 CY4 HB3 31 CY4 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HB2 37 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 535, 536, 537,
/
#
# 28 CY4 HB2 37 LEU HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 522, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 28 CY4 HB2 37 LEU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 28 CY4 HB2 37 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 28 CY4 HB3 37 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 28 CY4 HB2 37 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 531, 532, 533,
/
#
# 28 CY4 HB3 37 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 531, 532, 533,
/
#
# 28 CY4 HB3 37 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 535, 536, 537,
/
#
# 28 CY4 HN 37 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HN 37 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 28 CY4 HB3 37 LEU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 28 CY4 HA 39 PHE QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 563, 567,
/
#
# 28 CY4 HB2 53 HD2 HE1 5.50 --> 6.0
&rst
ixpk= 0, nxpk= 0, iat= 407, 756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 28 CY4 HA 57 HD2 HE1 4.50 --> 5.5 --> 6.0
&rst
ixpk= 0, nxpk= 0, iat= 404, 822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 28 CY4 HB3 59 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 855, 856, 857,
/
#
# 28 CY4 HB2 59 LEU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 407, 848, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 28 CY4 HB2 59 LEU QD1 4.00 --> 4.5
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 855, 856, 857,
/
#
# 28 CY4 HA 59 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 855, 856, 857,
/
#
# 28 CY4 HA 59 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 404, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 28 CY4 HB3 59 LEU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 406, 848, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 28 CY4 HN 60 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 CY4 HB3 60 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 406, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 28 CY4 HA 60 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HG2 29 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HG3 29 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 420, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HA 29 GLN HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 414, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 29 GLN HN 29 GLN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HN 29 GLN HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 29 GLN HA 29 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 GLN HB2 29 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 416, 425, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 GLN HG2 29 GLN HE21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 29 GLN HB2 29 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 416, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 GLN HG3 29 GLN HE21 4.00
&rst
ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HG3 29 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 420, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 29 GLN HA 29 GLN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 414, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 29 GLN HG2 29 GLN HE22 4.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HG3 29 GLN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 420, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 29 GLN HA 29 GLN HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 414, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 29 GLN HG2 29 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 29 GLN HG2 29 GLN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 29 GLN HG2 29 GLN HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 29 GLN HB3 29 GLN HE22 6.50
&rst
ixpk= 0, nxpk= 0, iat= 417, 425, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 29 GLN HG3 29 GLN HE22 4.00
&rst
ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HN 30 ASP HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 412, 429, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 29 GLN HA 30 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HG3 30 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 420, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 GLN HN 31 CY4 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HN 57 HD2 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 29 GLN HB3 57 HD2 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 417, 817, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 29 GLN HN 58 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 29 GLN HN 58 GLN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 833, 834,
/
#
# 29 GLN HN 59 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 GLN HN 59 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 GLN HG2 59 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 GLN HG3 59 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 420, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 GLN HG3 59 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 420, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 29 GLN HE22 60 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 425, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 GLN HA 60 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 GLN HG2 60 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 GLN HG3 60 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 420, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 30 ASP HB2 29 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 30 ASP HB3 29 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 30 ASP HB3 29 GLN HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 434, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 30 ASP HN 29 GLN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 30 ASP HN 29 GLN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 416, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 30 ASP HB2 29 GLN HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 30 ASP HN 30 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 30 ASP HB2 30 ASP HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 433, 429, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 30 ASP HB3 30 ASP HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 434, 429, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 30 ASP HB3 30 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 434, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 30 ASP HN 31 CY4 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 445, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ASP HB2 31 CY4 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 30 ASP HN 31 CY4 HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ASP HB2 31 CY4 HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 30 ASP HN 31 CY4 HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ASP HB3 31 CY4 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 30 ASP HN 57 HD2 HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 817, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 30 ASP HN 57 HD2 HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 30 ASP HB2 57 HD2 HN 5.00 --> 5.5
&rst
ixpk= 0, nxpk= 0, iat= 433, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 30 ASP HB3 57 HD2 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ASP HB2 57 HD2 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ASP HB3 57 HD2 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 434, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 30 ASP HB2 57 HD2 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 30 ASP HB2 57 HD2 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 31 CY4 HN 29 GLN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 441, 416, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 31 CY4 HN 30 ASP HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 429, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 31 CY4 HN 31 CY4 HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 31 CY4 HN 31 CY4 HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 31 CY4 HB2 31 CY4 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 31 CY4 HB3 31 CY4 HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 31 CY4 HN 31 CY4 HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 31 CY4 HN 32 PRO HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 452, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 31 CY4 HN 32 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 31 CY4 HB2 32 PRO HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 31 CY4 HA 32 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 443, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 31 CY4 HB3 32 PRO HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 31 CY4 HA 32 PRO HD3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 443, 453, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 31 CY4 HA 32 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 443, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 31 CY4 HB3 32 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 31 CY4 HB3 32 PRO HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 31 CY4 HA 32 PRO HD2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 31 CY4 HB2 32 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 31 CY4 HB3 32 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 445, 452, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 31 CY4 HB3 35 MET HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 445, 494, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 31 CY4 HB3 35 MET HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 31 CY4 HB2 35 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 31 CY4 HB2 35 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 31 CY4 HB3 35 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 31 CY4 HB3 36 SER HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 445, 513, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 31 CY4 HB2 36 SER HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 31 CY4 HA 52 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 733, 734, 735,
/
#
# 31 CY4 HB2 52 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 733, 734, 735,
/
#
# 31 CY4 HB3 52 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 740, 741, 742,
/
#
# 31 CY4 HB3 52 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 733, 734, 735,
/
#
# 31 CY4 HB2 52 ILE HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 731, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 31 CY4 HN 53 HD2 HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 748, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 31 CY4 HN 57 HD2 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 441, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 31 CY4 HN 57 HD2 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 817, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 32 PRO HD3 32 PRO HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 32 PRO HD3 32 PRO HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 32 PRO HD2 32 PRO HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 32 PRO HD2 32 PRO HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 32 PRO HD3 34 GLU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 453, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 32 PRO HD3 35 MET HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 501, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 32 PRO HD3 35 MET HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 453, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 32 PRO HD3 35 MET HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 453, 496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 32 PRO HD2 35 MET HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 452, 496, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 32 PRO HD2 35 MET HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 499, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 32 PRO HD2 35 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 32 PRO HD3 35 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 32 PRO HD2 35 MET HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 452, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 32 PRO HD2 35 MET HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 501, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 32 PRO HD3 36 SER HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 453, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 32 PRO HD2 36 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 452, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 32 PRO HD2 52 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 733, 734, 735,
/
#
# 32 PRO HD3 52 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
/
#
# 32 PRO HD3 52 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 733, 734, 735,
/
#
# 32 PRO HD2 52 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
/
#
# 32 PRO HD2 52 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 32 PRO HD3 52 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 32 PRO HD3 52 ILE HG13 6.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 738, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 32 PRO HD3 52 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 453, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 32 PRO HD2 52 ILE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 729, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 33 PRO QD 32 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 466, 467,
/
#
# 33 PRO HA 33 PRO HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 33 PRO HA 33 PRO QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 469, 470,
/
#
# 33 PRO HB3 33 PRO QG 2.80
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 469, 470,
/
#
# 33 PRO HA 33 PRO QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 466, 467,
/
#
# 33 PRO HA 33 PRO HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 33 PRO QD 33 PRO HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 466, 467,
/
#
# 34 GLU HN 33 PRO HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 479, 475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 34 GLU HN 33 PRO QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 469, 470,
/
