NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
638029 |
6o7g   |
30585 | cing | 1-original | 6 | AMBER | distance | NOE | simple |
# 17 LEU QD2 66 ARG QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 248, 249, 250,
igr2= 959, 960,
/
#
# 17 LEU QD2 66 ARG QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 248, 249, 250,
igr2= 965, 966,
/
#
# 17 LEU QD2 66 ARG QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 248, 249, 250,
igr2= 962, 963,
/
#
# 17 LEU QD1 66 ARG QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 244, 245, 246,
igr2= 965, 966,
/
#
# 17 LEU QD1 66 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 244, 245, 246,
igr2= 962, 963,
/
#
# 18 LEU QB 65 LYS QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr1= 258, 259,
igr2= 946, 945,
/
#
# 18 LEU QD2 65 LYS QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr1= 267, 268, 269,
igr2= 946, 945,
/
#
# 18 LEU QD1 65 LYS QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr1= 263, 264, 265,
igr2= 946, 945,
/
#
# 19 ILE QD1 64 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 286, 287, 288,
igr2= 923, 924, 925,
/
#
# 20 GLN QB 63 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 296, 297,
igr2= 914, 915,
/
#
# 20 GLN QG 63 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 299, 300,
igr2= 914, 915,
/
#
# 38 GLU HA 66 ARG QG 7.00 -> TK A15.qb amb -> use only A15
# igr2= 962, 963,
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 923, 924, 925,
/
#
# 38 GLU QG 66 ARG QB 7.00 -> TK del
# &rst
# ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
# rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
# igr1= 580, 581,
# igr2= 959, 960,
# /
#
# 38 GLU QG 66 ARG QG 5.50 -> TK A15.hb amb -> use only A15
# igr2= 962, 963,
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 580, 581,
igr2= 923, 924, 925,
/
#
# 41 VAL HB 64 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 923, 924, 925,
/
#
# 41 VAL QG2 64 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 622, 623, 624,
igr2= 923, 924, 925,
/
#
# 41 VAL QG1 63 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 618, 619, 620,
igr2= 914, 915,
/
#
# 41 VAL QG1 66 ARG QD 6.50 -> TK del
# &rst
# ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
# rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
# igr1= 618, 619, 620,
# igr2= 965, 966,
# /
#
# 41 VAL QG1 64 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 618, 619, 620,
igr2= 923, 924, 925,
/
#
# 42 GLU QG 64 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 635, 636,
igr2= 923, 924, 925,
/
#
# 45 ALA QB 63 GLY QA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 674, 675, 676,
igr2= 914, 915,
/
#
# 45 ALA QB 66 ARG QD 6.00 -> TK del
# &rst
# ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
# rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
# igr1= 674, 675, 676,
# igr2= 965, 966,
# /
#
# 2 LEU HA 2 LEU HG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 15, 20, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
/
#
# 2 LEU QD2 2 LEU HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 26, 27, 28,
/
#
# 2 LEU QD2 2 LEU HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 17, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 26, 27, 28,
/
#
# 2 LEU HN 2 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 26, 27, 28,
/
#
# 2 LEU QD1 2 LEU QD2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 22, 23, 24,
igr2= 26, 27, 28,
/
#
# 2 LEU HA 2 LEU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 15, 18, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 2 LEU HN 2 LEU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 13, 17, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 2 LEU HA 2 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 26, 27, 28,
/
#
# 2 LEU HN 2 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 20, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 2 LEU QD1 2 LEU HB2 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 17, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 22, 23, 24,
/
#
# 2 LEU QD1 2 LEU HG 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 20, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 22, 23, 24,
/
#
# 2 LEU HA 2 LEU HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 15, 17, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 2 LEU QD2 2 LEU HG 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 20, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 26, 27, 28,
/
#
# 2 LEU QD1 2 LEU HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 18, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 22, 23, 24,
/
#
# 2 LEU HA 2 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 22, 23, 24,
/
#
# 2 LEU HN 2 LEU HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 13, 15, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 2 LEU HN 2 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 22, 23, 24,
/
#
# 2 LEU HN 2 LEU HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 13, 18, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 2 LEU HN 3 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 38, 39, 40,
/
#
# 2 LEU HN 4 THR HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 50, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 2 LEU HN 4 THR HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 2 LEU HA 12 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00,
igr2= 166, 171,
/
#
# 2 LEU HG 12 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 20, -1, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00,
igr2= 166, 171,
/
#
# 2 LEU QD2 12 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00,
igr1= 26, 27, 28,
igr2= 166, 171,
/
#
# 3 VAL HN 2 LEU HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 32, 18, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50, /
#
# 3 VAL HN 2 LEU QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr2= 26, 27, 28,
/
#
# 3 VAL HN 2 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 22, 23, 24,
/
#
# 3 VAL HN 2 LEU HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 32, 17, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50, /
#
# 3 VAL HN 2 LEU HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= 32, 15, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, /
#
# 3 VAL HN 3 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 42, 43, 44,
/
#
# 3 VAL QG2 3 VAL HB 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 42, 43, 44,
/
#
# 3 VAL HA 3 VAL QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 42, 43, 44,
/
#
# 3 VAL QG1 3 VAL HB 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 38, 39, 40,
/
#
# 3 VAL HN 3 VAL HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 32, 34, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 3 VAL HA 3 VAL QG1 3.21
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 38, 39, 40,
/
#
# 3 VAL HA 3 VAL HB 3.95
&rst
ixpk= 0, nxpk= 0, iat= 34, 36, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, /
#
# 3 VAL HN 3 VAL HB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 32, 36, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, /
#
# 3 VAL HN 3 VAL QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 38, 39, 40,
/
#
# 3 VAL HN 4 THR HN 4.00 --> 4.50
&rst
ixpk= 0, nxpk= 0, iat= 32, 48, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 3 VAL HN 4 THR HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 32, 52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 3 VAL HA 12 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 3.30, r2= 3.80, r3= 6.00, r4= 6.50,
igr2= 166, 171,
/
#
# 3 VAL QG1 12 TYR QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr1= 38, 39, 40,
igr2= 166, 171,
/
#
# 3 VAL QG2 12 TYR QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr1= 42, 43, 44,
igr2= 166, 171,
/
#
# 3 VAL HN 12 TYR QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 166, 171,
/
#
# 3 VAL QG1 12 TYR QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 4.30, r2= 4.80, r3= 8.00, r4= 8.50,
igr1= 38, 39, 40,
igr2= 164, 173,
/
#
# 3 VAL HA 12 TYR QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 164, 173,
/
#
# 4 THR HN 2 LEU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 48, 17, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 4 THR HN 2 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 48, 15, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 4 THR HN 3 VAL HA 3.58
&rst
ixpk= 0, nxpk= 0, iat= 48, 34, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 4 THR HN 3 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 38, 39, 40,
/
#
# 4 THR HN 3 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 48, 36, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 4 THR HN 3 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 42, 43, 44,
/
#
# 4 THR HB 3 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 38, 39, 40, 42, 43, 44,
/
#
# 4 THR HB 4 THR QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 54, 55, 56,
/
#
# 4 THR HA 4 THR HB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 50, 52, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 4 THR HA 4 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 54, 55, 56,
/
#
# 4 THR HN 4 THR HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 48, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 4 THR HN 4 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 54, 55, 56,
/
#
# 4 THR HN 4 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 48, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 4 THR HA 5 CY2 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 50, 66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 4 THR HN 5 CY2 HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 48, 62, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, /
#
# 4 THR HB 6 PRO HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 52, 73, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 4 THR HA 6 PRO QG 6.50
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 76, 77,
/
#
# 4 THR QG2 6 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 54, 55, 56,
/
#
# 4 THR QG2 6 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 54, 55, 56,
/
#
# 4 THR HB 6 PRO HG2 7.50
&rst
ixpk= 0, nxpk= 0, iat= 52, 76, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, /
#
# 4 THR HB 6 PRO HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 52, 79, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 4 THR HB 6 PRO HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 52, 82, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 4 THR QG2 6 PRO HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 54, 55, 56,
/
#
# 4 THR QG2 6 PRO HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 54, 55, 56,
/
#
# 4 THR QG2 6 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 54, 55, 56,
/
#
# 4 THR QG2 6 PRO HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 54, 55, 56,
/
#
# 4 THR HN 7 ILE HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= 48, 86, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, /
#
# 4 THR HN 10 ALA HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 48, 132, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 4 THR HA 10 ALA HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 132, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 4 THR HN 12 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 4.30, r2= 4.80, r3= 7.00, r4= 7.50,
igr2= 166, 171,
/
#
# 5 CY2 HB3 4 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 54, 55, 56,
/
#
# 5 CY2 HN 4 THR HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 62, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 5 CY2 HN 4 THR HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 62, 50, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, /
#
# 5 CY2 HN 4 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 54, 55, 56,
/
#
# 5 CY2 HA 5 CY2 HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 64, 67, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, /
#
# 5 CY2 HN 5 CY2 HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 62, 64, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, /
#
# 5 CY2 HA 5 CY2 HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 64, 66, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 5 CY2 HN 5 CY2 HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 62, 67, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, /
#
# 5 CY2 HN 5 CY2 HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 62, 66, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 5 CY2 HA 6 PRO HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 64, 77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 5 CY2 HB2 10 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 136, 137, 138,
/
#
# 5 CY2 HN 10 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 136, 137, 138,
/
#
# 5 CY2 HN 10 ALA HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 132, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 5 CY2 HA 11 PRO QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 143, 144,
/
#
# 5 CY2 HB3 12 TYR QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 3.30, r2= 3.80, r3= 7.30, r4= 7.80,
igr2= 166, 171,
/
#
# 5 CY2 HB2 12 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 166, 171,
/
#
# 5 CY2 HA 12 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr2= 166, 171,
/
#
# 6 PRO HB2 6 PRO HD2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 79, 73, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 6 PRO HB2 6 PRO HG2 2.84
&rst
ixpk= 0, nxpk= 0, iat= 79, 76, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, /
#
# 6 PRO HB3 6 PRO HG2 3.22
&rst
ixpk= 0, nxpk= 0, iat= 80, 76, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, /
#
# 6 PRO HB2 6 PRO HG3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 79, 77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 6 PRO HD2 6 PRO HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 73, 77, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 6 PRO HB3 6 PRO HG3 2.69
&rst
