NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
17107 |
2b9k   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 10 GLY HA2 10 GLY HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 148, 146, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 10 GLY HA3 10 GLY HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 146, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 ASN HA 11 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 155, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 ASN HB2 11 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 ASN HB2 11 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 ASN HB3 11 ASN HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 ASN QB 11 ASN HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 157, 158,
&end
#
# 11 ASN HB3 11 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 158, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 ASN QB 11 ASN HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 157, 158,
&end
#
# 12 PHE HA 12 PHE HB2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 PHE HA 12 PHE HB3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 169, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 PHE HA 12 PHE QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 175, 183,
&end
#
# 12 PHE QB 12 PHE QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 171, 172,
igr2= 175, 183,
&end
#
# 12 PHE QB 12 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 171, 172,
&end
#
# 12 PHE QD 12 PHE QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 175, 183,
igr2= 177, 181,
&end
#
# 12 PHE QD 12 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 175, 183,
&end
#
# 13 ALA HA 13 ALA QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 191, 192, 193,
&end
#
# 14 ALA HA 14 ALA QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 201, 202, 203,
&end
#
# 14 ALA HA 14 ALA HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 ALA QB 14 ALA HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 201, 202, 203,
&end
#
# 15 SER HA 15 SER QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 211, 212,
&end
#
# 15 SER HA 15 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 209, 207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 SER QB 15 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 211, 212,
&end
#
# 16 PHE HA 16 PHE QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 222, 223,
&end
#
# 16 PHE HA 16 PHE HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 PHE QB 16 PHE QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 222, 223,
igr2= 226, 234,
&end
#
# 16 PHE QB 16 PHE QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 222, 223,
igr2= 228, 232,
&end
#
# 16 PHE QB 16 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 222, 223,
&end
#
# 16 PHE QE 16 PHE QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 228, 232,
igr2= 226, 234,
&end
#
# 17 VAL HA 17 VAL HB 1.8 3.20
&rst
ixpk= 0, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.60, &end
#
# 17 VAL HA 17 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 VAL HB 17 VAL HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 VAL QG1 17 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 244, 245, 246,
&end
#
# 17 VAL QG1 17 VAL HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 244, 245, 246,
&end
#
# 17 VAL QG 17 VAL HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG2 17 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 248, 249, 250,
&end
#
# 17 VAL QG2 17 VAL HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 248, 249, 250,
&end
#
# 18 LEU HA 18 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 258, 259,
&end
#
# 18 LEU HA 18 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LEU QB 18 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 258, 259,
&end
#
# 18 LEU QD 18 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 18 LEU QD 18 LEU QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 263, 264, 265, 267, 268, 269,
igr2= 258, 259,
&end
#
# 19 ASP HA 19 ASP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 277, 278,
&end
#
# 19 ASP HA 19 ASP HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 275, 273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 ASP HB2 19 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ASP HB3 19 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 278, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 ALA HA 1 ALA QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 8, 9, 10,
&end
#
# 20 GLY QA 20 GLY HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 287, 288,
&end
#
# 21 THR HA 21 THR HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 THR HA 21 THR QG2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 298, 299, 300,
&end
#
# 21 THR HA 21 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 294, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 THR HB 21 THR QG2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 298, 299, 300,
&end
#
# 21 THR HB 21 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 296, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 THR QG2 21 THR HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 298, 299, 300,
&end
#
# 22 LYS HB2 22 LYS QG 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 313, 314,
&end
#
# 22 LYS HB3 22 LYS QG 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 313, 314,
&end
#
# 22 LYS QB 22 LYS HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 310, 311,
&end
#
# 22 LYS QB 22 LYS QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 310, 311,
igr2= 316, 317,
&end
#
# 22 LYS QB 22 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 310, 311,
&end
#
# 22 LYS QD 22 LYS QE 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 316, 317,
igr2= 319, 320,
&end
#
# 22 LYS QE 22 LYS HD2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 319, 320,
&end
#
# 22 LYS QE 22 LYS HD3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 319, 320,
&end
#
# 22 LYS HG2 22 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 313, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LYS QG 22 LYS QE 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 313, 314,
igr2= 319, 320,
&end
#
# 22 LYS HG3 22 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LYS QG 22 LYS HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 313, 314,
&end
#
# 22 LYS QG 22 LYS QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 313, 314,
igr2= 310, 311,
&end
#
# 22 LYS QG 22 LYS QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 313, 314,
igr2= 316, 317,
&end
#
# 22 LYS QG 22 LYS QZ 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 313, 314,
igr2= 322, 323, 324,
&end
#
# 22 LYS HN 22 LYS HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TRP QB 23 TRP HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 332, 333,
&end
#
# 23 TRP QB 23 TRP HE3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 23 TRP QB 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 23 TRP HD1 23 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 23 TRP HD1 23 TRP HE1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 336, 338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TRP HE1 23 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 338, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TRP HE1 23 TRP HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 338, 328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TRP HE1 23 TRP HZ2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 338, 341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TRP HE3 23 TRP HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 330, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TRP HH2 23 TRP HZ2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TRP HN 23 TRP HD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 328, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HZ3 23 TRP HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 330, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TRP HZ3 23 TRP QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 332, 333,
&end
#
# 24 ILE HA 24 ILE HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 354, 356, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ILE HA 24 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 354, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ILE HB 24 ILE QG2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 358, 359, 360,
&end
#
# 24 ILE HB 24 ILE HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 356, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ILE QD1 24 ILE HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 365, 366, 367,
&end
#
# 24 ILE QD1 24 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 365, 366, 367,
&end
#
# 24 ILE QG1 24 ILE HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 362, 363,
&end
#
# 24 ILE QG1 24 ILE QG2 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 362, 363,
igr2= 358, 359, 360,
&end
#
# 24 ILE QG1 24 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 362, 363,
&end
#
# 24 ILE QG2 24 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 358, 359, 360,
&end
#
# 24 ILE QG2 24 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 358, 359, 360,
&end
#
# 24 ILE QG2 24 ILE HG12 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 358, 359, 360,
&end
#
# 24 ILE QG2 24 ILE HG13 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 358, 359, 360,
&end
#
# 25 PHE HA 25 PHE QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 379, 387,
&end
#
# 25 PHE HA 25 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 PHE HB2 25 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 375, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 PHE HB3 25 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 376, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 PHE QB 25 PHE HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 375, 376,
&end
#
# 25 PHE QB 25 PHE QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 375, 376,
igr2= 379, 387,
&end
#
# 25 PHE QD 25 PHE QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 379, 387,
igr2= 381, 385,
&end
#
# 25 PHE QD 25 PHE HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 379, 387,
&end
#
# 25 PHE QE 25 PHE QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 381, 385,
igr2= 375, 376,
&end
#
# 26 LYS HA 26 LYS QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 395, 396,
&end
#
# 26 LYS HB2 26 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LYS HB3 26 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 396, 391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LYS QB 26 LYS QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 395, 396,
igr2= 404, 405,
&end
#
# 26 LYS QD 26 LYS QE 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 401, 402,
igr2= 404, 405,
&end
#
# 26 LYS QE 26 LYS HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 404, 405,
&end
#
# 27 SER HA 27 SER QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 417, 418,
&end
#
# 27 SER HA 27 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 415, 413, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 SER QB 27 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 417, 418,
&end
#
# 28 LYS HA 28 LYS HB2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 428, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 LYS HA 28 LYS HB3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 LYS HA 28 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LYS QB 28 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 428, 429,
&end
#
# 29 TYR HA 29 TYR QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 450, 451,
&end
#
# 29 TYR HA 29 TYR HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 448, 446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 TYR HB2 29 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR HB3 29 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 451, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR QD 29 TYR HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 454, 463,
&end
#
# 29 TYR QD 29 TYR HB2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 454, 463,
&end
#
# 29 TYR QD 29 TYR HB3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 454, 463,
&end
#
# 29 TYR QD 29 TYR QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 454, 463,
igr2= 456, 461,
&end
#
# 29 TYR HN 29 TYR QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 454, 463,
&end
#
# 2 ILE HA 2 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 16, 18, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ILE HA 2 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 16, 14, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ILE HB 2 ILE QG2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 20, 21, 22,
&end
#
# 2 ILE HB 2 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 18, 14, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ILE QG2 2 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 16, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 20, 21, 22,
&end
#
# 2 ILE QG2 2 ILE QG1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 20, 21, 22,
igr2= 24, 25,
&end
#
# 2 ILE QG2 2 ILE HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 20, 21, 22,
&end
#
# 2 ILE QG1 2 ILE HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 24, 25,
&end
#
# 2 ILE HN 2 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 27, 28, 29,
&end
#
# 30 TYR HA 30 TYR QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 471, 472,
&end
#
# 30 TYR HA 30 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 TYR HB2 30 TYR QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 475, 484,
&end