#
# 34 GLU HN 33 PRO QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 466, 467,
/
#
# 34 GLU HN 33 PRO HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 479, 473, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 34 GLU HN 33 PRO HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 479, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 34 GLU HA 33 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 34 GLU HA 34 GLU HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 481, 479, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 34 GLU HA 34 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 34 GLU HN 34 GLU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 479, 483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 34 GLU HN 34 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 34 GLU HG2 34 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 34 GLU HG2 34 GLU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 34 GLU HA 34 GLU HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 34 GLU HN 34 GLU HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 34 GLU HN 34 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 479, 486, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 34 GLU HA 34 GLU HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 34 GLU HG3 34 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 487, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 34 GLU HA 34 GLU HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 34 GLU HG3 34 GLU HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 487, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 34 GLU HN 35 MET HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 479, 498, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 35 MET HN 32 PRO HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 35 MET HN 32 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 35 MET HG3 32 PRO HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 35 MET HN 32 PRO HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 456, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 35 MET HN 32 PRO HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 35 MET HG3 32 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 502, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 35 MET HG2 32 PRO HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 455, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 35 MET HG2 32 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 35 MET HN 33 PRO QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 466, 467,
/
#
# 35 MET HN 33 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 35 MET HN 34 GLU HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HN 34 GLU HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 494, 479, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 35 MET HN 34 GLU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 483, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 35 MET HN 34 GLU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 484, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 35 MET HN 34 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 35 MET HA 34 GLU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 496, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 35 MET HN 34 GLU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 35 MET HN 35 MET HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HN 35 MET HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 35 MET HN 35 MET HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HG2 35 MET QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 505, 506, 507,
/
#
# 35 MET HG3 35 MET QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 505, 506, 507,
/
#
# 35 MET HA 35 MET HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 35 MET HA 35 MET QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 505, 506, 507,
/
#
# 35 MET HN 35 MET HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HG2 35 MET HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HG3 35 MET HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 502, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HA 35 MET HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 496, 499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 35 MET HN 35 MET HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HG3 35 MET HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 502, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HG2 35 MET HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HG3 35 MET HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 502, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 35 MET HN 36 SER HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 516, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 35 MET HN 36 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 35 MET HN 36 SER HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 35 MET HN 52 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 733, 734, 735,
/
#
# 35 MET HG3 52 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
/
#
# 35 MET HN 52 ILE QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 740, 741, 742,
/
#
# 35 MET HG2 52 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
/
#
# 35 MET HB2 52 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
/
#
# 35 MET HB3 52 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
/
#
# 36 SER HB3 33 PRO HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 516, 475, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 36 SER HN 34 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 36 SER HN 34 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 36 SER HN 35 MET HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 511, 494, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 36 SER HN 35 MET HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 511, 499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 36 SER HN 35 MET HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 511, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 36 SER HN 35 MET HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 496, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 36 SER HN 35 MET HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 501, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 36 SER HN 35 MET HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 36 SER HN 35 MET QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 505, 506, 507,
/
#
# 36 SER HN 36 SER HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 36 SER HB2 36 SER HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 36 SER HN 36 SER HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 516, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 36 SER HB3 36 SER HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 516, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 36 SER HN 36 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 36 SER HN 37 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 522, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 36 SER HA 37 LEU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 37 LEU QD2 28 CY4 HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 535, 536, 537,
/
#
# 37 LEU QD1 31 CY4 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 531, 532, 533,
/
#
# 37 LEU HB2 31 CY4 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 526, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 LEU QD1 31 CY4 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 531, 532, 533,
/
#
# 37 LEU HB3 31 CY4 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 527, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 LEU HB2 31 CY4 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 526, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 LEU HB3 31 CY4 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 527, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 LEU QD1 32 PRO HD3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 531, 532, 533,
/
#
# 37 LEU QD1 35 MET HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 531, 532, 533,
/
#
# 37 LEU QD1 35 MET HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 531, 532, 533,
/
#
# 37 LEU QD2 35 MET HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 535, 536, 537,
/
#
# 37 LEU QD2 35 MET QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 535, 536, 537,
igr2= 505, 506, 507,
/
#
# 37 LEU QD1 35 MET QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 531, 532, 533,
igr2= 505, 506, 507,
/
#
# 37 LEU QD2 35 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 535, 536, 537,
/
#
# 37 LEU QD1 35 MET HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 531, 532, 533,
/
#
# 37 LEU QD1 35 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 531, 532, 533,
/
#
# 37 LEU QD1 36 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 531, 532, 533,
/
#
# 37 LEU QD2 37 LEU HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 535, 536, 537,
/
#
# 37 LEU QD1 37 LEU QD2 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 531, 532, 533,
igr2= 535, 536, 537,
/
#
# 37 LEU QD1 37 LEU HG 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 531, 532, 533,
/
#
# 37 LEU QD2 37 LEU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 535, 536, 537,
/
#
# 37 LEU QD1 37 LEU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 531, 532, 533,
/
#
# 37 LEU QD1 37 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 531, 532, 533,
/
#
# 37 LEU HB2 37 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 526, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 LEU QD2 37 LEU HG 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 535, 536, 537,
/
#
# 37 LEU QD1 37 LEU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 531, 532, 533,
/
#
# 37 LEU QD2 37 LEU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 535, 536, 537,
/
#
# 37 LEU QD2 37 LEU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 535, 536, 537,
/
#
# 37 LEU HB2 37 LEU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 37 LEU HB2 37 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 526, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 LEU HB3 37 LEU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 527, 524, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 37 LEU QD1 37 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 531, 532, 533,
/
#
# 37 LEU HB3 37 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 527, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 LEU QD1 38 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 531, 532, 533,
/
#
# 37 LEU QD2 38 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 535, 536, 537,
/
#
# 37 LEU HB2 38 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 526, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 37 LEU HB3 38 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 527, 541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 37 LEU QD2 50 THR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 535, 536, 537,
/
#
# 37 LEU QD1 50 THR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 531, 532, 533,
/
#
# 37 LEU QD1 52 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 531, 532, 533,
/
#
# 37 LEU QD2 52 ILE HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 535, 536, 537,
/
#
# 37 LEU QD1 53 HD2 HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 531, 532, 533,
/
#
# 37 LEU QD2 53 HD2 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 535, 536, 537,
/
#
# 38 ASP HB2 13 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 545, 177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 38 ASP HB2 13 CY1 HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 545, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 38 ASP HA 21 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 291, 292, 293,
/
#
# 38 ASP HA 26 TRP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 361, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 38 ASP HA 26 TRP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 365, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 38 ASP HA 26 TRP HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 366, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 38 ASP HA 27 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 543, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 38 ASP HA 27 HIE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 38 ASP HA 28 CY4 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 543, 402, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 38 ASP HN 37 LEU HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 541, 524, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 38 ASP HN 37 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 541, 522, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 38 ASP HB2 38 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 545, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 38 ASP HA 38 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 38 ASP HA 38 ASP HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 38 ASP HB3 38 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 546, 541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 38 ASP HA 38 ASP HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 38 ASP HA 39 PHE HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 553, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 38 ASP HA 39 PHE HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 557, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 38 ASP HA 39 PHE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 555, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 39 PHE HN 13 CY1 HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 179, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 39 PHE HA 13 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 555, 182, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 39 PHE HA 13 CY1 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 555, 179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 39 PHE QD 14 ASP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 561, 569,
/
#
# 39 PHE QE 14 ASP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 563, 567,
/
#
# 39 PHE QD 14 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 561, 569,
/
#
# 39 PHE QD 14 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 569,
/
#
# 39 PHE QE 14 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 567,
/