ixpk= 0, nxpk= 0, iat= 80, 77, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, /
#
# 6 PRO HD3 6 PRO HG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 74, 76, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, /
#
# 6 PRO HD2 6 PRO HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 73, 76, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, /
#
# 6 PRO HD3 6 PRO HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 74, 77, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 6 PRO HB2 6 PRO HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 79, 74, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 6 PRO HB3 6 PRO HD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 80, 73, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, /
#
# 6 PRO HB3 6 PRO HD3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 80, 74, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, /
#
# 7 ILE HN 5 CY2 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 7 ILE HN 5 CY2 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 86, 67, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 7 ILE HN 5 CY2 HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 7 ILE QD1 6 PRO HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 99, 100, 101,
/
#
# 7 ILE QG2 6 PRO HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 92, 93, 94,
/
#
# 7 ILE HN 6 PRO HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 86, 79, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 7 ILE HA 6 PRO HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 88, 79, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 7 ILE HA 6 PRO HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 88, 80, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 7 ILE HN 7 ILE HG13 5.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 7 ILE HN 7 ILE QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 92, 93, 94,
/
#
# 7 ILE QG2 7 ILE HG12 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 92, 93, 94,
/
#
# 7 ILE HB 7 ILE HG12 4.66
&rst
ixpk= 0, nxpk= 0, iat= 90, 96, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 7 ILE QG2 7 ILE HG13 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 92, 93, 94,
/
#
# 7 ILE HN 7 ILE HG12 5.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 96, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 7 ILE HN 7 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 86, 90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 7 ILE HB 7 ILE HG13 4.10
&rst
ixpk= 0, nxpk= 0, iat= 90, 97, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 7 ILE HB 7 ILE QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 92, 93, 94,
/
#
# 7 ILE HB 7 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 99, 100, 101,
/
#
# 7 ILE HN 7 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 99, 100, 101,
/
#
# 7 ILE HG12 7 ILE HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 96, 88, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 7 ILE QG2 7 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 92, 93, 94,
/
#
# 7 ILE HB 7 ILE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 90, 88, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, /
#
# 7 ILE HG13 7 ILE HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 97, 88, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 7 ILE HN 7 ILE HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= 86, 88, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 7 ILE HG12 7 ILE QD1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 99, 100, 101,
/
#
# 7 ILE HG13 7 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 99, 100, 101,
/
#
# 7 ILE HA 7 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 99, 100, 101,
/
#
# 7 ILE HN 8 CY2 HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 105, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 ILE HA 8 CY2 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 88, 105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 7 ILE HA 9 HIE HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 88, 115, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 7 ILE HN 28 MET QB 7.50
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr2= 437, 438,
/
#
# 7 ILE QG2 32 CY2 HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 92, 93, 94,
/
#
# 7 ILE QD1 32 CY2 HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 2.30, r2= 2.80, r3= 7.21, r4= 7.71,
igr1= 99, 100, 101,
/
#
# 7 ILE HN 32 CY2 HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 489, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 7 ILE HN 32 CY2 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 86, 488, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 7 ILE QD1 33 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 99, 100, 101,
/
#
# 7 ILE QD1 33 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 99, 100, 101,
/
#
# 8 CY2 HN 5 CY2 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 CY2 HN 5 CY2 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, 67, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 CY2 HN 7 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 92, 93, 94,
/
#
# 8 CY2 HB3 7 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 92, 93, 94,
/
#
# 8 CY2 HN 7 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 105, 90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 8 CY2 HN 7 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, 96, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 CY2 HB2 7 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 92, 93, 94,
/
#
# 8 CY2 HN 7 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 99, 100, 101,
/
#
# 8 CY2 HN 7 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, 97, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 CY2 HN 8 CY2 HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, /
#
# 8 CY2 HN 8 CY2 HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, /
#
# 8 CY2 HN 9 HIE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 105, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 8 CY2 HB2 10 ALA QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 136, 137, 138,
/
#
# 8 CY2 HN 32 CY2 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 105, 488, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 8 CY2 HN 32 CY2 HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 105, 489, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 9 HIE HA 4 THR QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 54, 55, 56,
/
#
# 9 HIE HB2 4 THR QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 54, 55, 56,
/
#
# 9 HIE HB3 4 THR QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 54, 55, 56,
/
#
# 9 HIE HN 4 THR QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 54, 55, 56,
/
#
# 9 HIE HN 5 CY2 HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 67, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 9 HIE HN 5 CY2 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 9 HIE HN 7 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 9 HIE HN 7 ILE QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 92, 93, 94,
/
#
# 9 HIE HN 7 ILE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 115, 86, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 9 HIE HN 8 CY2 QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 110, 109,
/
#
# 9 HIE HA 9 HIE HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 128, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 9 HIE HA 9 HIE HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 9 HIE HA 9 HIE HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 117, 120, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, /
#
# 9 HIE HN 9 HIE HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 115, 120, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, /
#
# 9 HIE HD2 9 HIE HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 128, 119, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, /
#
# 9 HIE HD2 9 HIE HB3 5.66
&rst
ixpk= 0, nxpk= 0, iat= 128, 120, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, /
#
# 9 HIE HN 9 HIE HA 3.29
&rst
ixpk= 0, nxpk= 0, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, /
#
# 9 HIE HN 9 HIE HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 115, 119, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 9 HIE HN 9 HIE HD2 6.03
&rst
ixpk= 0, nxpk= 0, iat= 115, 128, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, /
#
# 9 HIE HN 10 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 136, 137, 138,
/
#
# 9 HIE HN 10 ALA HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 132, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 9 HIE HB3 10 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 120, 132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 10 ALA QB 4 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 136, 137, 138,
igr2= 54, 55, 56,
/
#
# 10 ALA HN 4 THR HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 132, 52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 10 ALA HA 4 THR QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 54, 55, 56,
/
#
# 10 ALA HN 4 THR QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 54, 55, 56,
/
#
# 10 ALA HN 5 CY2 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 10 ALA QB 5 CY2 HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 137, 138,
/
#
# 10 ALA HA 6 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 73, 74,
/
#
# 10 ALA HA 6 PRO HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 134, 76, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, /
#
# 10 ALA QB 6 PRO HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 136, 137, 138,
/
#
# 10 ALA QB 6 PRO HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 136, 137, 138,
/
#
# 10 ALA HA 6 PRO HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 134, 77, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 10 ALA QB 6 PRO HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 136, 137, 138,
/
#
# 10 ALA QB 6 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 136, 137, 138,
/
#
# 10 ALA QB 6 PRO QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 136, 137, 138,
igr2= 79, 80,
/
#
# 10 ALA HN 6 PRO QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 73, 74,
/
#
# 10 ALA HN 8 CY2 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, 110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 10 ALA HN 8 CY2 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 132, 109, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 10 ALA HN 8 CY2 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 132, 105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 10 ALA HN 9 HIE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 10 ALA HN 9 HIE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 132, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 10 ALA HA 10 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 136, 137, 138,
/
#
# 10 ALA HN 10 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 136, 137, 138,
/
#
# 10 ALA HN 10 ALA HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 10 ALA QB 29 HIE HE1 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 136, 137, 138,
/
#
# 11 PRO QG 11 PRO QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 146, 147,
igr2= 149, 150,
/
#
# 11 PRO QD 11 PRO QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 143, 144,
igr2= 146, 147,
/
#
# 11 PRO QB 11 PRO HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 149, 150,
/
#
# 11 PRO QD 11 PRO QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 143, 144,
igr2= 149, 150,
/
#
# 12 TYR QD 12 TYR HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 164, 173,
/
#
# 12 TYR QE 12 TYR QD 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 166, 171,
igr2= 164, 173,
/
#
# 12 TYR QE 12 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 166, 171,
/
#
# 13 VAL QG1 11 PRO QG 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 183, 184, 185,
igr2= 146, 147,
/
#
# 13 VAL QG2 11 PRO QG 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 187, 188, 189,
igr2= 146, 147,
/
#
# 13 VAL QG1 11 PRO QB 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 183, 184, 185,
igr2= 149, 150,
/
#
# 13 VAL HA 13 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 187, 188, 189,
/
#
# 13 VAL HA 13 VAL QG1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 183, 184, 185,
/
#
# 13 VAL HA 13 VAL HB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, /
#
# 13 VAL HB 13 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 187, 188, 189,
/
#
# 13 VAL HB 13 VAL QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 183, 184, 185,
/
#
# 13 VAL QG1 14 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 183, 184, 185,
/
#
# 13 VAL HB 14 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 13 VAL QG2 14 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 187, 188, 189,
/
#
# 13 VAL HA 14 GLU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 179, 193, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 14 GLU HN 14 GLU QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 200, 201,
/
#
# 14 GLU HA 14 GLU QG 3.90
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 200, 201,
/
#
# 14 GLU HA 14 GLU HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 195, 198, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, /
#
# 14 GLU HN 14 GLU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 193, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 14 GLU HN 14 GLU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 193, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 14 GLU HN 14 GLU HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= 193, 195, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 14 GLU HN 15 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 15 GLU HN 15 GLU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 208, 210, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 16 ASP HN 13 VAL HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 16 ASP HN 13 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
igr2= 183, 184, 185,