#
# 30 TYR HB2 30 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 477, 482,
&end
#
# 30 TYR HB3 30 TYR QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 475, 484,
&end
#
# 30 TYR HB3 30 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 477, 482,
&end
#
# 30 TYR QB 30 TYR HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 471, 472,
&end
#
# 30 TYR QD 30 TYR HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 475, 484,
&end
#
# 30 TYR QD 30 TYR QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 475, 484,
igr2= 477, 482,
&end
#
# 30 TYR QD 30 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 475, 484,
&end
#
# 31 ASP HA 31 ASP QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 490, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 492, 493,
&end
#
# 31 ASP HA 31 ASP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 490, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ASP QB 31 ASP HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 492, 493,
&end
#
# 32 SER HA 32 SER QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 504, 505,
&end
#
# 32 SER HA 32 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 32 SER QB 32 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 504, 505,
&end
#
# 33 SER HA 33 SER QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 515, 516,
&end
#
# 31 ASP HB2 33 SER HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 492, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ASP HB3 33 SER HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 SER HA 33 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 SER QB 33 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 515, 516,
&end
#
# 34 LYS HA 34 LYS QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 526, 527,
&end
#
# 34 LYS HA 34 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 LYS QB 34 LYS QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 526, 527,
igr2= 535, 536,
&end
#
# 34 LYS QB 34 LYS QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 526, 527,
igr2= 529, 530,
&end
#
# 34 LYS QB 34 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 526, 527,
&end
#
# 34 LYS QD 34 LYS HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 532, 533,
&end
#
# 34 LYS QD 34 LYS QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 532, 533,
igr2= 526, 527,
&end
#
# 34 LYS QD 34 LYS QE 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 532, 533,
igr2= 535, 536,
&end
#
# 35 GLY HA2 35 GLY HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 GLY HA3 35 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 547, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 TYR HA 36 TYR QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 555, 556,
&end
#
# 36 TYR HA 36 TYR QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 559, 568,
&end
#
# 36 TYR HA 36 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 553, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 TYR QB 36 TYR QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 555, 556,
igr2= 559, 568,
&end
#
# 36 TYR QD 36 TYR QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 559, 568,
igr2= 561, 566,
&end
#
# 36 TYR QE 36 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 561, 566,
igr2= 555, 556,
&end
#
# 37 TRP HA 37 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 576, 577,
&end
#
# 37 TRP HA 37 TRP HE3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 574, 591, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 TRP QB 37 TRP HD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 37 TRP QB 37 TRP HE3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 37 TRP QB 37 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 37 TRP HD1 37 TRP HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 580, 572, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 TRP HE1 37 TRP HD1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 TRP HE1 37 TRP HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 582, 572, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 TRP HE3 37 TRP HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 591, 572, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 TRP HE3 37 TRP HZ3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 591, 589, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 TRP HH2 37 TRP HZ2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 587, 585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 TRP HZ2 37 TRP HE1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 585, 582, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 TRP HZ3 37 TRP QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 576, 577,
&end
#
# 37 TRP HZ3 37 TRP HH2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 589, 587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 VAL HA 38 VAL HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 598, 596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 VAL HB 38 VAL HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 600, 598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 VAL HB 38 VAL HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 600, 596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 VAL QG 38 VAL HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 602, 603, 604, 606, 607, 608,
&end
#
# 38 VAL QG 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 602, 603, 604, 606, 607, 608,
&end
#
# 39 GLY QA 39 GLY HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 614, 615,
&end
#
# 3 LYS QD 3 LYS QZ 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 43, 44,
igr2= 49, 50, 51,
&end
#
# 3 LYS QG 3 LYS HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 40, 41,
&end
#
# 40 ILE HA 40 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 621, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 ILE HA 40 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 621, 619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 ILE HB 40 ILE HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 623, 619, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 ILE QD1 40 ILE HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 632, 633, 634,
&end
#
# 40 ILE QG1 40 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 629, 630,
&end
#
# 40 ILE QG1 40 ILE QD1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 629, 630,
igr2= 632, 633, 634,
&end
#
# 40 ILE QG1 40 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 629, 630,
&end
#
# 41 TYR HA 41 TYR QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 642, 643,
&end
#
# 41 TYR HA 41 TYR QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 646, 655,
&end
#
# 41 TYR HA 41 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 640, 638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 TYR HB2 41 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 648, 653,
&end
#
# 41 TYR HB3 41 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 648, 653,
&end
#
# 41 TYR QB 41 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 642, 643,
&end
#
# 41 TYR QD 41 TYR QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 646, 655,
igr2= 642, 643,
&end
#
# 41 TYR QD 41 TYR QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 646, 655,
igr2= 648, 653,
&end
#
# 41 TYR QD 41 TYR HH 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 646, 655,
&end
#
# 41 TYR QE 41 TYR HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 648, 653,
&end
#
# 41 TYR QE 41 TYR HH 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 648, 653,
&end
#
# 42 GLU HA 42 GLU QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 663, 664,
&end
#
# 42 GLU HA 42 GLU QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 666, 667,
&end
#
# 42 GLU HA 42 GLU HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 661, 659, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 GLU HB2 42 GLU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 663, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HB3 42 GLU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 664, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HG2 42 GLU HB2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 666, 663, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 GLU HG2 42 GLU HB3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 666, 664, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 GLU HG3 42 GLU HB2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 667, 663, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 GLU HG3 42 GLU HB3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 667, 664, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 GLU QG 42 GLU HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 666, 667,
&end
#
# 43 VAL HA 43 VAL HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 676, 678, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 VAL HA 43 VAL QG1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 680, 681, 682,
&end
#
# 43 VAL HA 43 VAL QG2 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 684, 685, 686,
&end
#
# 43 VAL HA 43 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 676, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 VAL HB 43 VAL QG1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 680, 681, 682,
&end
#
# 43 VAL HB 43 VAL QG2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 684, 685, 686,
&end
#
# 43 VAL HB 43 VAL HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 678, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 43 VAL QG 43 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 680, 681, 682, 684, 685, 686,
&end
#
# 44 TRP HA 44 TRP QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 694, 695,
&end
#
# 44 TRP HA 44 TRP HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 692, 690, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 TRP HB2 44 TRP HE3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 694, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 TRP HB3 44 TRP HE3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 695, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 TRP QB 44 TRP HD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 694, 695,
&end
#
# 44 TRP QB 44 TRP HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 694, 695,
&end
#
# 44 TRP QB 44 TRP HZ3 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 694, 695,
&end
#
# 44 TRP HD1 44 TRP HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 698, 692, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 TRP HD1 44 TRP HE1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 TRP HE1 44 TRP HZ2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 700, 703, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 TRP HE3 44 TRP HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 709, 692, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 TRP HE3 44 TRP HZ3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 709, 707, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 TRP HN 44 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 709, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HZ2 44 TRP HH2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 703, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 ASP HA 45 ASP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 718, 719,
&end
#
# 45 ASP HA 45 ASP HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 716, 714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 ASP HB2 45 ASP HN 1.8 3.70
&rst
ixpk= 0, nxpk= 0, iat= 718, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 ASP HB3 45 ASP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 719, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ARG HA 46 ARG HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 728, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ARG HB2 46 ARG HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 730, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 ARG HB3 46 ARG HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 731, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 ARG QB 46 ARG QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 730, 731,
igr2= 736, 737,
&end
#
# 46 ARG QB 46 ARG HE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 730, 731,
&end
#
# 46 ARG QB 46 ARG HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 730, 731,
&end
#
# 46 ARG QD 46 ARG QG 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 736, 737,
igr2= 733, 734,
&end
#
# 46 ARG HE 46 ARG QD 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 736, 737,
&end
#
# 46 ARG HE 46 ARG QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 46 ARG QG 46 ARG HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 733, 734,
&end
#
# 47 LYS HA 47 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 752, 750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 LYS QB 47 LYS HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 754, 755,
&end
#
# 47 LYS QG 47 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 757, 758,
&end
#
# 47 LYS HN 47 LYS QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 754, 755,
&end
#
# 5 VAL HA 5 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 76, 78, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 VAL HA 5 VAL QG1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 80, 81, 82,
&end
#
# 5 VAL HA 5 VAL QG2 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 84, 85, 86,
&end
#
# 5 VAL HB 5 VAL QG1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 80, 81, 82,
&end
#
# 5 VAL HB 5 VAL QG2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 84, 85, 86,
&end
#
# 6 GLN HA 6 GLN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 94, 95,
&end
#
# 6 GLN HA 6 GLN QE2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 102, 103,
&end