#
# 39 PHE QE 14 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 563, 567,
/
#
# 39 PHE QD 15 ASN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 561, 569,
/
#
# 39 PHE QE 15 ASN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 563, 567,
/
#
# 39 PHE QE 15 ASN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 563, 567,
/
#
# 39 PHE QE 15 ASN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 563, 567,
/
#
# 39 PHE QE 15 ASN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 563, 567,
/
#
# 39 PHE QD 15 ASN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 561, 569,
/
#
# 39 PHE QD 15 ASN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 561, 569,
/
#
# 39 PHE HN 21 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 291, 292, 293,
/
#
# 39 PHE HN 21 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 284, 285, 286,
/
#
# 39 PHE HN 21 ILE HG13 6.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 289, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 39 PHE HA 21 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 291, 292, 293,
/
#
# 39 PHE QD 21 ILE QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 561, 569,
igr2= 291, 292, 293,
/
#
# 39 PHE HB3 21 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 291, 292, 293,
/
#
# 39 PHE HB2 26 TRP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 557, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 39 PHE HN 26 TRP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 39 PHE QD 26 TRP HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 561, 569,
/
#
# 39 PHE QE 26 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 567,
/
#
# 39 PHE QD 26 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 569,
/
#
# 39 PHE QD 26 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 569,
/
#
# 39 PHE HB3 26 TRP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 558, 361, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 39 PHE HN 27 HIE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 39 PHE HN 28 CY4 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 402, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 39 PHE QD 28 CY4 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 561, 569,
/
#
# 39 PHE QE 28 CY4 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 563, 567,
/
#
# 39 PHE QE 37 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 563, 567,
igr2= 535, 536, 537,
/
#
# 39 PHE HZ 37 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 531, 532, 533,
/
#
# 39 PHE HZ 37 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 535, 536, 537,
/
#
# 39 PHE HN 38 ASP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 546, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 39 PHE HN 38 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 39 PHE HN 38 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 39 PHE QD 38 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 561, 569,
/
#
# 39 PHE HN 39 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 555, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 39 PHE QD 39 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 569,
/
#
# 39 PHE QE 39 PHE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 563, 567,
/
#
# 39 PHE QE 39 PHE HZ 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1= 563, 567,
/
#
# 39 PHE HB3 39 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 558, 565, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 39 PHE QD 39 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 561, 569,
/
#
# 39 PHE QE 39 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 563, 567,
/
#
# 39 PHE QE 39 PHE QD 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 563, 567,
igr2= 561, 569,
/
#
# 39 PHE QD 39 PHE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 561, 569,
/
#
# 39 PHE HB3 39 PHE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 558, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 39 PHE HB3 39 PHE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 558, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 39 PHE QD 39 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 569,
/
#
# 39 PHE QD 39 PHE HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 561, 569,
/
#
# 39 PHE HB2 39 PHE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 39 PHE HB2 39 PHE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 557, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 39 PHE QD 40 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 561, 569,
/
#
# 39 PHE HB2 43 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 557, 606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 39 PHE QD 43 CY1 HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 561, 569,
/
#
# 39 PHE QE 43 CY1 QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 563, 567,
igr2= 611, 610,
/
#
# 39 PHE QD 43 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 569,
/
#
# 39 PHE HB3 43 CY1 HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 558, 608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 39 PHE HB2 44 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 557, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 39 PHE HB2 44 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 39 PHE HB2 46 CYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 557, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 39 PHE HZ 48 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 565, 669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 39 PHE QE 48 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 563, 567,
/
#
# 39 PHE HZ 48 HIE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 565, 673, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 39 PHE HZ 48 HIE HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 565, 674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 39 PHE HZ 50 THR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 565, 701, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 39 PHE HB3 59 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 855, 856, 857,
/
#
# 39 PHE QE 59 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 563, 567,
igr2= 855, 856, 857,
/
#
# 39 PHE QD 59 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 561, 569,
igr2= 855, 856, 857,
/
#
# 40 CY1 HN 13 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 40 CY1 HN 13 CY1 HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 40 CY1 HN 13 CY1 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 40 CY1 HN 13 CY1 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 40 CY1 HB3 13 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 577, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HB2 13 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 578, 181, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 40 CY1 HN 18 ILE HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 230, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 40 CY1 HB2 18 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 243, 244, 245,
/
#
# 40 CY1 HN 18 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 236, 237, 238,
/
#
# 40 CY1 HA 18 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 236, 237, 238,
/
#
# 40 CY1 HN 21 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 291, 292, 293,
/
#
# 40 CY1 HA 21 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 291, 292, 293,
/
#
# 40 CY1 HN 21 ILE HG12 6.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 288, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 40 CY1 HN 21 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 284, 285, 286,
/
#
# 40 CY1 HA 21 ILE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 280, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 40 CY1 HA 21 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 284, 285, 286,
/
#
# 40 CY1 HA 21 ILE HG12 4.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 40 CY1 HA 21 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HA 22 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 575, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 40 CY1 HB2 22 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 578, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 40 CY1 HB3 22 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 577, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HA 26 TRP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 575, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 40 CY1 HA 26 TRP HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 366, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 40 CY1 HN 39 PHE HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 557, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 40 CY1 HN 39 PHE HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 555, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 40 CY1 HN 39 PHE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 40 CY1 HA 39 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HA 40 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 575, 573, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 40 CY1 HN 40 CY1 HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 577, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 40 CY1 HN 40 CY1 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 40 CY1 HA 40 CY1 HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 40 CY1 HA 40 CY1 HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 40 CY1 HA 41 ASP HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 40 CY1 HN 41 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HA 41 ASP HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 40 CY1 HA 42 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 575, 595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 40 CY1 HB3 42 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 577, 595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 40 CY1 HN 42 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 40 CY1 HB3 42 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 577, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HB2 42 SER HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 578, 599, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 40 CY1 HB2 42 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 578, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HN 43 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 606, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 40 CY1 HN 43 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HN 43 CY1 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 CY1 HN 44 SER HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 40 CY1 HN 44 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 41 ASP HN 18 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 236, 237, 238,
/
#
# 41 ASP HN 21 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 291, 292, 293,
/
#
# 41 ASP HN 21 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 284, 285, 286,
/
#
# 41 ASP HB2 21 ILE QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 284, 285, 286,
/
#
# 41 ASP HN 22 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 41 ASP HB3 24 VAL HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 588, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 41 ASP HB2 24 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 587, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 ASP HN 24 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 ASP HN 26 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 41 ASP HB3 26 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 588, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 ASP HB2 26 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 41 ASP HA 26 TRP HE1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 41 ASP HB3 40 CY1 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 588, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 41 ASP HN 40 CY1 HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 577, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 41 ASP HN 40 CY1 HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 578, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 41 ASP HB2 40 CY1 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 587, 577, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 41 ASP HN 41 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 ASP HN 41 ASP HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 41 ASP HA 41 ASP HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 41 ASP HN 41 ASP HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 41 ASP HA 41 ASP HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 588, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 41 ASP HA 42 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 585, 595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 ASP HN 42 SER HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 41 ASP HN 42 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 597, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 41 ASP HN 42 SER HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 41 ASP HB2 42 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 587, 595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 41 ASP HB3 42 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 588, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 41 ASP HA 43 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 585, 606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 41 ASP HN 43 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 42 SER HA 42 SER HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 597, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 42 SER HN 42 SER HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 595, 600, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 42 SER HA 42 SER HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 42 SER HN 42 SER HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 42 SER HA 42 SER HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 43 CY1 HA 15 ASN HD22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 608, 209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 CY1 HA 15 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 608, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 CY1 HB3 15 ASN HD22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 CY1 HB2 15 ASN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 CY1 HB3 15 ASN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 199, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 CY1 HB2 15 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 CY1 HB3 15 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 CY1 HB2 15 ASN HD22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 CY1 HB2 16 CY1 HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 43 CY1 HB3 16 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 CY1 HB3 39 PHE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 610, 555, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 43 CY1 HN 40 CY1 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 606, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 43 CY1 HN 40 CY1 HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 606, 578, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 CY1 HB3 40 CY1 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 CY1 HB3 40 CY1 HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 578, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 CY1 HN 42 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 606, 597, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 CY1 HN 42 SER HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 606, 595, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 43 CY1 HB3 42 SER HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 595, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 CY1 HN 42 SER HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 606, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 CY1 HN 42 SER HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 606, 599, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 CY1 HB2 43 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 606, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 CY1 HB3 43 CY1 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 606, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 CY1 HN 43 CY1 HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 43 CY1 HB3 43 CY1 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 43 CY1 HB2 43 CY1 HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 43 CY1 HB2 44 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 CY1 HB3 44 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 CY1 HB3 45 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 CY1 HB3 46 CYS HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 610, 639, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 43 CY1 HB2 46 CYS HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 CY1 HB2 46 CYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 43 CY1 HB2 46 CYS HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 639, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 44 SER HB2 21 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 284, 285, 286,
/
#
# 44 SER HB2 26 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 44 SER HB3 26 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 621, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 44 SER HB2 39 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 44 SER HN 40 CY1 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 44 SER HN 42 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 597, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 44 SER HN 42 SER HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 599, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 44 SER HN 42 SER HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 44 SER HN 42 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 44 SER HB2 43 CY1 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 44 SER HN 43 CY1 HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 606, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 44 SER HN 43 CY1 HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 44 SER HN 44 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 44 SER HB3 44 SER HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 621, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 44 SER HB2 44 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 620, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 44 SER HB3 44 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 621, 618, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 44 SER HB2 45 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 44 SER HB3 45 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 621, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 44 SER HN 45 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 44 SER HN 46 CYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 639, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 44 SER HB2 46 CYS HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 44 SER HB3 46 CYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 621, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 45 ASP HN 15 ASN HD22 7.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 209, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 45 ASP HN 43 CY1 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 45 ASP HN 43 CY1 HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 45 ASP HB3 45 ASP HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 632, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 45 ASP HN 45 ASP HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 45 ASP HB2 45 ASP HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 45 ASP HB3 45 ASP HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 632, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 45 ASP HN 45 ASP HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 45 ASP HN 46 CYS HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 627, 639, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 45 ASP HN 46 CYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 45 ASP HN 46 CYS HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 627, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 46 CYS HB3 15 ASN HD22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 46 CYS HB2 15 ASN HD22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 46 CYS HB3 15 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 46 CYS HB2 15 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 46 CYS HN 43 CY1 HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 639, 608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 CYS HB3 43 CY1 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 644, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 46 CYS HB2 43 CY1 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 643, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 46 CYS HN 45 ASP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 639, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 CYS HN 45 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 639, 632, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 46 CYS HN 46 CYS HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 639, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 46 CYS HN 46 CYS HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 46 CYS HB2 46 CYS HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 46 CYS HN 46 CYS HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 639, 641, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 46 CYS HB3 46 CYS HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 644, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 46 CYS HN 47 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 639, 650, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 46 CYS HN 47 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 46 CYS HN 47 LEU QQD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 46 CYS HB3 47 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 644, 650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 CYS HB2 47 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 CYS HA 47 LEU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 641, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 46 CYS HA 47 LEU HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 641, 655, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 46 CYS HA 47 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 641, 654, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 47 LEU HN 47 LEU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 47 LEU HN 47 LEU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 47 LEU HN 47 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 47 LEU HB3 47 LEU HG 2.80
&rst
ixpk= 0, nxpk= 0, iat= 655, 657, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 47 LEU HA 47 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 47 LEU HB3 47 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 47 LEU HN 47 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 47 LEU HA 47 LEU HG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 47 LEU HA 47 LEU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 47 LEU HA 47 LEU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 47 LEU HB2 47 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 47 LEU HN 47 LEU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 650, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 47 LEU HA 48 HIE HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 673, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 47 LEU HA 48 HIE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 47 LEU QQD 55 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 659, 660, 661, 663, 664, 665,
/
#
# 47 LEU HA 55 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 652, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 47 LEU HB3 55 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 655, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 47 LEU HB3 55 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 655, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 47 LEU HB2 55 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 47 LEU HB2 55 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 48 HIE HD2 37 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 531, 532, 533,
/
#
# 48 HIE HN 47 LEU HA 2.50 ---> 3.5
&rst
ixpk= 0, nxpk= 0, iat= 669, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 48 HIE HN 47 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 650, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 48 HIE HN 47 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 48 HIE HN 47 LEU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 48 HIE HN 47 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 669, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 48 HIE HN 47 LEU QQD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 48 HIE HA 47 LEU QQD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 48 HIE HA 47 LEU HA 4.50 --> 5.0
&rst
ixpk= 0, nxpk= 0, iat= 671, 652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 48 HIE HN 48 HIE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 671, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 48 HIE HN 48 HIE HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 48 HIE HA 48 HIE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 671, 674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 48 HIE HN 48 HIE HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 669, 674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 48 HIE HD2 48 HIE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 682, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 48 HIE HD2 48 HIE HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 682, 674, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 48 HIE HA 48 HIE HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 671, 673, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 48 HIE HN 49 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 48 HIE HN 49 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 48 HIE HA 49 GLU HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 671, 686, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 49 GLU HG3 47 LEU QQD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 49 GLU HG3 47 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 694, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 49 GLU HG2 47 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 49 GLU HN 48 HIE HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 686, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 49 GLU HN 48 HIE HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 686, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 49 GLU HA 49 GLU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 688, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 49 GLU HN 49 GLU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 49 GLU HN 49 GLU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 686, 691, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 49 GLU HG3 49 GLU HG2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 694, 693, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 49 GLU HG2 49 GLU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 693, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 49 GLU HG3 49 GLU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 694, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 49 GLU HG3 49 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 694, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 49 GLU HA 49 GLU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 688, 691, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 49 GLU HA 49 GLU HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 49 GLU HA 49 GLU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 688, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 49 GLU HG2 49 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 49 GLU HA 49 GLU HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 688, 694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 49 GLU HN 49 GLU HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 686, 693, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 49 GLU HN 49 GLU HG3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 686, 694, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 49 GLU HA 50 THR HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 688, 701, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 49 GLU HA 50 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 688, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 49 GLU HB2 51 ASP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 717, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 49 GLU HA 53 HD2 HD2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 688, 759, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 50 THR QG2 35 MET QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 707, 708, 709,