/
#
# 16 ASP HN 13 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
igr2= 187, 188, 189,
/
#
# 16 ASP HN 13 VAL HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 179, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 16 ASP HA 16 ASP HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, /
#
# 16 ASP HA 16 ASP HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 225, 228, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, /
#
# 16 ASP HB2 16 ASP HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 227, 223, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, /
#
# 16 ASP HB3 16 ASP HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 228, 223, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, /
#
# 17 LEU HN 16 ASP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 235, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 17 LEU HN 16 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 LEU HN 16 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 227, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 LEU HN 17 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 17 LEU HB2 17 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 244, 245, 246,
/
#
# 17 LEU HN 17 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 248, 249, 250,
/
#
# 17 LEU HN 17 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 244, 245, 246,
/
#
# 17 LEU HG 17 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 244, 245, 246,
/
#
# 17 LEU HG 17 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 248, 249, 250,
/
#
# 17 LEU HB3 17 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 248, 249, 250,
/
#
# 17 LEU HB2 17 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 248, 249, 250,
/
#
# 17 LEU HB3 17 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 244, 245, 246,
/
#
# 17 LEU QD1 17 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 3.30, r2= 3.80, r3= 7.21, r4= 7.71,
igr1= 244, 245, 246,
/
#
# 17 LEU HN 17 LEU QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 239, 240,
/
#
# 17 LEU HN 18 LEU QQD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr2= 263, 264, 265, 267, 268, 269,
/
#
# 17 LEU HN 30 ALA HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 235, 467, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00, /
#
# 17 LEU HN 30 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
igr2= 471, 472, 473,
/
#
# 17 LEU QD2 38 GLU QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 248, 249, 250,
igr2= 580, 581,
/
#
# 17 LEU QD1 38 GLU QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 244, 245, 246,
igr2= 580, 581,
/
#
# 18 LEU QD1 12 TYR QD 7.00 -> 6.00 (aro)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
igr1= 263, 264, 265,
igr2= 164, 173,
/
#
# 18 LEU QD1 12 TYR QE 6.50 -> 5.0 (aro)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
igr1= 263, 264, 265,
igr2= 166, 171,
/
#
# 18 LEU QD2 12 TYR QE 7.00 -> 5.0 (aro)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
igr1= 267, 268, 269,
igr2= 166, 171,
/
#
# 18 LEU QD2 16 ASP HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 267, 268, 269,
/
#
# 18 LEU QD2 16 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 267, 268, 269,
/
#
# 18 LEU QD1 16 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 263, 264, 265,
/
#
# 18 LEU QD1 16 ASP HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 263, 264, 265,
/
#
# 18 LEU QD2 16 ASP HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 267, 268, 269,
/
#
# 18 LEU HN 17 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 244, 245, 246,
/
#
# 18 LEU HG 18 LEU QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 263, 264, 265,
/
#
# 18 LEU HB3 18 LEU QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 263, 264, 265,
/
#
# 18 LEU HG 18 LEU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 261, 258, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 18 LEU HB3 18 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 259, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 18 LEU HG 18 LEU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 261, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, /
#
# 18 LEU HG 18 LEU QD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 267, 268, 269,
/
#
# 18 LEU HB2 18 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 267, 268, 269,
/
#
# 18 LEU HB3 18 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 267, 268, 269,
/
#
# 18 LEU HB2 18 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 263, 264, 265,
/
#
# 18 LEU HA 18 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 267, 268, 269,
/
#
# 18 LEU HA 18 LEU HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, /
#
# 18 LEU HG 18 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 261, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 18 LEU HA 18 LEU HG 4.40
&rst
ixpk= 0, nxpk= 0, iat= 256, 261, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, /
#
# 18 LEU HA 18 LEU HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 256, 259, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, /
#
# 18 LEU HA 18 LEU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, /
#
# 18 LEU HA 18 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 263, 264, 265,
/
#
# 18 LEU HA 19 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 279, 280, 281,
/
#
# 18 LEU QD1 27 TRP HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 263, 264, 265,
/
#
# 18 LEU QD2 27 TRP HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 267, 268, 269,
/
#
# 18 LEU HB2 27 TRP HZ3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 258, 426, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 18 LEU QB 27 TRP HH2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 258, 259,
/
#
# 18 LEU HB3 27 TRP HZ3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 259, 426, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 18 LEU HA 27 TRP HE3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 256, 428, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 18 LEU QB 27 TRP HE3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 258, 259,
/
#
# 18 LEU HA 29 HIE HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 256, 463, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 18 LEU QD1 29 HIE HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 263, 264, 265,
/
#
# 18 LEU HA 30 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 471, 472, 473,
/
#
# 19 ILE QG2 17 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 279, 280, 281,
igr2= 244, 245, 246,
/
#
# 19 ILE HN 18 LEU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 19 ILE HN 18 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 263, 264, 265, 267, 268, 269,
/
#
# 19 ILE HN 18 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, 259, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 19 ILE HN 18 LEU HA 3.43
&rst
ixpk= 0, nxpk= 0, iat= 273, 256, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 19 ILE HN 18 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 19 ILE QG2 19 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 279, 280, 281,
/
#
# 19 ILE HB 19 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 286, 287, 288,
/
#
# 19 ILE QG2 19 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 279, 280, 281,
/
#
# 19 ILE QG2 19 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 279, 280, 281,
igr2= 286, 287, 288,
/
#
# 19 ILE HN 19 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 19 ILE QG2 19 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 279, 280, 281,
/
#
# 19 ILE HN 19 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 279, 280, 281,
/
#
# 19 ILE HN 19 ILE HG13 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, 284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 19 ILE HN 19 ILE HG12 6.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 283, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 19 ILE HG12 19 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 283, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 19 ILE HG12 19 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 286, 287, 288,
/
#
# 19 ILE HG13 19 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 286, 287, 288,
/
#
# 19 ILE HN 27 TRP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 273, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 19 ILE HN 27 TRP HE3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 428, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 19 ILE QG2 28 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 279, 280, 281,
/
#
# 19 ILE QG2 28 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 279, 280, 281,
/
#
# 19 ILE HN 28 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 444, 445, 446,
/
#
# 19 ILE HN 28 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 440, 441,
/
#
# 19 ILE QG2 30 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 279, 280, 281,
igr2= 471, 472, 473,
/
#
# 19 ILE HN 30 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 471, 472, 473,
/
#
# 19 ILE QG2 33 GLU HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 279, 280, 281,
/
#
# 19 ILE QG2 33 GLU HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 279, 280, 281,
/
#
# 19 ILE QG2 35 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 279, 280, 281,
igr2= 533, 534, 535,
/
#
# 19 ILE QD1 35 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 286, 287, 288,
igr2= 533, 534, 535,
/
#
# 19 ILE QD1 35 LEU QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 286, 287, 288,
igr2= 529, 530, 531,
/
#
# 19 ILE QG2 41 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 279, 280, 281,
igr2= 618, 619, 620,
/
#
# 19 ILE HG12 41 VAL QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 618, 619, 620,
/
#
# 19 ILE HG13 41 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 618, 619, 620,
/
#
# 19 ILE QD1 41 VAL HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 286, 287, 288,
/
#
# 19 ILE HN 41 VAL QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 618, 619, 620,
/
#
# 19 ILE QD1 44 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 286, 287, 288,
igr2= 664, 665, 666,
/
#
# 19 ILE QG2 44 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 279, 280, 281,
igr2= 664, 665, 666,
/
#
# 19 ILE HG12 45 ALA QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 674, 675, 676,
/
#
# 19 ILE QD1 45 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 286, 287, 288,
/
#
# 19 ILE QD1 45 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 286, 287, 288,
igr2= 674, 675, 676,
/
#
# 19 ILE HG13 49 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 722, 730,
/
#
# 19 ILE QG2 49 PHE QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 279, 280, 281,
igr2= 722, 730,
/
#
# 19 ILE HG12 49 PHE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 722, 730,
/
#
# 19 ILE QD1 49 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 286, 287, 288,
igr2= 722, 730,
/
#
# 19 ILE QD1 49 PHE HZ 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 286, 287, 288,
/
#
# 19 ILE QD1 49 PHE QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 286, 287, 288,
igr2= 718, 719,
/
#
# 20 GLN HN 19 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 286, 287, 288,
/
#
# 20 GLN HN 19 ILE HG12 5.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 GLN HN 19 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 279, 280, 281,
/
#
# 20 GLN HN 19 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 GLN HN 19 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 GLN HG2 20 GLN QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 296, 297,
/
#
# 20 GLN HG3 20 GLN QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 296, 297,
/
#
# 20 GLN HG3 20 GLN HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 300, 294, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, /
#
# 20 GLN HN 20 GLN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 296, 297,
/
#
# 20 GLN HN 20 GLN HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 20 GLN HN 20 GLN HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 292, 294, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 20 GLN HE21 20 GLN HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 304, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 GLN HE22 20 GLN HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 GLN HE21 20 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 304, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 GLN QE2 20 GLN QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 304, 305,
igr2= 296, 297,
/
#
# 20 GLN HE22 20 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 GLN HE22 25 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 20 GLN HE22 25 GLU HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 375, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 GLN HE21 25 GLU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 304, 372, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 GLN HE21 25 GLU HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 304, 375, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 GLN HE21 25 GLU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 304, 374, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 20 GLN HE22 25 GLU HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 378, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 20 GLN HE22 25 GLU HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 305, 377, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 20 GLN HE21 25 GLU HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 304, 377, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 20 GLN HG2 25 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 299, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 20 GLN HG3 25 GLU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 300, 372, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 GLN HE21 25 GLU HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 304, 378, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 20 GLN HE22 25 GLU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 374, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 GLN QB 27 TRP HH2 7.00 -> 6.5 (aro)
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 296, 297,