#
# 6 GLN HA 6 GLN QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 97, 98,
&end
#
# 6 GLN HA 6 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 92, 90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLN QB 6 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 94, 95,
&end
#
# 6 GLN QG 6 GLN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 97, 98,
igr2= 94, 95,
&end
#
# 6 GLN QG 6 GLN QE2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 97, 98,
igr2= 102, 103,
&end
#
# 6 GLN QG 6 GLN HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 97, 98,
&end
#
# 7 SER HA 7 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 109, 107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 SER QB 7 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 111, 112,
&end
#
# 7 SER QB 7 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 111, 112,
&end
#
# 8 PRO HA 8 PRO QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 125, 126,
&end
#
# 8 PRO QB 8 PRO HD2 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 125, 126,
&end
#
# 8 PRO QB 8 PRO HD3 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 125, 126,
&end
#
# 8 PRO HD2 8 PRO HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 119, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 PRO HD3 8 PRO HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 120, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 PRO QG 8 PRO HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 122, 123,
&end
#
# 8 PRO QG 8 PRO QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 122, 123,
igr2= 125, 126,
&end
#
# 8 PRO QG 8 PRO HD2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 122, 123,
&end
#
# 8 PRO QG 8 PRO HD3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 120, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 122, 123,
&end
#
# 9 ASN HA 9 ASN QD2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 141, 142,
&end
#
# 9 ASN HA 9 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 134, 132, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASN QB 9 ASN HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 136, 137,
&end
#
# 9 ASN QB 9 ASN HD21 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 136, 137,
&end
#
# 9 ASN QB 9 ASN HD22 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 136, 137,
&end
#
# 9 ASN HB2 9 ASN QD2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 141, 142,
&end
#
# 9 ASN HB3 9 ASN QD2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 141, 142,
&end
#
# 9 ASN QB 9 ASN HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 136, 137,
&end
#
# 9 ASN HN 9 ASN QD2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 141, 142,
&end
#
# 10 GLY HA2 11 ASN HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 148, 155, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 GLY HA2 11 ASN HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 GLY HA3 11 ASN HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 GLY HN 11 ASN HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 146, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLY HN 11 ASN HN 3.0 3.5
&rst
ixpk= 0, nxpk= 0, iat= 146, 153, r1= 2.50, r2= 3.00, r3= 3.50, r4= 4.00, &end
#
# 11 ASN HA 12 PHE HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 155, 167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 ASN HB2 12 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 157, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 ASN HB3 12 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 PHE HA 14 ALA HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 169, 197, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 PHE QB 13 ALA HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 171, 172,
&end
#
# 12 PHE QB 14 ALA QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 171, 172,
igr2= 201, 202, 203,
&end
#
# 12 PHE QD 13 ALA HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 175, 183,
&end
#
# 12 PHE QD 14 ALA QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 175, 183,
igr2= 201, 202, 203,
&end
#
# 12 PHE QE 13 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 177, 181,
&end
#
# 12 PHE HN 13 ALA HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 167, 187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 ALA HA 15 SER HN 1.8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 189, 207, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 13 ALA QB 14 ALA HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 191, 192, 193,
&end
#
# 13 ALA QB 15 SER HA 1.8 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 191, 192, 193,
&end
#
# 13 ALA QB 15 SER HN 1.8 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 191, 192, 193,
&end
#
# 13 ALA HN 14 ALA HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 ALA HA 15 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ALA QB 15 SER HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 201, 202, 203,
&end
#
# 14 ALA QB 15 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 201, 202, 203,
&end
#
# 14 ALA HN 15 SER HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 197, 209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ALA HN 15 SER HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 197, 207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 SER HA 16 PHE HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 SER HA 16 PHE QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 222, 223,
&end
#
# 15 SER HA 16 PHE HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 218, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 SER QB 16 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 211, 212,
&end
#
# 15 SER HN 16 PHE HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 207, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 SER HN 16 PHE QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 222, 223,
&end
#
# 15 SER HN 16 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 207, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 PHE HA 17 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 PHE HA 17 VAL QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 244, 245, 246, 248, 249, 250,
&end
#
# 16 PHE HA 17 VAL HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 PHE QB 17 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 222, 223,
igr2= 244, 245, 246, 248, 249, 250,
&end
#
# 16 PHE QB 17 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 222, 223,
&end
#
# 16 PHE QD 17 VAL HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 226, 234,
&end
#
# 16 PHE QD 17 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 226, 234,
&end
#
# 16 PHE QD 18 LEU QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 226, 234,
igr2= 258, 259,
&end
#
# 16 PHE QD 18 LEU QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 226, 234,
igr2= 263, 264, 265, 267, 268, 269,
&end
#
# 16 PHE QD 18 LEU HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 226, 234,
&end
#
# 16 PHE QE 18 LEU QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 228, 232,
igr2= 258, 259,
&end
#
# 16 PHE QE 18 LEU HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 228, 232,
&end
#
# 16 PHE HN 17 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL HA 18 LEU HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 VAL HA 20 GLY HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 VAL HA 21 THR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 VAL HA 22 LYS HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 VAL HA 22 LYS QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 310, 311,
&end
#
# 17 VAL HA 22 LYS QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 313, 314,
&end
#
# 17 VAL HA 22 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 VAL QG 18 LEU HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG 18 LEU HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG 19 ASP HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG 20 GLY QA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 244, 245, 246, 248, 249, 250,
igr2= 287, 288,
&end
#
# 17 VAL QG 20 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG 21 THR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG 21 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG 22 LYS HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG 22 LYS QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 244, 245, 246, 248, 249, 250,
igr2= 310, 311,
&end
#
# 17 VAL QG 22 LYS QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 244, 245, 246, 248, 249, 250,
igr2= 319, 320,
&end
#
# 17 VAL QG 22 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL HN 18 LEU HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 238, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HA 19 ASP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 256, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LEU HA 21 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 256, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 LEU HA 23 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 256, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HA 23 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 256, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU QB 19 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 258, 259,
&end
#
# 18 LEU QB 21 THR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 258, 259,
&end
#
# 18 LEU QB 23 TRP HE1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 258, 259,
&end
#
# 18 LEU QD1 23 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 263, 264, 265,
&end
#
# 18 LEU QD2 23 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 267, 268, 269,
&end
#
# 18 LEU QD 19 ASP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 263, 264, 265, 267, 268, 269,
igr2= 277, 278,
&end
#
# 18 LEU QD 19 ASP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 18 LEU QD 23 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 18 LEU QD 23 TRP HZ2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 263, 264, 265, 267, 268, 269,
&end
#
# 18 LEU HN 19 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HN 20 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HN 21 THR HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, 296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HN 21 THR QG2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 298, 299, 300,
&end
#
# 18 LEU HN 21 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LEU HN 22 LYS HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 254, 308, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 LEU HN 23 TRP HD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 LEU HN 23 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ASP HA 20 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ASP QB 21 THR HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 277, 278,
&end
#
# 19 ASP HN 20 GLY QA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 287, 288,
&end
#
# 19 ASP HN 20 GLY HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 273, 285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 ASP HN 21 THR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, 292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 ALA QB 2 ILE HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 14, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 8, 9, 10,
&end
#
# 20 GLY QA 21 THR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 287, 288,
&end
#
# 20 GLY QA 21 THR QG2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 287, 288,
igr2= 298, 299, 300,
&end
#
# 20 GLY QA 21 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 287, 288,
&end
#
# 20 GLY HN 21 THR HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 285, 292, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 THR HA 22 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 THR HA 23 TRP HD1 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 THR HA 23 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 THR HB 22 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 THR HB 23 TRP HD1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 THR HB 23 TRP HE1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 THR HB 23 TRP HZ2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 341, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 THR QG2 22 LYS QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 298, 299, 300,
igr2= 310, 311,
&end
#
# 21 THR QG2 22 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 298, 299, 300,
&end
#
# 21 THR QG2 23 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 298, 299, 300,
&end
#
# 21 THR QG2 23 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 298, 299, 300,
&end
#
# 21 THR QG2 23 TRP HH2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 298, 299, 300,
&end
#
# 21 THR QG2 23 TRP HZ2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 298, 299, 300,
&end
#
# 21 THR HN 22 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 THR HN 23 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 THR HN 23 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LYS HA 23 TRP HD1 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 308, 336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 LYS HA 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 308, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 LYS QB 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 310, 311,
&end
#
# 22 LYS QD 23 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 316, 317,
&end
#
# 22 LYS QG 23 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 313, 314,
&end