igr2= 505, 506, 507,
/
#
# 50 THR QG2 37 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 707, 708, 709,
igr2= 535, 536, 537,
/
#
# 50 THR QG2 37 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 707, 708, 709,
igr2= 531, 532, 533,
/
#
# 50 THR QG2 39 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 48 HIE HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 48 HIE HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 48 HIE HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 707, 708, 709,
/
#
# 50 THR HN 49 GLU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 691, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 50 THR HN 49 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 50 THR HN 49 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 50 THR QG2 49 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 49 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 49 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 691, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 49 GLU HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 707, 708, 709,
/
#
# 50 THR HN 49 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 50 THR HN 49 GLU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 50 THR QG2 50 THR HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 707, 708, 709,
/
#
# 50 THR HN 50 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 50 THR QG2 50 THR HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 707, 708, 709,
/
#
# 50 THR HN 51 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 50 THR QG2 51 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 707, 708, 709,
/
#
# 50 THR HN 52 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 50 THR HN 52 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 50 THR QG2 52 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 707, 708, 709,
/
#
# 50 THR HN 53 HD2 HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 50 THR HN 53 HD2 HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 701, 746, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 50 THR QG2 53 HD2 HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 53 HD2 HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 53 HD2 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 707, 708, 709,
/
#
# 50 THR QG2 53 HD2 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 707, 708, 709,
/
#
# 50 THR HN 54 LYS HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 50 THR HN 54 LYS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 50 THR HN 54 LYS HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 774, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 50 THR HN 54 LYS HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 777, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 51 ASP HN 50 THR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 715, 703, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 51 ASP HA 51 ASP HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 717, 719, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 51 ASP HN 51 ASP HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 715, 717, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 51 ASP HN 51 ASP HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 715, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 51 ASP HA 51 ASP HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 717, 720, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 51 ASP HN 51 ASP HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 715, 720, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 51 ASP HN 52 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 715, 729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 51 ASP HN 52 ILE QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 740, 741, 742,
/
#
# 51 ASP HN 52 ILE HG13 6.00
&rst
ixpk= 0, nxpk= 0, iat= 715, 738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 51 ASP HN 52 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 715, 731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 51 ASP HB2 52 ILE HG12 6.50
&rst
ixpk= 0, nxpk= 0, iat= 719, 737, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 51 ASP HB3 52 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 720, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 51 ASP HB3 52 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
/
#
# 51 ASP HB2 52 ILE HG13 6.00
&rst
ixpk= 0, nxpk= 0, iat= 719, 738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 51 ASP HB3 52 ILE HG13 6.50
&rst
ixpk= 0, nxpk= 0, iat= 720, 738, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 51 ASP HA 52 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 717, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 51 ASP HB2 52 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 740, 741, 742,
/
#
# 52 ILE QD1 32 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 740, 741, 742,
/
#
# 52 ILE HG12 32 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 737, 455, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 52 ILE HG12 32 PRO HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 737, 456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 52 ILE QG2 32 PRO HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 733, 734, 735,
/
#
# 52 ILE QD1 32 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 740, 741, 742,
/
#
# 52 ILE QG2 32 PRO HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 733, 734, 735,
/
#
# 52 ILE HN 35 MET HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 727, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 52 ILE HG12 35 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 505, 506, 507,
/
#
# 52 ILE QG2 35 MET HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 733, 734, 735,
/
#
# 52 ILE QG2 35 MET HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 733, 734, 735,
/
#
# 52 ILE HG13 35 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 505, 506, 507,
/
#
# 52 ILE QD1 35 MET QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 740, 741, 742,
igr2= 505, 506, 507,
/
#
# 52 ILE HN 35 MET QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 505, 506, 507,
/
#
# 52 ILE QG2 35 MET HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 733, 734, 735,
/
#
# 52 ILE HB 35 MET QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 505, 506, 507,
/
#
# 52 ILE QG2 35 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 733, 734, 735,
/
#
# 52 ILE HN 50 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 727, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 52 ILE HN 51 ASP HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 727, 715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 52 ILE HN 51 ASP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 727, 717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 52 ILE HN 51 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 727, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 52 ILE QG2 51 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 733, 734, 735,
/
#
# 52 ILE QG2 51 ASP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 733, 734, 735,
/
#
# 52 ILE HA 51 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 729, 719, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 52 ILE HN 51 ASP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 727, 720, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 52 ILE HN 52 ILE HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 52 ILE HN 52 ILE HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 727, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 52 ILE HN 52 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 740, 741, 742,
/
#
# 52 ILE HN 52 ILE HG12 4.00
&rst
ixpk= 0, nxpk= 0, iat= 727, 737, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 52 ILE HN 52 ILE HG13 4.00
&rst
ixpk= 0, nxpk= 0, iat= 727, 738, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 52 ILE HB 52 ILE HG13 3.50
&rst
ixpk= 0, nxpk= 0, iat= 731, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 52 ILE HA 52 ILE HG12 3.50
&rst
ixpk= 0, nxpk= 0, iat= 729, 737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 52 ILE HA 52 ILE HG13 4.50
&rst
ixpk= 0, nxpk= 0, iat= 729, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 52 ILE QD1 52 ILE HG13 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 740, 741, 742,
/
#
# 52 ILE QG2 52 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 733, 734, 735,
igr2= 740, 741, 742,
/
#
# 52 ILE HB 52 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 740, 741, 742,
/
#
# 52 ILE QG2 52 ILE HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 733, 734, 735,
/
#
# 52 ILE HA 52 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 740, 741, 742,
/
#
# 52 ILE HN 52 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 733, 734, 735,
/
#
# 52 ILE QD1 52 ILE HG12 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 740, 741, 742,
/
#
# 52 ILE QG2 52 ILE HG13 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 733, 734, 735,
/
#
# 52 ILE HA 52 ILE HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 729, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 52 ILE HB 52 ILE HG12 3.50
&rst
ixpk= 0, nxpk= 0, iat= 731, 737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 52 ILE QG2 52 ILE HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 733, 734, 735,
/
#
# 52 ILE HN 54 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 727, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 52 ILE HN 54 LYS HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 727, 771, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 52 ILE QG2 54 LYS HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 733, 734, 735,
/
#
# 53 HD2 HA 31 CY4 HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 53 HD2 HN 35 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 505, 506, 507,
/
#
# 53 HD2 HB3 35 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 505, 506, 507,
/
#
# 53 HD2 HB2 35 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 505, 506, 507,
/
#
# 53 HD2 HB2 37 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 53 HD2 HD2 37 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 535, 536, 537,
/
#
# 53 HD2 HB3 37 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 535, 536, 537,
/
#
# 53 HD2 HB3 37 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 751, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HB2 37 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 531, 532, 533,
/
#
# 53 HD2 HB3 37 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 531, 532, 533,
/
#
# 53 HD2 HB2 37 LEU HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 527, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 53 HD2 HB2 37 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 535, 536, 537,
/
#
# 53 HD2 HB2 37 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 53 HD2 HB3 37 LEU HB2 5.00 --> 5.50
&rst
ixpk= 0, nxpk= 0, iat= 751, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 53 HD2 HD2 48 HIE HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 759, 682, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HD2 48 HIE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 759, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 53 HD2 HD2 50 THR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 759, 701, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 HD2 HB3 50 THR HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 751, 701, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 53 HD2 HN 50 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HB2 50 THR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 701, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 HD2 HN 51 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 HD2 HA 52 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HB3 52 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 751, 727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 HD2 HN 52 ILE HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 746, 727, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 53 HD2 HN 52 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 731, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 HD2 HN 52 ILE HG12 5.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 737, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HN 52 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 746, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 53 HD2 HN 52 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 HD2 HN 52 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 733, 734, 735,
/
#
# 53 HD2 HA 52 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 733, 734, 735,
/
#
# 53 HD2 HB3 52 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 733, 734, 735,
/
#
# 53 HD2 HN 52 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 740, 741, 742,
/