/
#
# 20 GLN HG2 27 TRP HH2 7.00 -> 5.0 (aro)
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 299, 300,
/
#
# 20 GLN HG2 27 TRP HZ3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 426, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 GLN HA 27 TRP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 411, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 GLN HE21 27 TRP HZ2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 304, 422, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 20 GLN HA 28 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 444, 445, 446,
/
#
# 20 GLN HA 49 PHE HZ 7.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 21 CY1 HN 19 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 279, 280, 281,
/
#
# 21 CY1 HN 20 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 CY1 HN 20 GLN HE22 6.31
&rst
ixpk= 0, nxpk= 0, iat= 309, 305, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, /
#
# 21 CY1 HN 20 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 CY1 HN 20 GLN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 296, 297,
/
#
# 21 CY1 HN 20 GLN HN 5.82
&rst
ixpk= 0, nxpk= 0, iat= 309, 292, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, /
#
# 21 CY1 HN 20 GLN HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= 309, 294, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, /
#
# 21 CY1 HB2 21 CY1 HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 CY1 HB3 21 CY1 HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 313, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 CY1 HN 21 CY1 HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 309, 313, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 21 CY1 HN 21 CY1 HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 309, 314, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, /
#
# 21 CY1 HN 22 ARG HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 21 CY1 HN 24 CY1 HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 360, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 21 CY1 HN 25 GLU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 372, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 21 CY1 HN 25 GLU HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 370, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 21 CY1 HN 26 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 21 CY1 HN 27 TRP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 411, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 21 CY1 HB2 28 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 444, 445, 446,
/
#
# 21 CY1 HN 28 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 444, 445, 446,
/
#
# 21 CY1 HB3 28 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 444, 445, 446,
/
#
# 21 CY1 HB3 49 PHE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 722, 730,
/
#
# 21 CY1 HN 49 PHE QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 722, 730,
/
#
# 21 CY1 HN 51 CY1 HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 746, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 22 ARG HN 21 CY1 HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 319, 311, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, /
#
# 22 ARG HN 21 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 319, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 ARG HN 21 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 319, 313, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 22 ARG HN 22 ARG HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 22 ARG HD3 22 ARG HG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 330, 326, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, /
#
# 22 ARG HD2 22 ARG HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 329, 326, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 22 ARG HD2 22 ARG HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 329, 324, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, /
#
# 22 ARG HN 22 ARG HD3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 319, 330, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 22 ARG HN 22 ARG HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 319, 321, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 22 ARG HB2 22 ARG HG3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 323, 327, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, /
#
# 22 ARG HA 22 ARG HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 321, 324, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 22 ARG HB2 22 ARG HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 323, 326, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, /
#
# 22 ARG HD2 22 ARG HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 329, 323, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 22 ARG HA 22 ARG HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, /
#
# 22 ARG HN 22 ARG HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 327, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 22 ARG HN 22 ARG HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 22 ARG HD3 22 ARG HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 330, 323, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, /
#
# 22 ARG HA 22 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 329, 330,
/
#
# 22 ARG HA 22 ARG HG3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 321, 327, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, /
#
# 22 ARG HD3 22 ARG HG3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 330, 327, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, /
#
# 22 ARG HN 22 ARG HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 319, 329, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 22 ARG HD3 22 ARG HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 330, 324, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 22 ARG HA 22 ARG HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 22 ARG HD2 22 ARG HG3 4.33
&rst
ixpk= 0, nxpk= 0, iat= 329, 327, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, /
#
# 22 ARG HN 22 ARG HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, /
#
# 22 ARG HN 25 GLU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 372, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 22 ARG HN 49 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 722, 730,
/
#
# 22 ARG HN 50 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 736, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 23 HIE HN 21 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 313, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 HIE HN 21 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 314, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 HIE HN 22 ARG HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 343, 321, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 23 HIE HN 22 ARG HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 23 HIE HN 22 ARG HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 343, 323, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, /
#
# 23 HIE HN 22 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 23 HIE HN 22 ARG HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 327, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 23 HIE HN 22 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 23 HIE HA 23 HIE HD2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 345, 356, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, /
#
# 23 HIE HB2 23 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 23 HIE HB3 23 HIE HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 348, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 23 HIE HA 23 HIE HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 345, 348, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, /
#
# 23 HIE HN 23 HIE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 348, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 23 HIE HN 23 HIE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 23 HIE HN 23 HIE HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 356, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 HIE HN 25 GLU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 372, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 23 HIE HN 25 GLU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 343, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 23 HIE HN 50 ASP HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 736, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 23 HIE HD2 54 CY1 QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 788, 787,
/
#
# 23 HIE HB2 54 CY1 QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 788, 787,
/
#
# 24 CY1 HN 21 CY1 HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 24 CY1 HN 21 CY1 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 24 CY1 HN 22 ARG HA 5.95
&rst
ixpk= 0, nxpk= 0, iat= 360, 321, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, /
#
# 24 CY1 HA 23 HIE HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 362, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 24 CY1 HN 23 HIE HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 360, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 24 CY1 HN 23 HIE HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= 360, 343, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, /
#
# 24 CY1 HN 23 HIE HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 360, 345, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, /
#
# 24 CY1 HN 23 HIE HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 360, 356, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 24 CY1 HN 23 HIE HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 360, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 24 CY1 HA 24 CY1 HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 362, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 24 CY1 HN 24 CY1 HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, /
#
# 24 CY1 HA 24 CY1 HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 362, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 24 CY1 HN 24 CY1 HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, /
#
# 24 CY1 HN 24 CY1 HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 24 CY1 HN 25 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 24 CY1 HN 25 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 24 CY1 HN 25 GLU HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 360, 377, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 25 GLU HN 20 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 25 GLU HN 20 GLN QG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 299, 300,
/
#
# 25 GLU HN 21 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 370, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 25 GLU HN 21 CY1 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 25 GLU HN 22 ARG HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 370, 319, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 25 GLU HN 22 ARG HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 370, 321, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 25 GLU HN 23 HIE HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 345, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 25 GLU HN 23 HIE HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 370, 347, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 25 GLU HN 23 HIE HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 370, 348, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 25 GLU HN 23 HIE HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 25 GLU HN 24 CY1 HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 370, 365, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, /
#
# 25 GLU HN 24 CY1 HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 362, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 25 GLU HN 24 CY1 HB3 5.54
&rst
ixpk= 0, nxpk= 0, iat= 370, 364, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, /
#
# 25 GLU HG3 25 GLU HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 25 GLU HG2 25 GLU HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 377, 374, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, /
#
# 25 GLU HA 25 GLU HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 372, 375, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, /
#
# 25 GLU HA 25 GLU HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, /
#
# 25 GLU HG3 25 GLU HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 378, 375, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, /
#
# 25 GLU HA 25 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 372, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 25 GLU HN 25 GLU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 25 GLU HG2 25 GLU HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 377, 375, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, /
#
# 25 GLU HN 25 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 25 GLU HA 25 GLU HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 372, 378, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, /
#
# 25 GLU HN 25 GLU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 25 GLU HN 25 GLU HA 3.26
&rst