#
# 22 LYS HN 23 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 306, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LYS HN 23 TRP HE1 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 306, 338, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 LYS HN 23 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 306, 328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TRP HA 24 ILE QG2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 358, 359, 360,
&end
#
# 23 TRP HA 24 ILE HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 330, 352, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TRP HB2 24 ILE HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 332, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TRP HB3 24 ILE HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 333, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TRP QB 24 ILE QG2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 332, 333,
igr2= 358, 359, 360,
&end
#
# 23 TRP QB 24 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 23 TRP HD1 24 ILE HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 336, 352, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TRP HE3 24 ILE HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 TRP HN 24 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 328, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE HA 25 PHE QD 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 379, 387,
&end
#
# 24 ILE HA 25 PHE HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 354, 371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ILE HB 25 PHE HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 356, 371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ILE QG2 25 PHE QB 1.8 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 358, 359, 360,
igr2= 375, 376,
&end
#
# 24 ILE QG2 25 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 358, 359, 360,
&end
#
# 24 ILE QG2 26 LYS HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 358, 359, 360,
&end
#
# 24 ILE QG1 25 PHE HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 362, 363,
&end
#
# 24 ILE QG1 25 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 362, 363,
&end
#
# 24 ILE HN 25 PHE HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE HN 25 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 PHE HA 26 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 373, 391, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 PHE HA 27 SER HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 373, 413, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 PHE HB2 26 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 375, 391, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 PHE HB3 26 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 PHE QD 26 LYS HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 393, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 387,
&end
#
# 25 PHE QD 26 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 379, 387,
&end
#
# 25 PHE QD 28 LYS QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 379, 387,
igr2= 428, 429,
&end
#
# 25 PHE QE 27 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 381, 385,
&end
#
# 25 PHE QE 27 SER QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 381, 385,
igr2= 417, 418,
&end
#
# 25 PHE QE 28 LYS QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 381, 385,
igr2= 428, 429,
&end
#
# 25 PHE QE 28 LYS HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 381, 385,
&end
#
# 26 LYS HA 27 SER HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 393, 413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 LYS QB 27 SER QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 395, 396,
igr2= 417, 418,
&end
#
# 26 LYS QB 27 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 395, 396,
&end
#
# 26 LYS QD 27 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 401, 402,
&end
#
# 26 LYS HN 27 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 391, 413, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 SER HA 28 LYS HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 415, 426, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 SER HA 28 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 415, 424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 SER QB 28 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 417, 418,
&end
#
# 27 SER QB 29 TYR QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 417, 418,
igr2= 450, 451,
&end
#
# 28 LYS HA 29 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LYS HA 29 TYR HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 LYS QB 29 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 428, 429,
igr2= 450, 451,
&end
#
# 28 LYS QB 29 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 428, 429,
&end
#
# 28 LYS HN 29 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LYS HN 29 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR HA 30 TYR QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 471, 472,
&end
#
# 29 TYR HA 30 TYR HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 TYR HB2 30 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR HB3 30 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 451, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR QB 30 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 450, 451,
&end
#
# 29 TYR QB 30 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 450, 451,
igr2= 471, 472,
&end
#
# 29 TYR QD 30 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 454, 463,
&end
#
# 29 TYR QD 30 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 454, 463,
&end
#
# 29 TYR QD 31 ASP HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 454, 463,
&end
#
# 29 TYR QD 31 ASP QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 454, 463,
igr2= 492, 493,
&end
#
# 29 TYR QD 31 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 454, 463,
&end
#
# 29 TYR QE 31 ASP QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 456, 461,
igr2= 492, 493,
&end
#
# 29 TYR QE 31 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 456, 461,
&end
#
# 29 TYR QE 32 SER HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 461,
&end
#
# 29 TYR HN 30 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR HN 30 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ILE HA 3 LYS HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 16, 35, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ILE HA 3 LYS QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 16, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 37, 38,
&end
#
# 2 ILE HB 3 LYS HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 18, 35, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ILE QG2 3 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 20, 21, 22,
&end
#
# 30 TYR HA 31 ASP HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HA 31 ASP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 TYR HB2 31 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HB3 31 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR QD 31 ASP HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 475, 484,
&end
#
# 30 TYR QD 32 SER HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 475, 484,
&end
#
# 30 TYR QD 32 SER HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 475, 484,
&end
#
# 30 TYR QE 31 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 477, 482,
&end
#
# 30 TYR QE 32 SER HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 477, 482,
&end
#
# 30 TYR QE 35 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 477, 482,
&end
#
# 30 TYR HN 31 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ASP HA 32 SER HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ASP HA 32 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 490, 500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 ASP QB 32 SER HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 492, 493,
&end
#
# 31 ASP QB 33 SER QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 492, 493,
igr2= 515, 516,
&end
#
# 31 ASP QB 34 LYS QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 492, 493,
igr2= 526, 527,
&end
#
# 31 ASP QB 36 TYR QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 492, 493,
igr2= 559, 568,
&end
#
# 31 ASP QB 36 TYR QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 492, 493,
igr2= 561, 566,
&end
#
# 31 ASP QB 36 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 492, 493,
&end
#
# 31 ASP HN 32 SER HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ASP HN 36 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 559, 568,
&end
#
# 31 ASP HN 36 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 SER HA 33 SER HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 SER HA 33 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 502, 511, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 SER HA 34 LYS HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 522, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 SER HA 35 GLY HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 32 SER HN 35 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 500, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 SER HA 34 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 513, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 SER HA 35 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 513, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 SER QB 34 LYS QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 515, 516,
igr2= 526, 527,
&end
#
# 33 SER QB 34 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 515, 516,
&end
#
# 33 SER HN 34 LYS QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 526, 527,
&end
#
# 33 SER HN 34 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 522, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 33 SER HN 35 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LYS HA 35 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 524, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 LYS HB2 35 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 526, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LYS HB2 36 TYR QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 559, 568,
&end
#
# 34 LYS HB2 36 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 566,
&end
#
# 34 LYS HB3 35 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 527, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LYS HB3 36 TYR QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 559, 568,
&end
#
# 34 LYS HB3 36 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 566,
&end
#
# 34 LYS QB 36 TYR QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 526, 527,
igr2= 555, 556,
&end
#
# 34 LYS QB 36 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 526, 527,
&end
#
# 34 LYS HN 35 GLY HA2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 522, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 LYS HN 35 GLY HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 GLY HA2 36 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 546, 553, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 GLY HA2 36 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 546, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 GLY HA3 36 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 GLY QA 36 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 546, 547,
igr2= 559, 568,
&end
#
# 35 GLY HN 36 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 566,
&end
#
# 35 GLY HN 36 TYR HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 TYR HA 37 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 TYR HA 37 TRP HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 553, 572, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 TYR QB 37 TRP HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 555, 556,
&end
#
# 36 TYR QB 38 VAL HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 555, 556,
&end
#
# 36 TYR QD 37 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 559, 568,
&end
#
# 36 TYR QD 38 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 559, 568,
&end
#
# 36 TYR QD 38 VAL QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 559, 568,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 36 TYR QD 38 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 559, 568,
&end
#
# 36 TYR QE 38 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 561, 566,
&end
#
# 36 TYR HN 37 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 551, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 TRP HA 38 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 574, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 TRP HA 38 VAL QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 37 TRP HA 38 VAL HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 574, 596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 TRP QB 38 VAL HB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 576, 577,
&end
#
# 37 TRP QB 38 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 37 TRP QB 39 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 576, 577,
&end
#
# 37 TRP HE3 38 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 591, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 TRP HE3 39 GLY QA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 614, 615,
&end
#
# 37 TRP HN 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 572, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 TRP HZ3 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 589, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 VAL HA 39 GLY QA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 598, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 614, 615,
&end
#
# 38 VAL HA 39 GLY HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 598, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 VAL HB 39 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 VAL QG 39 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 602, 603, 604, 606, 607, 608,
&end