#
# 53 HD2 HB2 52 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HB2 52 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 53 HD2 HB3 52 ILE HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 751, 731, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 53 HD2 HB2 53 HD2 HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 750, 746, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 53 HD2 HD2 53 HD2 HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 759, 751, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 HD2 HA 53 HD2 HE1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 756, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 53 HD2 HD2 53 HD2 HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 759, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HB3 53 HD2 HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 751, 746, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 53 HD2 HB3 53 HD2 HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 751, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 53 HD2 HB2 53 HD2 HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 53 HD2 HN 53 HD2 HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 HD2 HN 54 LYS HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 770, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HN 54 LYS HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 53 HD2 HN 54 LYS HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 777, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 HD2 HA 54 LYS HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 53 HD2 HA 54 LYS HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 770, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 54 LYS HA 49 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 765, 686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 54 LYS HD2 49 GLU HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 773, 694, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HD2 49 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 773, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HD3 49 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HG3 49 GLU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 771, 690, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HG2 49 GLU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 770, 690, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HB3 49 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HA 49 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 765, 693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 54 LYS HA 49 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 765, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HB3 49 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HB2 49 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HE2 51 ASP HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 776, 717, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HE3 51 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 777, 717, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HE2 52 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 776, 729, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HG3 52 ILE HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 771, 729, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HE3 52 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 777, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HA 53 HD2 HD2 5.00 --> 5,5
&rst
ixpk= 0, nxpk= 0, iat= 765, 759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HD2 54 LYS HE3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 773, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HG2 54 LYS HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 770, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HG3 54 LYS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 771, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HG3 54 LYS HE3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 771, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HG2 54 LYS HD2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 770, 773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HG2 54 LYS HE2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 770, 776, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HG2 54 LYS HE3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 770, 777, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HB3 54 LYS HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HB3 54 LYS HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HG3 54 LYS HE2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 771, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HD2 54 LYS HE2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 773, 776, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HA 54 LYS HD3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 765, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HA 54 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 765, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HA 54 LYS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HG3 54 LYS HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 771, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HD3 54 LYS HE2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HD3 54 LYS HE3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 777, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HB2 54 LYS HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HB3 54 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HB3 54 LYS HE2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 776, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HB3 54 LYS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HA 54 LYS HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 765, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HB2 54 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HB3 54 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HB2 54 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HB3 54 LYS HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HB2 54 LYS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 765, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HA 54 LYS HE3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 765, 777, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HB2 55 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 767, 785, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 54 LYS HB3 55 GLU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 54 LYS HA 55 GLU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 765, 790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 54 LYS HA 55 GLU HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 765, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 54 LYS HG3 56 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 771, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 54 LYS HB2 56 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HB3 56 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 768, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HG2 56 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 770, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 LYS HB2 56 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 767, 802, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 54 LYS HB3 56 ASP HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 768, 804, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 54 LYS HB2 56 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 804, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HA 56 ASP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 765, 800, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 LYS HB2 57 HD2 HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 767, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 54 LYS HB3 57 HD2 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 768, 812, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 GLU HA 47 LEU QQD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 55 GLU HN 47 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 55 GLU HB2 47 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 789, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 55 GLU HA 47 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLU HA 48 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 787, 669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLU HA 49 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLU HN 49 GLU HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 694, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 55 GLU HA 49 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 694, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLU HN 49 GLU HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 785, 693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 55 GLU HN 54 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 785, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLU HN 54 LYS HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 774, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 GLU HN 54 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 785, 770, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLU HN 54 LYS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 GLU HA 54 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLU HN 55 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 785, 790, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 55 GLU HN 55 GLU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 785, 789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 55 GLU HA 55 GLU HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 787, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 55 GLU QG 55 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 792, 793,
/
#
# 55 GLU QG 55 GLU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 792, 793,
/
#
# 55 GLU HA 55 GLU HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 787, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 55 GLU HA 55 GLU HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 787, 790, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 55 GLU HN 55 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 793, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 GLU HA 55 GLU HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 793, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 55 GLU HN 55 GLU HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 792, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 55 GLU HA 55 GLU HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 55 GLU HN 56 ASP HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 785, 800, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 55 GLU HA 56 ASP HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 55 GLU HA 56 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLU HG3 56 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 793, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLU HA 57 HD2 HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 56 ASP HN 47 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 659, 660, 661, 663, 664, 665,
/
#
# 56 ASP HN 54 LYS HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 800, 773, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 56 ASP HN 54 LYS HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 800, 774, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 56 ASP HN 55 GLU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 790, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 56 ASP HN 55 GLU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 56 ASP HN 55 GLU HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 56 ASP HN 55 GLU HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 793, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 56 ASP HN 56 ASP HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 56 ASP HN 56 ASP HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 56 ASP HA 56 ASP HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 802, 804, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 56 ASP HA 56 ASP HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 802, 805, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 56 ASP HN 56 ASP HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 800, 802, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 57 HD2 HE1 28 CY4 HN 6.00 --> 6.5 --> 7.0
&rst
ixpk= 0, nxpk= 0, iat= 822, 402, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 57 HD2 HA 29 GLN HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 814, 412, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 57 HD2 HE1 37 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 531, 532, 533,
/
#
# 57 HD2 HD2 54 LYS HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 825, 767, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 HD2 HD2 54 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 57 HD2 HN 55 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 812, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 57 HD2 HN 55 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 812, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 57 HD2 HN 55 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 812, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 57 HD2 HD2 55 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 57 HD2 HD2 56 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 825, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 HD2 HB3 56 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 817, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 HD2 HB2 56 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 816, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 57 HD2 HN 56 ASP HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 812, 800, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 57 HD2 HN 56 ASP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 805, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 57 HD2 HN 56 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 804, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 57 HD2 HA 56 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 814, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 57 HD2 HN 56 ASP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 802, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 57 HD2 HB2 56 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 816, 805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 57 HD2 HB2 56 ASP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 816, 804, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 57 HD2 HD2 57 HD2 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 825, 812, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 57 HD2 HN 57 HD2 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 812, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 57 HD2 HN 57 HD2 HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 812, 816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 57 HD2 HN 57 HD2 HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 HD2 HD2 57 HD2 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 57 HD2 HE1 57 HD2 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 822, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 57 HD2 HA 57 HD2 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 814, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 57 HD2 HD2 58 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 825, 829, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 HD2 HN 59 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 855, 856, 857,
/
#
# 57 HD2 HE1 59 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 855, 856, 857,
/