ixpk= 0, nxpk= 0, iat= 370, 372, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, /
#
# 25 GLU HN 25 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 370, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 25 GLU HB2 26 ARG HD3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 374, 396, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 25 GLU HB2 26 ARG HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 374, 395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 25 GLU HA 28 MET QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 444, 445, 446,
/
#
# 25 GLU HN 28 MET QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 444, 445, 446,
/
#
# 26 ARG HN 20 GLN QG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 299, 300,
/
#
# 26 ARG HN 21 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 314, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 26 ARG HN 21 CY1 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 313, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 26 ARG HN 23 HIE HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 343, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 26 ARG HN 24 CY1 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 364, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 26 ARG HN 24 CY1 HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 365, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 26 ARG HN 24 CY1 HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 360, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 26 ARG HN 25 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 26 ARG HN 25 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 ARG HN 25 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 372, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 26 ARG HN 26 ARG HD3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 385, 396, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, /
#
# 26 ARG HG3 26 ARG HD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 393, 395, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, /
#
# 26 ARG HB2 26 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 ARG HG2 26 ARG HD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 392, 395, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 26 ARG HG3 26 ARG HD3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 393, 396, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, /
#
# 26 ARG HN 26 ARG HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 ARG HG2 26 ARG HD3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, /
#
# 26 ARG HN 26 ARG HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 ARG HA 26 ARG HG3 4.18
&rst
ixpk= 0, nxpk= 0, iat= 387, 393, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, /
#
# 26 ARG HN 26 ARG HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 ARG HB3 26 ARG HD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 390, 395, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, /
#
# 26 ARG HA 26 ARG HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 387, 389, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, /
#
# 26 ARG HB3 26 ARG HD3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 390, 396, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, /
#
# 26 ARG HA 26 ARG HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 387, 390, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, /
#
# 26 ARG HB2 26 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 26 ARG HA 26 ARG HD2 5.93
&rst
ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, /
#
# 26 ARG HN 26 ARG HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 26 ARG HN 26 ARG HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= 385, 387, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 26 ARG HN 26 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 395, 396,
/
#
# 26 ARG HA 27 TRP HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 387, 409, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, /
#
# 26 ARG HN 28 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 444, 445, 446,
/
#
# 26 ARG HA 28 MET QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 444, 445, 446,
/
#
# 27 TRP HZ2 2 LEU QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr2= 26, 27, 28,
/
#
# 27 TRP HN 2 LEU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 17, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50, /
#
# 27 TRP HD1 2 LEU QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr2= 22, 23, 24,
/
#
# 27 TRP HE1 2 LEU QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr2= 22, 23, 24,
/
#
# 27 TRP HD1 2 LEU QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr2= 26, 27, 28,
/
#
# 27 TRP HB3 2 LEU QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr2= 26, 27, 28,
/
#
# 27 TRP HE1 2 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
igr2= 26, 27, 28,
/
#
# 27 TRP HE1 2 LEU HG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 20, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50, /
#
# 27 TRP HD1 18 LEU QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 258, 259,
/
#
# 27 TRP HB3 18 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 267, 268, 269,
/
#
# 27 TRP HB2 18 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 267, 268, 269,
/
#
# 27 TRP HZ2 20 GLN QB 7.00 -> 6.0 (aro)
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 296, 297,
/
#
# 27 TRP HE1 20 GLN HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 300, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 27 TRP HE1 20 GLN HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 299, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 27 TRP HE1 20 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 27 TRP HE1 20 GLN HE21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 27 TRP HN 20 GLN HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 294, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 27 TRP HE1 25 GLU HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 378, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 27 TRP HN 25 GLU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 372, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 27 TRP HN 26 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 27 TRP HN 26 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 27 TRP HN 26 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 27 TRP HN 26 ARG HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 TRP HN 26 ARG HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 27 TRP HN 27 TRP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 TRP HZ2 27 TRP HH2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 27 TRP HZ2 27 TRP HZ3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 422, 426, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 27 TRP HB2 27 TRP HE3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 413, 428, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, /
#
# 27 TRP HE3 27 TRP HZ3 3.43
&rst
ixpk= 0, nxpk= 0, iat= 428, 426, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 27 TRP HZ3 27 TRP HH2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 27 TRP HB3 27 TRP HE3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 414, 428, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, /
#
# 27 TRP HA 27 TRP HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 27 TRP HD1 27 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 417, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 27 TRP HD1 27 TRP HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 417, 414, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, /
#
# 27 TRP HD1 27 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 417, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 27 TRP HB2 27 TRP HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= 413, 411, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 27 TRP HB3 27 TRP HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= 414, 411, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, /
#
# 27 TRP HN 27 TRP HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 409, 413, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, /
#
# 27 TRP HE1 27 TRP HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= 419, 409, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, /
#
# 27 TRP HE1 27 TRP HB2 5.96
&rst
ixpk= 0, nxpk= 0, iat= 419, 413, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, /
#
# 27 TRP HN 27 TRP HZ2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 27 TRP HE1 27 TRP HB3 6.64
&rst
ixpk= 0, nxpk= 0, iat= 419, 414, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, /
#
# 27 TRP HE1 27 TRP HZ2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 419, 422, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, /
#
# 27 TRP HE1 27 TRP HD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, /
#
# 27 TRP HN 27 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 TRP HN 27 TRP HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 409, 414, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 28 MET HA 5 CY2 HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 435, 64, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 28 MET QE 7 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 444, 445, 446,
igr2= 99, 100, 101,
/
#
# 28 MET HG2 7 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 99, 100, 101,
/
#
# 28 MET HG3 7 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 99, 100, 101,
/
#
# 28 MET HA 7 ILE HN 7.50
&rst
ixpk= 0, nxpk= 0, iat= 435, 86, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, /
#
# 28 MET HA 12 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 166, 171,
/
#
# 28 MET QE 19 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 444, 445, 446,
igr2= 279, 280, 281,
/
#
# 28 MET HN 19 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 MET HN 19 ILE QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 279, 280, 281,
/
#
# 28 MET HA 20 GLN HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 435, 294, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 28 MET QE 26 ARG HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 444, 445, 446,
/
#
# 28 MET HN 27 TRP HE3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 433, 428, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 28 MET QE 27 TRP HA 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 444, 445, 446,
/
#
# 28 MET HN 27 TRP HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= 433, 411, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 28 MET HG3 27 TRP HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 411, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 28 MET HN 27 TRP HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 433, 414, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, /
#
# 28 MET QE 28 MET HG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 444, 445, 446,
/
#
# 28 MET QE 28 MET HG3 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 444, 445, 446,
/
#
# 28 MET HA 28 MET HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 435, 438, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, /
#
# 28 MET HN 28 MET HG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 433, 440, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, /
#
# 28 MET HA 28 MET HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, /
#
# 28 MET HA 28 MET HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 435, 441, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 28 MET HA 28 MET QE 5.51
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 444, 445, 446,
/
#
# 28 MET HA 28 MET HG2 5.59
&rst
ixpk= 0, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, /
#
# 28 MET HN 28 MET HG3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 433, 441, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, /
#
# 28 MET HN 28 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 444, 445, 446,
/
#
# 28 MET QE 49 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 444, 445, 446,
igr2= 722, 730,
/
#
# 28 MET QE 51 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 444, 445, 446,
/
#
# 28 MET QE 51 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 444, 445, 446,
/
#
# 29 HIE HN 5 CY2 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 66, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 29 HIE HN 5 CY2 HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 67, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 29 HIE HN 7 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 99, 100, 101,
/
#
# 29 HIE HN 7 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 90, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 29 HIE HE1 10 ALA HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 459, 134, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 29 HIE HD2 12 TYR QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 164, 173,
/
#
# 29 HIE HE1 12 TYR QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 164, 173,
/
#
# 29 HIE HE1 12 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 166, 171,
/
#
# 29 HIE HN 12 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 166, 171,
/
#
# 29 HIE HD2 16 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 463, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 HIE HD2 16 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 463, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 HIE HN 18 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 263, 264, 265,
/