#
# 39 GLY QA 40 ILE QG1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 614, 615,
igr2= 629, 630,
&end
#
# 39 GLY QA 40 ILE HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 614, 615,
&end
#
# 39 GLY QA 41 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 614, 615,
igr2= 646, 655,
&end
#
# 39 GLY QA 44 TRP HZ3 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 614, 615,
&end
#
# 39 GLY HN 40 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 GLY HN 44 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 LYS HA 4 LEU QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 59, 60,
&end
#
# 3 LYS HA 4 LEU HG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 35, 62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 LYS HA 4 LEU HN 1.8 2.7
&rst
ixpk= 0, nxpk= 0, iat= 35, 55, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 LYS HB3 4 LEU HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 38, 55, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 LYS HB2 4 LEU HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 37, 55, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 LYS QB 4 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 37, 38,
&end
#
# 3 LYS QB 5 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 37, 38,
&end
#
# 3 LYS HN 4 LEU HG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 33, 62, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HA 41 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 621, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ILE HA 41 TYR QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 642, 643,
&end
#
# 40 ILE HA 41 TYR QD 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 646, 655,
&end
#
# 40 ILE HA 41 TYR HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 621, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 ILE HB 41 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 623, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ILE QG2 41 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 40 ILE HN 41 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 619, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ILE HN 41 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 646, 655,
&end
#
# 41 TYR HA 42 GLU HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 TYR HA 43 VAL HB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 640, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 TYR QB 42 GLU HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 642, 643,
&end
#
# 41 TYR QB 42 GLU HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 642, 643,
&end
#
# 41 TYR QB 43 VAL QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 642, 643,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 41 TYR QD 42 GLU HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 646, 655,
&end
#
# 41 TYR QD 43 VAL HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 646, 655,
&end
#
# 41 TYR QD 43 VAL HB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 646, 655,
&end
#
# 41 TYR QD 43 VAL QG1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 646, 655,
igr2= 680, 681, 682,
&end
#
# 41 TYR QD 43 VAL QG2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 646, 655,
igr2= 684, 685, 686,
&end
#
# 41 TYR QD 43 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 646, 655,
&end
#
# 41 TYR QD 44 TRP HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 646, 655,
&end
#
# 42 GLU HA 43 VAL HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 661, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU HA 43 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 42 GLU HA 43 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 661, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HB2 43 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 663, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU HB3 43 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 664, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU QB 43 VAL QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 663, 664,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 42 GLU QG 43 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 666, 667,
&end
#
# 42 GLU QG 43 VAL QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 666, 667,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 42 GLU QG 43 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 666, 667,
&end
#
# 42 GLU HN 43 VAL HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 659, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLU HN 43 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 659, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 GLU HN 43 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 659, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 VAL HA 44 TRP HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 676, 692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 VAL HA 44 TRP QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 694, 695,
&end
#
# 43 VAL HA 44 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 676, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 VAL HB 44 TRP QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 694, 695,
&end
#
# 43 VAL HB 44 TRP HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 678, 690, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 43 VAL QG 44 TRP QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 680, 681, 682, 684, 685, 686,
igr2= 694, 695,
&end
#
# 43 VAL QG 44 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 680, 681, 682, 684, 685, 686,
&end
#
# 43 VAL QG 44 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 680, 681, 682, 684, 685, 686,
&end
#
# 43 VAL QG 45 ASP HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 680, 681, 682, 684, 685, 686,
&end
#
# 43 VAL QG 45 ASP QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 680, 681, 682, 684, 685, 686,
igr2= 718, 719,
&end
#
# 43 VAL QG 45 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 680, 681, 682, 684, 685, 686,
&end
#
# 43 VAL HN 44 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 674, 690, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HA 45 ASP HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 692, 714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 TRP HB2 45 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 694, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HB3 45 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 695, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP QB 46 ARG HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 694, 695,
&end
#
# 44 TRP HD1 45 ASP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 718, 719,
&end
#
# 44 TRP HD1 45 ASP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 698, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 TRP HD1 46 ARG HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 698, 728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HD1 46 ARG QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 730, 731,
&end
#
# 44 TRP HD1 46 ARG HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 698, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 TRP HE1 45 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 700, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HE1 46 ARG HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 700, 728, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 TRP HE1 46 ARG QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 730, 731,
&end
#
# 44 TRP HE1 46 ARG HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 700, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HE1 47 LYS HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 700, 752, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HE1 47 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 700, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HH2 46 ARG HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 705, 728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HN 45 ASP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 TRP HZ2 46 ARG HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 703, 728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 ASP HA 46 ARG HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 716, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 ASP QB 46 ARG HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 718, 719,
&end
#
# 45 ASP QB 47 LYS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 718, 719,
&end
#
# 45 ASP HN 46 ARG HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 714, 726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ARG HA 47 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 728, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ARG QB 47 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 730, 731,
&end
#
# 46 ARG HN 47 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 726, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LEU HA 5 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 57, 78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HB2 5 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 59, 74, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HB3 5 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 60, 74, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 LEU QD 5 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 64, 65, 66, 68, 69, 70,
&end
#
# 5 VAL HA 6 GLN HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 76, 92, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 VAL HA 6 GLN HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 76, 90, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 VAL HB 6 GLN HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 78, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 VAL QG 6 GLN HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 92, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 6 GLN HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 7 SER HB2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 7 SER HB3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 7 SER HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 6 GLN HA 7 SER HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN HA 7 SER QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 111, 112,
&end
#
# 6 GLN HA 7 SER HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 107, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 GLN QB 7 SER HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 94, 95,
&end
#
# 6 GLN HN 7 SER HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 90, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 SER HA 10 GLY HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 109, 146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 SER HA 8 PRO HD2 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 109, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 SER HA 8 PRO HD3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 109, 120, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 SER HA 8 PRO QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 122, 123,
&end
#
# 7 SER HA 9 ASN HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 109, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 SER HB2 9 ASN HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 111, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 SER HB3 9 ASN HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 112, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 SER QB 10 GLY HA3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 111, 112,
&end
#
# 7 SER QB 10 GLY HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 111, 112,
&end
#
# 7 SER QB 11 ASN HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 111, 112,
&end
#
# 7 SER QB 8 PRO QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 111, 112,
igr2= 119, 120,
&end
#
# 7 SER HN 8 PRO HD2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 107, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 SER HN 8 PRO HD3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 107, 120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 PRO HA 10 GLY HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 PRO HA 9 ASN HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 132, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 PRO QB 9 ASN HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 125, 126,
&end
#
# 8 PRO QB 9 ASN QD2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 125, 126,
igr2= 141, 142,
&end
#
# 8 PRO QB 9 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 125, 126,
&end
#
# 8 PRO QD 9 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 119, 120,
&end
#
# 8 PRO QD 10 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 119, 120,
&end
#
# 8 PRO QD 9 ASN QD2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 119, 120,
igr2= 141, 142,
&end
#
# 8 PRO QG 9 ASN QD2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 122, 123,
igr2= 141, 142,
&end
#
# 8 PRO QG 9 ASN HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 122, 123,
&end
#
# 9 ASN HA 10 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 134, 146, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ASN HA 11 ASN HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 134, 153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ASN QB 10 GLY HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 136, 137,
&end
#
# 9 ASN QB 11 ASN HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 136, 137,
&end