#
# 58 GLN HN 28 CY4 HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 58 GLN HN 29 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HN 29 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 58 GLN HN 30 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HN 30 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HN 30 ASP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HN 57 HD2 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 829, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 58 GLN HN 57 HD2 HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HN 57 HD2 HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 829, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 58 GLN HN 57 HD2 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 812, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HE22 58 GLN HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 842, 837, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HE22 58 GLN HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 842, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HE22 58 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 842, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 58 GLN HN 58 GLN HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 829, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 58 GLN HN 58 GLN HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 GLN HN 58 GLN QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 833, 834,
/
#
# 58 GLN HN 58 GLN HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 58 GLN HG2 58 GLN QB 2.80
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 833, 834,
/
#
# 58 GLN HG2 58 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 836, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 58 GLN HG3 58 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 837, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 58 GLN HN 59 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 58 GLN HN 59 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 855, 856, 857,
/
#
# 59 LEU QD1 26 TRP HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 855, 856, 857,
/
#
# 59 LEU HB3 26 TRP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 851, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 59 LEU QD1 26 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 26 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 855, 856, 857,
/
#
# 59 LEU HB3 26 TRP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 851, 365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 59 LEU HB2 26 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 850, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU HB2 26 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 850, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU HA 27 HIE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 848, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 59 LEU QD1 27 HIE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 855, 856, 857,
/
#
# 59 LEU HB3 27 HIE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 851, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 59 LEU QD1 27 HIE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 855, 856, 857,
/
#
# 59 LEU HB2 27 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 59 LEU HA 28 CY4 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 848, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 59 LEU QD1 28 CY4 HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 29 GLN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 855, 856, 857,
/
#
# 59 LEU HB3 29 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 851, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 59 LEU HA 29 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 848, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 59 LEU HA 29 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU HA 29 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU QD1 30 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 31 CY4 HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 37 LEU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 37 LEU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 38 ASP HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 39 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 39 PHE HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 855, 856, 857,
/
#
# 59 LEU HB3 39 PHE QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 561, 569,
/
#
# 59 LEU HB2 39 PHE QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 561, 569,
/
#
# 59 LEU QD1 44 SER HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 53 HD2 HE1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 855, 856, 857,
/
#
# 59 LEU HN 57 HD2 HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 846, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 59 LEU QD1 57 HD2 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 57 HD2 HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 855, 856, 857,
/
#
# 59 LEU HN 58 GLN HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 846, 831, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 59 LEU QD1 58 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 855, 856, 857,
/
#
# 59 LEU QD1 58 GLN HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 855, 856, 857,
/
#
# 59 LEU HG 58 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 853, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU HN 58 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 846, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU HB3 58 GLN HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 851, 831, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 59 LEU HA 58 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU HB2 58 GLN HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 850, 831, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 59 LEU HN 58 GLN QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 833, 834,
/
#
# 59 LEU HA 59 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 59 LEU HN 59 LEU HG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 846, 853, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 59 LEU QD1 59 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 855, 856, 857,
/
#
# 59 LEU HB3 59 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 851, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 59 LEU HB3 59 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 851, 853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 59 LEU QD1 59 LEU HG 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 855, 856, 857,
/
#
# 59 LEU HB2 59 LEU HG 2.80
&rst
ixpk= 0, nxpk= 0, iat= 850, 853, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 59 LEU HA 59 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 59 LEU HB2 59 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 855, 856, 857,
/
#
# 59 LEU HB3 59 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 851, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 59 LEU HB2 59 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 59 LEU QD1 59 LEU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 855, 856, 857,
/
#
# 59 LEU HB2 59 LEU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 850, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 59 LEU HB3 59 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 855, 856, 857,
/
#
# 59 LEU QD1 60 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 855, 856, 857,
/
#
# 59 LEU HB2 60 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 59 LEU HB3 60 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 851, 865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 59 LEU HA 60 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU HA 60 GLU HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 865, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 59 LEU HA 60 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 59 LEU HA 60 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 60 GLU HN 27 HIE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 865, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 60 GLU HG3 27 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 873, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 60 GLU HN 27 HIE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 865, 387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 60 GLU HG2 29 GLN HE22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 872, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 60 GLU HG2 29 GLN HE21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 872, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 60 GLU HN 59 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 865, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 60 GLU HG2 59 LEU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 872, 848, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 60 GLU HG2 60 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 872, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 60 GLU HN 60 GLU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 865, 870, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 60 GLU HG3 60 GLU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 869, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 60 GLU HG2 60 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 872, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 60 GLU HG2 60 GLU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 872, 869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 60 GLU HG3 60 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 873, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 60 GLU HN 60 GLU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 865, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 60 GLU HB2 60 GLU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 869, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 60 GLU HG3 60 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 60 GLU HG2 60 GLU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 872, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 60 GLU HN 60 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 865, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 60 GLU HG3 60 GLU HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 60 GLU HB3 60 GLU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 870, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 60 GLU HG3 61 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 60 GLU HG3 61 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 873, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 60 GLU HG2 61 PRO HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 872, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 60 GLU HG2 61 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 872, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 60 GLU HG2 62 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 907, 908, 909,
/
#
# 60 GLU HG3 62 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 907, 908, 909,
/
#
# 61 PRO HA 25 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 890, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 PRO HB2 25 ARG HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 887, 337, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 61 PRO HG2 26 TRP HH2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 376, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 61 PRO HG3 26 TRP HZ3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 885, 378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 61 PRO HB2 26 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 887, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 61 PRO HG2 26 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HA 26 TRP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 890, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 61 PRO HB2 26 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 887, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HB3 26 TRP HZ3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 888, 378, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 61 PRO HD3 27 HIE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 882, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 61 PRO HA 27 HIE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 890, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 61 PRO HD3 60 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 882, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 PRO HD2 60 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 881, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 PRO HG2 60 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 61 PRO HG3 60 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HD2 60 GLU HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 881, 867, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 61 PRO HD2 60 GLU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 881, 870, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 PRO HD3 60 GLU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 61 PRO HD2 60 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 881, 869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HA 60 GLU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 890, 867, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 61 PRO HD3 60 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HG2 61 PRO HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 61 PRO HG3 61 PRO HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 61 PRO HB2 61 PRO HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 887, 890, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 61 PRO HG3 61 PRO HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 61 PRO HG3 61 PRO HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 61 PRO HG2 61 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HG3 61 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HB3 61 PRO HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 888, 890, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 61 PRO HG2 61 PRO HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 61 PRO HB3 61 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 888, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HG2 61 PRO HD2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 881, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 61 PRO HG2 61 PRO HD3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 61 PRO HB2 61 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 887, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HG3 61 PRO HD3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 885, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 61 PRO HB2 61 PRO HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 887, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 61 PRO HB3 61 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 888, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HA 62 ILE HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 890, 894, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 61 PRO HG3 62 ILE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 885, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 61 PRO HB3 62 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 888, 894, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 61 PRO HB2 62 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 887, 894, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 61 PRO HA 62 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 890, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 61 PRO HA 62 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 890, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 62 ILE HN 25 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 894, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 62 ILE HA 25 ARG HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 896, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 62 ILE HG12 25 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 62 ILE HG12 27 HIE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 904, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 62 ILE HG13 27 HIE HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 389, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 62 ILE HG12 27 HIE HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 904, 389, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 62 ILE HG13 27 HIE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 905, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 62 ILE QD1 27 HIE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 907, 908, 909,
/