#
# 29 HIE HN 27 TRP HE3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 428, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 29 HIE HN 28 MET HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 HIE HN 28 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 450, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 HIE HN 28 MET HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 441, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 HIE HN 28 MET HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 450, 435, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 29 HIE HN 28 MET HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 450, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 HIE HB3 29 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 455, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 HIE HD2 29 HIE HE1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 463, 459, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 29 HIE HB2 29 HIE HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 454, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 HIE HN 29 HIE HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 450, 454, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 29 HIE HN 29 HIE HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, /
#
# 29 HIE HN 29 HIE HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 29 HIE HB3 30 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 455, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 29 HIE HN 30 ALA HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, /
#
# 29 HIE HB3 31 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 29 HIE HB3 32 CY2 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 455, 489, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 29 HIE HB2 32 CY2 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 454, 489, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 29 HIE HB2 32 CY2 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 454, 488, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 29 HIE HB3 32 CY2 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 488, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 29 HIE HB2 32 CY2 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 454, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 29 HIE HN 32 CY2 HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 450, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 29 HIE HB3 32 CY2 HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 455, 484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 29 HIE HN 32 CY2 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 450, 489, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 30 ALA HN 17 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 244, 245, 246,
/
#
# 30 ALA HN 17 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ALA QB 17 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 471, 472, 473,
igr2= 248, 249, 250,
/
#
# 30 ALA QB 17 LEU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 471, 472, 473,
/
#
# 30 ALA QB 17 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 471, 472, 473,
/
#
# 30 ALA HN 18 LEU HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 467, 254, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 30 ALA HN 18 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 263, 264, 265,
/
#
# 30 ALA HA 18 LEU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 256, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 30 ALA HN 18 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 256, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 30 ALA HN 18 LEU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 259, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ALA HN 18 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ALA HN 18 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 261, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 30 ALA QB 19 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 471, 472, 473,
igr2= 286, 287, 288,
/
#
# 30 ALA HA 19 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 277, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 30 ALA HA 19 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 279, 280, 281,
/
#
# 30 ALA HA 19 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 286, 287, 288,
/
#
# 30 ALA QB 19 ILE HB 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 471, 472, 473,
/
#
# 30 ALA HN 19 ILE QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 279, 280, 281,
/
#
# 30 ALA HA 19 ILE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 469, 273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ALA HN 19 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 467, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 30 ALA HN 29 HIE HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 467, 463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 30 ALA HN 30 ALA HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 467, 469, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 30 ALA HA 30 ALA QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 471, 472, 473,
/
#
# 30 ALA HN 30 ALA QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 471, 472, 473,
/
#
# 30 ALA HA 33 GLU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 469, 494, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 30 ALA QB 35 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 471, 472, 473,
/
#
# 30 ALA QB 35 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 471, 472, 473,
/
#
# 30 ALA HA 35 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 533, 534, 535,
/
#
# 30 ALA HA 35 LEU HG 6.50
&rst
ixpk= 0, nxpk= 0, iat= 469, 527, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 30 ALA QB 35 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 471, 472, 473,
igr2= 533, 534, 535,
/
#
# 30 ALA QB 41 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 471, 472, 473,
igr2= 622, 623, 624,
/
#
# 30 ALA HA 41 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 622, 623, 624,
/
#
# 31 GLY HN 18 LEU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 477, 256, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 31 GLY HN 19 ILE HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 477, 273, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 31 GLY HN 30 ALA QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 471, 472, 473,
/
#
# 31 GLY HN 30 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 477, 469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 31 GLY HN 30 ALA HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 477, 467, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, /
#
# 31 GLY HN 31 GLY HA2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 477, 479, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 31 GLY HN 31 GLY HA3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 477, 480, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, /
#
# 31 GLY HN 33 GLU HN 5.62
&rst
ixpk= 0, nxpk= 0, iat= 477, 494, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, /
#
# 32 CY2 HB3 7 ILE HG13 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 32 CY2 HB3 7 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 32 CY2 HB2 7 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 92, 93, 94,
/
#
# 32 CY2 HB2 7 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 489, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 32 CY2 HB3 7 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 92, 93, 94,
/
#
# 32 CY2 HB3 7 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 99, 100, 101,
/
#
# 32 CY2 HB3 7 ILE HG12 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 96, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 32 CY2 HB2 7 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 99, 100, 101,
/
#
# 32 CY2 HN 7 ILE HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 484, 90, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 32 CY2 HN 7 ILE QD1 5005.50
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3=6011.29, r4=6011.79,
igr2= 99, 100, 101,
/
#
# 32 CY2 HN 7 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 92, 93, 94,
/
#
# 32 CY2 HN 30 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 471, 472, 473,
/
#
# 32 CY2 HN 30 ALA HN 5.58
&rst
ixpk= 0, nxpk= 0, iat= 484, 467, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, /
#
# 32 CY2 HN 31 GLY HA3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 484, 480, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 32 CY2 HN 31 GLY HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 484, 477, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, /
#
# 32 CY2 HN 31 GLY HA2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 484, 479, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, /
#
# 32 CY2 HB3 32 CY2 HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, /
#
# 32 CY2 HB2 32 CY2 HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 489, 486, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, /
#
# 32 CY2 HN 32 CY2 HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 32 CY2 HN 32 CY2 HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 484, 488, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, /
#
# 32 CY2 HN 32 CY2 HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= 484, 486, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, /
#
# 32 CY2 HA 33 GLU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 496, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00, /
#
# 32 CY2 HA 33 GLU HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 502, r1= 3.30, r2= 3.80, r3= 6.60, r4= 7.10, /
#
# 32 CY2 HN 33 GLU HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 484, 494, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 32 CY2 HN 33 GLU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 484, 498, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 33 GLU HN 7 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 99, 100, 101,
/
#
# 33 GLU HN 30 ALA QB 6.29
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 471, 472, 473,
/
#
# 33 GLU HN 32 CY2 HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 494, 489, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 33 GLU HN 32 CY2 HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 33 GLU HN 32 CY2 HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 494, 488, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, /
#
# 33 GLU HB2 33 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 33 GLU HB3 33 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 499, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 33 GLU HB3 33 GLU HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 499, 501, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, /
#
# 33 GLU HB3 33 GLU HG3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 499, 502, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, /
#
# 33 GLU HB2 33 GLU HG3 4.44
&rst
ixpk= 0, nxpk= 0, iat= 498, 502, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, /
#
# 33 GLU HA 33 GLU HG3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 496, 502, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, /
#
# 33 GLU HA 33 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 33 GLU HN 33 GLU HG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 494, 501, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 33 GLU HB2 33 GLU HG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 498, 501, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, /
#
# 33 GLU HN 33 GLU HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, /
#
# 33 GLU HN 33 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 33 GLU HN 33 GLU HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, /
#
# 33 GLU HN 33 GLU HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, /
#
# 33 GLU HN 34 SER HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 494, 511, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, /
#
# 33 GLU HG2 49 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 501, 726, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 33 GLU HB3 49 PHE HZ 6.50
&rst
ixpk= 0, nxpk= 0, iat= 499, 726, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 33 GLU HG2 49 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 724, 728,
/
#
# 33 GLU HG3 49 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 726, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 33 GLU HG3 49 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 724, 728,
/
#
# 33 GLU QB 49 PHE HZ 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 498, 499,
/
#
# 34 SER HN 31 GLY HA3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 509, 480, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, /
#
# 34 SER HN 31 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 509, 479, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00, /
#
# 34 SER HN 32 CY2 HN 5.72
&rst
ixpk= 0, nxpk= 0, iat= 509, 484, r1= 2.30, r2= 2.80, r3= 5.72, r4= 6.22, /
#
# 34 SER HN 32 CY2 HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 509, 486, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, /
#
# 34 SER HN 33 GLU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 509, 496, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 34 SER HN 33 GLU HB3 5.64
&rst
ixpk= 0, nxpk= 0, iat= 509, 499, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, /
#
# 34 SER HN 33 GLU HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 509, 498, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, /
#
# 34 SER HN 34 SER HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= 509, 511, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, /
#
# 34 SER HA 34 SER QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 513, 514,
/
#
# 34 SER HN 34 SER QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 513, 514,
/
#
# 34 SER HN 35 LEU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 509, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 35 LEU HN 30 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 471, 472, 473,
/