#
# 9 ASN HN 10 GLY HA2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 132, 148, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 GLY HA2 37 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 576, 577,
&end
#
# 10 GLY HA2 37 TRP HE1 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 148, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 GLY HA2 37 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 148, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 GLY HA3 37 TRP QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 576, 577,
&end
#
# 10 GLY HA3 37 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 GLY HA3 37 TRP HE1 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 GLY HA3 38 VAL HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 596, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 GLY HA3 44 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 GLY HN 37 TRP QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 576, 577,
&end
#
# 10 GLY HN 37 TRP HE1 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 146, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 GLY HN 37 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 146, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 ASN QB 44 TRP HZ2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 157, 158,
&end
#
# 12 PHE HA 41 TYR QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 648, 653,
&end
#
# 12 PHE HA 41 TYR HH 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 169, 651, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 PHE HA 44 TRP HE3 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 169, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 PHE QB 41 TYR HH 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 171, 172,
&end
#
# 12 PHE QB 25 PHE QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 171, 172,
igr2= 379, 387,
&end
#
# 12 PHE QB 25 PHE QE 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 171, 172,
igr2= 381, 385,
&end
#
# 12 PHE QB 41 TYR QD 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 171, 172,
igr2= 646, 655,
&end
#
# 12 PHE QB 41 TYR QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 171, 172,
igr2= 648, 653,
&end
#
# 12 PHE QD 25 PHE QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 175, 183,
igr2= 375, 376,
&end
#
# 12 PHE QD 25 PHE QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 175, 183,
igr2= 379, 387,
&end
#
# 12 PHE QD 25 PHE QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 175, 183,
igr2= 381, 385,
&end
#
# 12 PHE QD 28 LYS QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 175, 183,
igr2= 428, 429,
&end
#
# 12 PHE QD 41 TYR QE 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 175, 183,
igr2= 648, 653,
&end
#
# 12 PHE QD 41 TYR HH 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 175, 183,
&end
#
# 12 PHE HN 41 TYR HH 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 167, 651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ALA QB 41 TYR HH 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 191, 192, 193,
&end
#
# 13 ALA HN 41 TYR QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 646, 655,
&end
#
# 13 ALA HN 41 TYR HH 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 187, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ALA HA 24 ILE HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 ALA HA 25 PHE HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ALA HA 25 PHE QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 375, 376,
&end
#
# 14 ALA HA 25 PHE QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 379, 387,
&end
#
# 14 ALA HA 25 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 199, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ALA HA 41 TYR QE 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 653,
&end
#
# 14 ALA HA 41 TYR HH 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ALA HA 43 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 14 ALA QB 25 PHE QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 201, 202, 203,
igr2= 375, 376,
&end
#
# 14 ALA QB 25 PHE QD 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 201, 202, 203,
igr2= 379, 387,
&end
#
# 14 ALA QB 25 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 201, 202, 203,
&end
#
# 14 ALA HN 25 PHE HB2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 197, 375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ALA HN 25 PHE HB3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 197, 376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ALA HN 25 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 197, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ALA HN 41 TYR HH 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 197, 651, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 SER HA 23 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 332, 333,
&end
#
# 15 SER HA 23 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 SER HA 24 ILE HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 354, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 SER HA 24 ILE HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 356, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 SER HA 24 ILE QG1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 362, 363,
&end
#
# 15 SER HA 24 ILE QG2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 358, 359, 360,
&end
#
# 15 SER HA 24 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 SER HA 25 PHE HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 SER HA 25 PHE QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 375, 376,
&end
#
# 15 SER HA 25 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 209, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 SER HA 41 TYR QE 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 653,
&end
#
# 15 SER HA 43 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 SER HB2 24 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 211, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 SER HB3 24 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 212, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 SER QB 22 LYS QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 211, 212,
igr2= 319, 320,
&end
#
# 15 SER QB 22 LYS QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 211, 212,
igr2= 313, 314,
&end
#
# 15 SER QB 23 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 211, 212,
igr2= 332, 333,
&end
#
# 15 SER QB 23 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 211, 212,
&end
#
# 15 SER QB 24 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 211, 212,
igr2= 365, 366, 367,
&end
#
# 15 SER QB 24 ILE QG1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 211, 212,
igr2= 362, 363,
&end
#
# 15 SER QB 24 ILE QG2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 211, 212,
igr2= 358, 359, 360,
&end
#
# 15 SER QB 24 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 211, 212,
&end
#
# 15 SER QB 25 PHE QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 211, 212,
igr2= 375, 376,
&end
#
# 15 SER QB 25 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 211, 212,
&end
#
# 15 SER QB 43 VAL QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 211, 212,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 15 SER HN 24 ILE HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 207, 354, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 SER HN 25 PHE QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 375, 376,
&end
#
# 15 SER HN 25 PHE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 207, 371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 SER HN 41 TYR QE 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 653,
&end
#
# 15 SER HN 41 TYR HH 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 207, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 PHE HA 23 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 332, 333,
&end
#
# 16 PHE QB 23 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 222, 223,
igr2= 332, 333,
&end
#
# 16 PHE QB 24 ILE HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 222, 223,
&end
#
# 16 PHE QB 43 VAL HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 222, 223,
&end
#
# 16 PHE QB 43 VAL QG1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 222, 223,
igr2= 680, 681, 682,
&end
#
# 16 PHE HB3 43 VAL QG2 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 684, 685, 686,
&end
#
# 16 PHE HB2 43 VAL QG2 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 684, 685, 686,
&end
#
# 16 PHE QD 23 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 226, 234,
igr2= 332, 333,
&end
#
# 16 PHE QD 23 TRP HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 226, 234,
&end
#
# 16 PHE HN 23 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 16 PHE HN 23 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 PHE HN 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 PHE HN 24 ILE HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 PHE HN 24 ILE QG2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 358, 359, 360,
&end
#
# 16 PHE HN 24 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 VAL HA 23 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 332, 333,
&end
#
# 17 VAL HA 23 TRP HD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 VAL HA 23 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 VAL HA 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 VAL HB 23 TRP HD1 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 VAL QG 23 TRP HD1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 17 VAL QG 23 TRP HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 244, 245, 246, 248, 249, 250,
&end
#
# 1 ALA QB 23 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 23 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 8, 9, 10,
&end
#
# 1 ALA QB 42 GLU HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 8, 9, 10,
&end
#
# 23 TRP HA 43 VAL HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 330, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TRP HA 43 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 23 TRP HA 43 VAL HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 330, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TRP HB2 43 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HB3 43 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 333, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP QB 42 GLU HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 332, 333,
&end
#
# 23 TRP QB 42 GLU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 23 TRP HD1 43 VAL HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 336, 676, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HD1 43 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 23 TRP HE3 42 GLU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HE3 42 GLU QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 663, 664,
&end
#
# 23 TRP HE3 42 GLU QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 666, 667,
&end
#
# 23 TRP HE3 42 GLU HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TRP HE3 43 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 676, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HE3 43 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 23 TRP HE3 43 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HH2 42 GLU QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 666, 667,
&end
#
# 23 TRP HH2 43 VAL HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 676, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TRP HZ3 42 GLU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 345, 661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HZ3 42 GLU QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 663, 664,
&end
#
# 23 TRP HZ3 42 GLU QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 666, 667,
&end
#
# 23 TRP HZ3 43 VAL HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 345, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TRP HZ3 43 VAL QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 23 TRP HZ3 43 VAL HN 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 345, 674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ILE HA 41 TYR QE 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 653,
&end
#
# 24 ILE HA 43 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 354, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE QG2 42 GLU QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 358, 359, 360,
igr2= 666, 667,
&end
#
# 24 ILE QG2 42 GLU HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 358, 359, 360,
&end
#
# 24 ILE HN 42 GLU HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE HN 42 GLU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 663, 664,
&end
#
# 24 ILE HN 42 GLU HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 659, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ILE HN 43 VAL HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 676, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE HN 43 VAL HB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 678, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ILE HN 43 VAL QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 24 ILE HN 43 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ILE HN 44 TRP HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 690, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 PHE HA 41 TYR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 PHE HA 41 TYR QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 648, 653,
&end
#
# 25 PHE HA 41 TYR HH 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 373, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 PHE HA 42 GLU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 PHE HA 43 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 680, 681, 682, 684, 685, 686,
&end