#
# 62 ILE HG12 27 HIE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 62 ILE HG13 27 HIE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 62 ILE HG13 60 GLU HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 865, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 62 ILE HG13 60 GLU HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 872, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 62 ILE QD1 60 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 907, 908, 909,
/
#
# 62 ILE HG12 60 GLU HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 872, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 62 ILE QD1 60 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 907, 908, 909,
/
#
# 62 ILE HG13 60 GLU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 869, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 62 ILE QD1 60 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 907, 908, 909,
/
#
# 62 ILE HG13 60 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 62 ILE HG12 60 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 62 ILE HG12 61 PRO HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 890, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 62 ILE HG13 61 PRO HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 890, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 62 ILE HA 62 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 896, 894, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 62 ILE HN 62 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 900, 901, 902,
/
#
# 62 ILE HN 62 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 907, 908, 909,
/
#
# 62 ILE HN 62 ILE HB 2.80
&rst
ixpk= 0, nxpk= 0, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 62 ILE HG13 62 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 894, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 62 ILE HG12 62 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 894, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 62 ILE HG13 62 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 900, 901, 902,
/
#
# 62 ILE HG12 62 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 907, 908, 909,
/
#
# 62 ILE HB 62 ILE QG2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 900, 901, 902,
/
#
# 62 ILE HG13 62 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 907, 908, 909,
/
#
# 62 ILE HG12 62 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 900, 901, 902,
/
#
# 62 ILE QD1 62 ILE QG2 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 907, 908, 909,
igr2= 900, 901, 902,
/
#
# 62 ILE HG12 62 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 62 ILE HA 62 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 900, 901, 902,
/
#
# 62 ILE HA 62 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 907, 908, 909,
/
#
# 62 ILE HG13 62 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 62 ILE HA 62 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 896, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 62 ILE QD1 62 ILE HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 907, 908, 909,
/
#
# 62 ILE HG13 62 ILE HB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 62 ILE HG12 62 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 62 ILE HG13 63 TYR HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 62 ILE HG12 63 TYR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 904, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 62 ILE HA 64 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 896, 934, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 62 ILE HN 64 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 894, 934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 62 ILE QG2 64 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 900, 901, 902,
/
#
# 62 ILE QG2 64 ARG HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 900, 901, 902,
/
#
# 62 ILE QG2 64 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 900, 901, 902,
/
#
# 62 ILE QG2 64 ARG HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 900, 901, 902,
/
#
# 62 ILE QG2 64 ARG HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 900, 901, 902,
/
#
# 62 ILE QD1 64 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 907, 908, 909,
/
#
# 63 TYR QD 3 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 921, 930,
igr2= 34, 35, 36, 38, 39, 40,
/
#
# 63 TYR HA 3 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 38, 39, 40,
/
#
# 63 TYR HB2 3 LEU QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 34, 35, 36,
/
#
# 63 TYR HB3 3 LEU QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 34, 35, 36,
/
#
# 63 TYR HA 3 LEU HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 915, 30, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 63 TYR HA 3 LEU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 915, 29, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 63 TYR QE 6 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 928,
igr2= 72, 73, 74,
/
#
# 63 TYR QD 6 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 921, 930,
igr2= 72, 73, 74,
/
#
# 63 TYR QD 24 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 921, 930,
/
#
# 63 TYR QE 24 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 923, 928,
/
#
# 63 TYR QD 24 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 921, 930,
igr2= 331, 332, 333,
/
#
# 63 TYR HA 24 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 915, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 63 TYR QD 24 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 921, 930,
igr2= 327, 328, 329,
/
#
# 63 TYR QD 24 VAL HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 921, 930,
/
#
# 63 TYR QE 24 VAL HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 923, 928,
/
#
# 63 TYR HB3 25 ARG HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 918, 337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 63 TYR HA 25 ARG HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 915, 337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 63 TYR QE 61 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 923, 928,
/
#
# 63 TYR QD 61 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 921, 930,
/
#
# 63 TYR QE 61 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 923, 928,
/
#
# 63 TYR QE 61 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 923, 928,
/
#
# 63 TYR QE 61 PRO HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 923, 928,
/
#
# 63 TYR HN 62 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 907, 908, 909,
/
#
# 63 TYR HA 62 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 915, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 63 TYR QD 62 ILE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 921, 930,
/
#
# 63 TYR HN 62 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 913, 898, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 63 TYR HN 62 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 900, 901, 902,
/
#
# 63 TYR QD 62 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 921, 930,
/
#
# 63 TYR HB3 62 ILE QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 900, 901, 902,
/
#
# 63 TYR HA 62 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 900, 901, 902,
/
#
# 63 TYR HN 62 ILE HA 2.50
&rst
ixpk= 0, nxpk= 0, iat= 913, 896, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 63 TYR HB2 62 ILE QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 900, 901, 902,
/
#
# 63 TYR HB2 62 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 917, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 63 TYR HB3 62 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 918, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 63 TYR HB3 63 TYR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 918, 913, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 63 TYR QE 63 TYR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 923, 928,
/
#
# 63 TYR QD 63 TYR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 921, 930,
/
#
# 63 TYR QE 63 TYR HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 923, 928,
/
#
# 63 TYR QD 63 TYR HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 921, 930,
/
#
# 63 TYR QD 63 TYR HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 921, 930,
/
#
# 63 TYR QD 63 TYR QE 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 921, 930,
igr2= 923, 928,
/
#
# 63 TYR QE 63 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 923, 928,
/
#
# 63 TYR QE 63 TYR HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 923, 928,
/
#
# 63 TYR HB2 63 TYR HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 917, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 63 TYR HB3 63 TYR HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 918, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 63 TYR HA 63 TYR HN 2.80
&rst
ixpk= 0, nxpk= 0, iat= 915, 913, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 63 TYR QD 63 TYR HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 921, 930,
/
#
# 63 TYR HB2 63 TYR HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 917, 913, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 63 TYR HN 64 ARG HN 2.50
&rst
ixpk= 0, nxpk= 0, iat= 913, 934, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, /
#
# 63 TYR HA 64 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 915, 934, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 63 TYR HB2 64 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 917, 934, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 63 TYR QD 64 ARG HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 921, 930,
/
#
# 63 TYR HN 64 ARG HG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 913, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 63 TYR HN 64 ARG HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 913, 939, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 63 TYR HB2 64 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 917, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 63 TYR HB3 64 ARG HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 918, 942, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 63 TYR HB3 64 ARG HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 918, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 63 TYR HA 64 ARG HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 915, 941, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 64 ARG HN 62 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 898, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 64 ARG HN 62 ILE QG2 2.80
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 900, 901, 902,
/
#
# 64 ARG HN 64 ARG HA 2.80
&rst
ixpk= 0, nxpk= 0, iat= 934, 936, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, /
#
# 64 ARG HN 64 ARG HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 64 ARG HN 64 ARG HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 64 ARG HN 64 ARG HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 64 ARG HG3 64 ARG HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 942, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 64 ARG HG3 64 ARG HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 942, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 64 ARG QD 64 ARG HG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 944, 945,
/
#
# 64 ARG QD 64 ARG HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 944, 945,
/
#
# 64 ARG QD 64 ARG HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 944, 945,
/
#
# 64 ARG HA 64 ARG HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 64 ARG HA 64 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 64 ARG HG2 64 ARG HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 941, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 64 ARG HN 64 ARG HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 64 ARG HG2 64 ARG HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 941, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 64 ARG HA 64 ARG HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 64 ARG HN 64 ARG QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 944, 945,
/
#
# 64 ARG HA 64 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 941, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 64 ARG QD 64 ARG HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 944, 945,
/
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