#
# 35 LEU HN 31 GLY HA2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 520, 479, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 35 LEU HN 31 GLY HA3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 520, 480, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 35 LEU QD2 33 GLU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 533, 534, 535,
/
#
# 35 LEU HN 34 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 520, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 35 LEU HN 34 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 3.30, r2= 3.80, r3= 6.73, r4= 7.23,
igr2= 513, 514,
/
#
# 35 LEU QD1 35 LEU QD2 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 529, 530, 531,
igr2= 533, 534, 535,
/
#
# 35 LEU QD2 35 LEU HG 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 533, 534, 535,
/
#
# 35 LEU QD2 35 LEU HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 533, 534, 535,
/
#
# 35 LEU QD2 35 LEU HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 533, 534, 535,
/
#
# 35 LEU QD1 35 LEU HG 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 529, 530, 531,
/
#
# 35 LEU HN 35 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 529, 530, 531,
/
#
# 35 LEU HG 35 LEU HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= 527, 522, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 35 LEU HN 35 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 520, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 35 LEU HA 35 LEU HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 522, 525, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, /
#
# 35 LEU QD2 35 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 533, 534, 535,
/
#
# 35 LEU QD1 35 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 529, 530, 531,
/
#
# 35 LEU HA 35 LEU HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, /
#
# 35 LEU HN 35 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 533, 534, 535,
/
#
# 35 LEU HN 35 LEU HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, /
#
# 35 LEU HN 35 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 520, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 35 LEU QD2 40 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 533, 534, 535,
/
#
# 35 LEU QD1 40 ASP QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 529, 530, 531,
igr2= 604, 605,
/
#
# 35 LEU QD2 41 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 533, 534, 535,
/
#
# 35 LEU QD2 41 VAL HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 533, 534, 535,
/
#
# 35 LEU QD2 43 GLN HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 533, 534, 535,
/
#
# 35 LEU QD2 44 ALA HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 533, 534, 535,
/
#
# 35 LEU QD2 45 ALA HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 670, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 533, 534, 535,
/
#
# 35 LEU QD2 49 PHE QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 533, 534, 535,
igr2= 724, 728,
/
#
# 36 PHE HN 35 LEU HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= 539, 522, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 36 PHE HN 35 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 529, 530, 531,
/
#
# 36 PHE HN 35 LEU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 539, 520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 36 PHE HN 35 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 36 PHE HA 36 PHE QD 5.08
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 547, 555,
/
#
# 36 PHE HA 36 PHE QE 5.75
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 549, 553,
/
#
# 36 PHE HB3 36 PHE QD 3.69
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 547, 555,
/
#
# 36 PHE HB2 36 PHE QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 547, 555,
/
#
# 36 PHE HN 36 PHE HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 539, 544, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 36 PHE QE 36 PHE HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 549, 553,
/
#
# 36 PHE QE 36 PHE HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 549, 553,
/
#
# 36 PHE HN 36 PHE HA 3.43
&rst
ixpk= 0, nxpk= 0, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, /
#
# 36 PHE HN 36 PHE QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 549, 553,
/
#
# 36 PHE HN 36 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 547, 555,
/
#
# 36 PHE HN 36 PHE HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, /
#
# 36 PHE HB3 37 THR QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 565, 566, 567,
/
#
# 36 PHE HN 37 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 565, 566, 567,
/
#
# 36 PHE HB2 37 THR QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 565, 566, 567,
/
#
# 36 PHE HN 40 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 539, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 36 PHE HN 40 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, 604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 36 PHE HN 41 VAL HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 539, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 37 THR HN 36 PHE HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 559, 541, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 37 THR HN 36 PHE HB2 5.72
&rst
ixpk= 0, nxpk= 0, iat= 559, 543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 THR HN 36 PHE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 559, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 37 THR HB 37 THR QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 565, 566, 567,
/
#
# 37 THR QG2 37 THR HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 565, 566, 567,
/
#
# 37 THR HN 37 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 565, 566, 567,
/
#
# 37 THR HN 40 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 37 THR HN 40 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 37 THR HN 40 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 38 GLU HA 17 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 248, 249, 250,
/
#
# 38 GLU HA 17 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 244, 245, 246,
/
#
# 38 GLU HN 17 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 244, 245, 246,
/
#
# 38 GLU HN 17 LEU QD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 248, 249, 250,
/
#
# 38 GLU HN 37 THR QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 565, 566, 567,
/
#
# 38 GLU HN 37 THR HB 5.26
&rst
ixpk= 0, nxpk= 0, iat= 573, 563, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, /
#
# 38 GLU HN 38 GLU QG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 580, 581,
/
#
# 38 GLU HN 38 GLU HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 573, 575, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, /
#
# 38 GLU HA 38 GLU QG 3.95
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 580, 581,
/
#
# 38 GLU HN 38 GLU QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 577, 578,
/
#
# 38 GLU HA 41 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 575, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 38 GLU HA 41 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 618, 619, 620,
/
#
# 38 GLU HA 41 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
/
#
# 38 GLU HA 41 VAL HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 575, 612, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, /
#
# 38 GLU HN 41 VAL HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= 573, 612, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, /
#
# 38 GLU HN 42 GLU QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 632, 633,
/
#
# 39 ASP HN 37 THR HB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 588, 563, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, /
#
# 39 ASP HN 37 THR QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 565, 566, 567,
/
#
# 39 ASP HN 38 GLU QG 4.37
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 580, 581,
/
#
# 39 ASP HN 38 GLU QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 577, 578,
/
#
# 39 ASP HN 38 GLU HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 588, 575, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, /
#
# 39 ASP HN 38 GLU HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 588, 573, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, /
#
# 39 ASP HA 39 ASP HB3 3.03
&rst
ixpk= 0, nxpk= 0, iat= 590, 593, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, /
#
# 39 ASP HA 39 ASP HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, /
#
# 39 ASP HN 39 ASP HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, /
#
# 39 ASP HN 39 ASP HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 588, 593, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 39 ASP HN 39 ASP HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 588, 592, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 39 ASP HN 40 ASP HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 588, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 39 ASP HA 42 GLU QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 632, 633,
/
#
# 40 ASP HB3 35 LEU HG 6.50
&rst
ixpk= 0, nxpk= 0, iat= 605, 527, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 40 ASP QB 35 LEU HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 604, 605,
/
#
# 40 ASP HA 35 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 529, 530, 531,
/
#
# 40 ASP HN 35 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 529, 530, 531,
/
#
# 40 ASP HN 37 THR HB 5.24
&rst
ixpk= 0, nxpk= 0, iat= 600, 563, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, /
#
# 40 ASP HN 37 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 565, 566, 567,
/
#
# 40 ASP HN 38 GLU QG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 580, 581,
/
#
# 40 ASP HN 38 GLU HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 600, 575, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 40 ASP HN 39 ASP HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= 600, 590, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, /
#
# 40 ASP HN 39 ASP HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 600, 592, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, /
#
# 40 ASP HN 40 ASP HB2 3.37
&rst
ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, /
#
# 40 ASP HA 40 ASP HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 602, 605, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, /
#
# 40 ASP HN 40 ASP HA 3.58
&rst
ixpk= 0, nxpk= 0, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 40 ASP HN 40 ASP HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 40 ASP HN 41 VAL HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 600, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 40 ASP HN 41 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 622, 623, 624,
/
#
# 40 ASP HN 41 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 600, 614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 40 ASP HA 43 GLN QE2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 655, 656,
/
#
# 40 ASP HA 43 GLN HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 602, 651, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 40 ASP HA 43 GLN HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 602, 650, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 41 VAL HN 17 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 244, 245, 246,
/
#
# 41 VAL HN 17 LEU QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 248, 249, 250,
/
#
# 41 VAL HB 17 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 244, 245, 246,
/
#
# 41 VAL HB 17 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 248, 249, 250,
/
#
# 41 VAL HA 19 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 286, 287, 288,
/
#
# 41 VAL QG1 19 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 618, 619, 620,
/
#
# 41 VAL QG1 19 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 618, 619, 620,
igr2= 286, 287, 288,
/
#
# 41 VAL HN 19 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 286, 287, 288,
/
#
# 41 VAL QG2 35 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 622, 623, 624,
igr2= 533, 534, 535,
/
#
# 41 VAL HA 35 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 533, 534, 535,
/
#
# 41 VAL HA 35 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 529, 530, 531,
/
#
# 41 VAL QG2 40 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 622, 623, 624,
/
#
# 41 VAL QG2 40 ASP HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 622, 623, 624,
/
#
# 41 VAL HN 40 ASP HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 612, 604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 41 VAL HN 40 ASP HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, /
#
# 41 VAL HN 40 ASP HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 612, 605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 41 VAL HN 41 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 618, 619, 620,
/
#
# 41 VAL QG1 41 VAL HB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 618, 619, 620,
/
#
# 41 VAL QG2 41 VAL HB 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 622, 623, 624,
/
#
# 41 VAL HA 41 VAL QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 622, 623, 624,
/
#
# 41 VAL HA 41 VAL HB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 614, 616, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, /
#
# 41 VAL HA 41 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 618, 619, 620,
/
#
# 41 VAL HA 41 VAL HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, /
#
# 41 VAL HN 41 VAL HB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, /
#
# 41 VAL HN 41 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 622, 623, 624,
/
#
# 41 VAL HA 43 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 614, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 VAL HA 44 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 664, 665, 666,
/