#
# 25 PHE QB 41 TYR HH 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 375, 376,
&end
#
# 25 PHE QB 41 TYR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 375, 376,
&end
#
# 25 PHE QB 41 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 375, 376,
igr2= 646, 655,
&end
#
# 25 PHE QB 41 TYR QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 375, 376,
igr2= 648, 653,
&end
#
# 25 PHE QB 44 TRP QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 375, 376,
igr2= 694, 695,
&end
#
# 25 PHE QD 41 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 379, 387,
&end
#
# 25 PHE QD 41 TYR HH 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 379, 387,
&end
#
# 25 PHE QD 42 GLU HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 379, 387,
&end
#
# 25 PHE HN 41 TYR HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 PHE HN 41 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 646, 655,
&end
#
# 25 PHE HN 41 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 648, 653,
&end
#
# 25 PHE HN 41 TYR HH 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 PHE HN 42 GLU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 371, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 PHE HN 43 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 LYS QB 42 GLU HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 395, 396,
&end
#
# 26 LYS QB 41 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 395, 396,
&end
#
# 26 LYS QB 42 GLU QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 395, 396,
igr2= 663, 664,
&end
#
# 26 LYS QB 42 GLU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 395, 396,
&end
#
# 26 LYS HN 40 ILE HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 391, 623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 LYS HN 40 ILE QG2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 625, 626, 627,
&end
#
# 26 LYS HN 40 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 391, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 LYS HN 41 TYR HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 391, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 LYS HN 41 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 646, 655,
&end
#
# 26 LYS HN 42 GLU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 391, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 SER HA 40 ILE HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 415, 623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 SER HB2 40 ILE QG1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 629, 630,
&end
#
# 27 SER HB3 40 ILE QG1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 629, 630,
&end
#
# 27 SER QB 40 ILE HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 417, 418,
&end
#
# 27 SER QB 40 ILE QD1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 417, 418,
igr2= 632, 633, 634,
&end
#
# 27 SER QB 40 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 417, 418,
&end
#
# 27 SER HN 39 GLY QA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 614, 615,
&end
#
# 27 SER HN 40 ILE HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 413, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 SER HN 40 ILE HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 413, 623, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 SER HN 40 ILE QG2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 625, 626, 627,
&end
#
# 27 SER HN 40 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 413, 619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 SER HN 41 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 413, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 SER HN 41 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 642, 643,
&end
#
# 27 SER HN 41 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 413, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 SER HN 42 GLU HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 413, 659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 LYS HA 37 TRP QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 576, 577,
&end
#
# 28 LYS HA 37 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LYS HA 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LYS HA 39 GLY QA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 614, 615,
&end
#
# 28 LYS HA 39 GLY HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 LYS HA 40 ILE QG1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 629, 630,
&end
#
# 28 LYS HA 40 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 426, 619, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LYS HA 41 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 646, 655,
&end
#
# 28 LYS HA 44 TRP HE3 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 LYS HA 44 TRP HZ3 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 426, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 LYS QB 37 TRP HE3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 428, 429,
&end
#
# 28 LYS QB 37 TRP QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 428, 429,
igr2= 576, 577,
&end
#
# 28 LYS QB 37 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 428, 429,
&end
#
# 28 LYS QB 37 TRP HZ3 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 428, 429,
&end
#
# 28 LYS QB 38 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 428, 429,
&end
#
# 28 LYS QB 39 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 428, 429,
igr2= 614, 615,
&end
#
# 28 LYS QB 40 ILE HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 428, 429,
&end
#
# 28 LYS QB 44 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 428, 429,
&end
#
# 29 TYR HA 37 TRP HE3 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 448, 591, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 TYR HA 37 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 448, 587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR HA 37 TRP HZ3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 448, 589, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 TYR HA 39 GLY QA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 614, 615,
&end
#
# 29 TYR QB 37 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 450, 451,
&end
#
# 29 TYR QB 37 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 450, 451,
&end
#
# 29 TYR QB 38 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 450, 451,
&end
#
# 29 TYR QB 38 VAL QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 450, 451,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 29 TYR QD 38 VAL HB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 454, 463,
&end
#
# 29 TYR QD 38 VAL QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 454, 463,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 29 TYR QD 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 454, 463,
&end
#
# 29 TYR QE 38 VAL QG 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 456, 461,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 29 TYR QE 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 456, 461,
&end
#
# 29 TYR QE 39 GLY QA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 456, 461,
igr2= 614, 615,
&end
#
# 29 TYR QE 39 GLY HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 456, 461,
&end
#
# 29 TYR HN 37 TRP HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR HN 37 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 576, 577,
&end
#
# 29 TYR HN 37 TRP HE3 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 591, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 TYR HN 37 TRP HH2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 TYR HN 37 TRP HZ3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 TYR HN 38 VAL HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR HN 38 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 TYR HN 38 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 TYR HN 39 GLY HA2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 TYR HN 39 GLY HA3 1.8 4.0
&rst
ixpk= 0, nxpk= 0, iat= 446, 615, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 TYR HN 40 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HN 44 TRP HZ3 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 ILE HA 23 TRP HH2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 16, 343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ILE HA 23 TRP HZ3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 16, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 ILE HA 41 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 16, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ILE HB 40 ILE HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 18, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 ILE HB 41 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 18, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 ILE QD1 42 GLU QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 27, 28, 29,
igr2= 666, 667,
&end
#
# 2 ILE QG1 42 GLU QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 24, 25,
igr2= 666, 667,
&end
#
# 2 ILE QG2 23 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 20, 21, 22,
&end
#
# 2 ILE QG2 26 LYS QD 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 20, 21, 22,
igr2= 401, 402,
&end
#
# 2 ILE QG2 40 ILE HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 20, 21, 22,
&end
#
# 2 ILE QG2 41 TYR HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 20, 21, 22,
&end
#
# 2 ILE QG2 41 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 20, 21, 22,
igr2= 642, 643,
&end
#
# 2 ILE QG2 42 GLU QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 20, 21, 22,
igr2= 663, 664,
&end
#
# 2 ILE QG2 42 GLU HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 20, 21, 22,
&end
#
# 2 ILE QG2 43 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 20, 21, 22,
&end
#
# 2 ILE HN 23 TRP HZ3 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 14, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 TYR HA 37 TRP HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 574, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 TYR HA 37 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 576, 577,
&end
#
# 30 TYR HA 37 TRP HE3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 591, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 TYR HA 37 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HA 37 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HA 38 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HA 38 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 TYR HB2 37 TRP HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HB2 37 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471, 589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HB3 37 TRP HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 472, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HB3 37 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 472, 589, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR QB 37 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 471, 472,
&end
#
# 30 TYR QB 37 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 471, 472,
&end
#
# 30 TYR QB 37 TRP HZ2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 471, 472,
&end
#
# 30 TYR QB 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 471, 472,
&end
#
# 30 TYR QD 37 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 475, 484,
&end
#
# 30 TYR QD 37 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 475, 484,
igr2= 576, 577,
&end
#
# 30 TYR QD 37 TRP HD1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 475, 484,
&end
#
# 30 TYR QD 37 TRP HE1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 475, 484,
&end
#
# 30 TYR QD 37 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 591, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 475, 484,
&end
#
# 30 TYR QD 37 TRP HH2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 475, 484,
&end
#
# 30 TYR QD 37 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 475, 484,
&end
#
# 30 TYR QD 37 TRP HZ2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 475, 484,
&end
#
# 30 TYR QD 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 475, 484,
&end
#
# 30 TYR QE 36 TYR HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 477, 482,
&end
#
# 30 TYR QE 37 TRP HD1 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 477, 482,
&end
#
# 30 TYR QE 37 TRP HE1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 477, 482,
&end
#
# 30 TYR QE 37 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 477, 482,
&end
#
# 30 TYR HN 37 TRP HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 574, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HN 37 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HN 37 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 TYR HN 37 TRP HZ3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 467, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 TYR HN 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ASP QB 38 VAL HB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 492, 493,
&end
#
# 31 ASP QB 38 VAL QG 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 492, 493,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 31 ASP QB 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 492, 493,
&end
#
# 31 ASP HN 37 TRP HA 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 574, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 ASP HN 37 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ASP HN 37 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ASP HN 38 VAL HB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 ASP HN 38 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 TRP HA 44 TRP HH2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 574, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 TRP QB 44 TRP HH2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 576, 577,
&end
#
# 37 TRP HN 44 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 572, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 VAL HA 44 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 598, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 VAL HA 44 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 598, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 VAL QG 44 TRP HH2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 602, 603, 604, 606, 607, 608,
&end
#
# 38 VAL QG 44 TRP HZ3 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 602, 603, 604, 606, 607, 608,
&end
#
# 38 VAL HN 44 TRP HH2 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 596, 705, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 VAL HN 44 TRP HZ3 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 596, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 LYS HA 41 TYR QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 642, 643,
&end
#
# 3 LYS QB 41 TYR HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 37, 38,
&end
#
# 3 LYS QB 41 TYR HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 37, 38,
&end
#
# 3 LYS QB 43 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 37, 38,
&end
#
# 3 LYS QD 23 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 43, 44,
&end
#
# 3 LYS HN 41 TYR HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 33, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 39 GLY HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 57, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 LEU HA 40 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 57, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LEU HA 41 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 57, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 LEU QB 40 ILE HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 59, 60,
&end
#
# 4 LEU QB 40 ILE QD1 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 59, 60,
igr2= 632, 633, 634,
&end
#
# 5 VAL HB 39 GLY HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 78, 612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 VAL HB 41 TYR QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 646, 655,
&end
#
# 5 VAL HB 41 TYR QE 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 648, 653,
&end
#
# 5 VAL HB 44 TRP HZ3 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 78, 707, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 VAL QG 44 TRP HZ3 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 39 GLY HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 41 TYR QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 80, 81, 82, 84, 85, 86,
igr2= 642, 643,
&end
#
# 5 VAL QG 41 TYR QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 80, 81, 82, 84, 85, 86,
igr2= 646, 655,
&end
#
# 5 VAL QG 41 TYR QE 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 80, 81, 82, 84, 85, 86,
igr2= 648, 653,
&end
#
# 5 VAL QG 44 TRP HB2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 44 TRP HB3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 44 TRP HD1 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 44 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG 44 TRP HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL HN 39 GLY QA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 614, 615,
&end
#
# 6 GLN HA 37 TRP HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN HA 38 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 92, 598, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLN HA 38 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN HA 38 VAL QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 6 GLN HA 38 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN HA 39 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 92, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 GLN HA 44 TRP HH2 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 705, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 GLN HA 44 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 92, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN QB 36 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 94, 95,
igr2= 555, 556,
&end
#
# 6 GLN QB 36 TYR QD 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 94, 95,
igr2= 559, 568,
&end
#
# 6 GLN HB3 36 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 566,
&end
#
# 6 GLN HB2 36 TYR QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 561, 566,
&end
#
# 6 GLN QE2 38 VAL HB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 102, 103,
&end
#
# 6 GLN QE2 38 VAL QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 102, 103,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 6 GLN HN 38 VAL QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 6 GLN HN 39 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 90, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLN HN 44 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 90, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 SER HA 44 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 109, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 SER QB 44 TRP HH2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 111, 112,
&end
#
# 7 SER HN 36 TYR QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 555, 556,
&end
#
# 7 SER HN 36 TYR QD 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 559, 568,
&end
#
# 7 SER HN 37 TRP QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 576, 577,
&end
#
# 7 SER HN 37 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 572, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 SER HN 38 VAL HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 107, 598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 SER HN 38 VAL HB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 107, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 SER HN 38 VAL QG 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 7 SER HN 44 TRP HH2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 107, 705, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 SER HN 44 TRP HZ3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 107, 707, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 PRO HA 36 TYR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 128, 553, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 PRO HA 36 TYR QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 555, 556,
&end
#
# 8 PRO HA 36 TYR HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 PRO HA 37 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 128, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 PRO HA 37 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 128, 572, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 PRO QB 36 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 125, 126,
igr2= 555, 556,
&end
#
# 8 PRO QD 36 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 119, 120,
igr2= 555, 556,
&end
#
# 8 PRO QG 36 TYR QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 122, 123,
igr2= 555, 556,
&end
#
# 8 PRO QG 36 TYR QD 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 122, 123,
igr2= 559, 568,
&end
#
# 9 ASN HA 37 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 134, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ASN HA 37 TRP HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 134, 572, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ASN QB 37 TRP HD1 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 136, 137,
&end
#
# 9 ASN QD2 11 ASN QB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 141, 142,
igr2= 157, 158,
&end
#
# 15 SER HA 41 TYR HH 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 TRP HA 43 VAL HB 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 330, 678, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 ILE QG2 23 TRP HE3 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 20, 21, 22,
&end
#
# 30 TYR QE 35 GLY QA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 477, 482,
igr2= 546, 547,
&end
#
# 30 TYR QE 32 SER QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 477, 482,
igr2= 504, 505,
&end
#
# 30 TYR QD 32 SER QB 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 475, 484,
igr2= 504, 505,
&end
#
# 2 ILE HA 3 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 16, 33, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 ILE HB 3 LYS HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 18, 33, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 ILE QD1 3 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 27, 28, 29,
&end
#
# 2 ILE QG1 3 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 24, 25,
&end
#
# 2 ILE HN 3 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 14, 33, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 LYS HA 23 TRP HZ3 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 35, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 LYS HA 3 LYS QB 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 37, 38,
&end
#
# 3 LYS HA 3 LYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 35, 33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 LYS QB 23 TRP HH2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 37, 38,
&end
#
# 3 LYS QB 23 TRP HZ3 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 37, 38,
&end
#
# 3 LYS QB 3 LYS QE 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 37, 38,
igr2= 46, 47,
&end
#
# 3 LYS QB 3 LYS HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 37, 38,
&end
#
# 3 LYS QB 41 TYR QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 37, 38,
igr2= 642, 643,
&end
#
# 3 LYS QD 23 TRP HH2 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 43, 44,
&end
#
# 3 LYS QD 3 LYS QE 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 43, 44,
igr2= 46, 47,
&end
#
# 3 LYS QE 3 LYS QZ 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 46, 47,
igr2= 49, 50, 51,
&end
#
# 3 LYS HN 23 TRP HZ3 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 33, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 LYS HN 41 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 33, 638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 LYS HN 43 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 33, 674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 LYS HN 4 LEU HA 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 33, 57, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 LYS HN 4 LEU HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 33, 55, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 LEU HA 40 ILE HN 1.8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 57, 619, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 LEU HA 4 LEU HB3 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 57, 60, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LEU HA 4 LEU HB2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 57, 59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LEU HA 4 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 57, 55, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LEU HA 5 VAL QG 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 80, 81, 82, 84, 85, 86,
&end
#
# 4 LEU HA 5 VAL HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 57, 74, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 LEU QB 4 LEU QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 59, 60,
igr2= 64, 65, 66, 68, 69, 70,
&end
#
# 4 LEU QB 4 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 59, 60,
&end
#
# 4 LEU QB 5 VAL HN 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 59, 60,
&end
#
# 4 LEU HG 4 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 62, 55, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LEU HG 5 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 62, 74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 LEU HN 5 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 55, 74, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 VAL HA 5 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 76, 74, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 VAL HB 5 VAL HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 78, 74, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 VAL QG 5 VAL HN 1.8 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 80, 81, 82, 84, 85, 86,
&end
#
# 5 VAL QG2 5 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 84, 85, 86,
&end
#
# 5 VAL QG1 5 VAL HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 80, 81, 82,
&end
#
# 5 VAL HN 38 VAL HA 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 74, 598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 VAL HN 38 VAL QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 602, 603, 604, 606, 607, 608,
&end
#
# 5 VAL HN 39 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 VAL HN 40 ILE HA 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 74, 621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 VAL HN 41 TYR QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 646, 655,
&end
#
# 5 VAL HN 6 GLN HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 74, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 TRP HE3 3 LYS HN 1.8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 33, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 LYS HN 41 TYR QB 1.8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 642, 643,
&end
#
# 12 PHE H 28 LYS QD 4.5
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 434, 435,
&end
#
# 9 ASN QD2 11 ASN QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 141, 142,
igr2= 157, 158,
&end
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