#
# 41 VAL HA 44 ALA HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 614, 662, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 41 VAL QG2 44 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 622, 623, 624,
igr2= 664, 665, 666,
/
#
# 41 VAL HN 44 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 664, 665, 666,
/
#
# 41 VAL HA 45 ALA QB 6.38
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 674, 675, 676,
/
#
# 41 VAL QG1 45 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 618, 619, 620,
igr2= 674, 675, 676,
/
#
# 41 VAL HB 45 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 674, 675, 676,
/
#
# 42 GLU HN 35 LEU QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 529, 530, 531,
/
#
# 42 GLU HN 38 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 628, 575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 42 GLU HN 39 ASP HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 628, 590, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, /
#
# 42 GLU HN 41 VAL HB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 628, 616, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, /
#
# 42 GLU HN 41 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 618, 619, 620,
/
#
# 42 GLU HN 41 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 622, 623, 624,
/
#
# 42 GLU HN 41 VAL HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, /
#
# 42 GLU HN 41 VAL HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 628, 614, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, /
#
# 42 GLU HA 42 GLU HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 630, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 42 GLU HA 42 GLU HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 42 GLU HN 42 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 42 GLU HN 42 GLU HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, /
#
# 42 GLU HN 42 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 628, 636, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 42 GLU HN 42 GLU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 632, 633,
/
#
# 42 GLU HN 43 GLN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 628, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 42 GLU HN 43 GLN QE2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 655, 656,
/
#
# 42 GLU HN 43 GLN HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 628, 643, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 42 GLU HN 45 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 674, 675, 676,
/
#
# 43 GLN HN 39 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 GLN HB2 40 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 GLN HB3 40 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 648, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 GLN QE2 40 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 655, 656,
/
#
# 43 GLN HN 41 VAL QQG 6.50
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 618, 619, 620, 622, 623, 624,
/
#
# 43 GLN HN 42 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 632, 633,
/
#
# 43 GLN HN 42 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 630, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 GLN HE21 42 GLU QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 632, 633,
/
#
# 43 GLN HN 43 GLN HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 GLN HG2 43 GLN HE21 4.27
&rst
ixpk= 0, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, /
#
# 43 GLN HB3 43 GLN HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= 648, 645, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 43 GLN HN 43 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 GLN HG2 43 GLN HE22 4.66
&rst
ixpk= 0, nxpk= 0, iat= 650, 656, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, /
#
# 43 GLN HB2 43 GLN HA 3.44
&rst
ixpk= 0, nxpk= 0, iat= 647, 645, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, /
#
# 43 GLN HG2 43 GLN HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 650, 647, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, /
#
# 43 GLN QG 43 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 650, 651,
/
#
# 43 GLN HB2 43 GLN HE21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 655, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 GLN HG3 43 GLN HE22 4.60
&rst
ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 43 GLN HN 43 GLN QE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 655, 656,
/
#
# 43 GLN HA 43 GLN HE21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 645, 655, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 GLN HG3 43 GLN HE21 4.47
&rst
ixpk= 0, nxpk= 0, iat= 651, 655, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, /
#
# 43 GLN HB2 43 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 647, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 43 GLN HN 43 GLN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 GLN HN 43 GLN HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat= 643, 647, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 43 GLN HN 43 GLN HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 43 GLN HN 44 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 664, 665, 666,
/
#
# 43 GLN HA 47 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 645, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 GLN HA 47 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 645, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 44 ALA HN 19 ILE QD1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 286, 287, 288,
/
#
# 44 ALA QB 35 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 664, 665, 666,
igr2= 533, 534, 535,
/
#
# 44 ALA QB 35 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 664, 665, 666,
igr2= 529, 530, 531,
/
#
# 44 ALA HN 35 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 533, 534, 535,
/
#
# 44 ALA HN 35 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 529, 530, 531,
/
#
# 44 ALA HN 40 ASP HB3 6.30
&rst
ixpk= 0, nxpk= 0, iat= 660, 605, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 44 ALA HN 40 ASP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 604, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 44 ALA HN 40 ASP HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 660, 602, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, /
#
# 44 ALA HN 41 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 660, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 44 ALA HN 41 VAL QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 622, 623, 624,
/
#
# 44 ALA HN 41 VAL HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 660, 614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 44 ALA HN 42 GLU HA 5.51
&rst
ixpk= 0, nxpk= 0, iat= 660, 630, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, /
#
# 44 ALA HN 42 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 660, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 44 ALA HN 43 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 660, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 44 ALA QB 43 GLN HE21 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 664, 665, 666,
/
#
# 44 ALA HN 43 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 44 ALA HN 43 GLN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 44 ALA HA 43 GLN QE2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 655, 656,
/
#
# 44 ALA HN 43 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 660, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 44 ALA HN 43 GLN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 660, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 44 ALA HN 43 GLN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 660, 647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 44 ALA HN 44 ALA HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= 660, 662, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, /
#
# 44 ALA HN 44 ALA QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 664, 665, 666,
/
#
# 44 ALA QB 44 ALA HA 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 664, 665, 666,
/
#
# 44 ALA HN 45 ALA QB 5.76
&rst
ixpk= 0, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 674, 675, 676,
/
#
# 44 ALA HN 45 ALA HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 660, 670, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 44 ALA HA 47 GLU HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 699, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 44 ALA HA 47 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
/
#
# 44 ALA HA 47 GLU HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 662, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 44 ALA QB 49 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 664, 665, 666,
igr2= 722, 730,
/
#
# 44 ALA QB 49 PHE HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 664, 665, 666,
/
#
# 44 ALA QB 49 PHE HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 664, 665, 666,
/
#
# 45 ALA HN 19 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 286, 287, 288,
/
#
# 45 ALA HN 41 VAL HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 670, 612, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 45 ALA HN 41 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 670, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 45 ALA HN 41 VAL HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 670, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 45 ALA HN 41 VAL QG1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 618, 619, 620,
/
#
# 45 ALA QB 42 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 674, 675, 676,
/
#
# 45 ALA HN 42 GLU HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 670, 630, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, /
#
# 45 ALA HN 43 GLN HA 5.84
&rst
ixpk= 0, nxpk= 0, iat= 670, 645, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, /
#
# 45 ALA HN 44 ALA HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= 670, 662, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, /
#
# 45 ALA HN 44 ALA QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 664, 665, 666,
/
#
# 45 ALA HA 45 ALA QB 3.21
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 674, 675, 676,
/
#
# 45 ALA HN 45 ALA QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 674, 675, 676,
/
#
# 45 ALA HN 45 ALA HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= 670, 672, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 45 ALA HN 46 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 670, 685, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 45 ALA HN 46 ASP HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 670, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 45 ALA HN 46 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 670, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 45 ALA HA 49 PHE QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 722, 730,
/
#
# 45 ALA HA 49 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 672, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 45 ALA HA 49 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 672, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 45 ALA HN 49 PHE HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 670, 714, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00, /
#
# 46 ASP HN 42 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 680, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 46 ASP HN 43 GLN HE21 7.00
&rst
ixpk= 0, nxpk= 0, iat= 680, 655, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 46 ASP HB2 43 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 684, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 46 ASP HB3 43 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 685, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 46 ASP HN 43 GLN HE22 7.00
&rst
ixpk= 0, nxpk= 0, iat= 680, 656, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 46 ASP HN 43 GLN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 680, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 ASP HN 44 ALA QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 664, 665, 666,
/
#
# 46 ASP HN 44 ALA HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 680, 660, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 46 ASP HA 45 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 674, 675, 676,
/
#
# 46 ASP HN 45 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 674, 675, 676,
/
#
# 46 ASP HB3 45 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 674, 675, 676,
/
#
# 46 ASP HN 45 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 680, 672, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 ASP HB2 45 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 674, 675, 676,
/
#
# 46 ASP HN 45 ALA HN 3.49
&rst
ixpk= 0, nxpk= 0, iat= 680, 670, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, /
#
# 46 ASP HN 46 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 680, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 ASP HA 46 ASP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 682, 685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 ASP HA 46 ASP HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 682, 684, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 46 ASP HN 46 ASP HA 3.38
&rst
ixpk= 0, nxpk= 0, iat= 680, 682, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, /
#
# 46 ASP HN 46 ASP HB3 3.37
&rst
ixpk= 0, nxpk= 0, iat= 680, 685, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, /
#
# 46 ASP HB3 47 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 696, 697,
/
#
# 46 ASP HB2 47 GLU HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 684, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 46 ASP HB3 47 GLU HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 46 ASP HB2 47 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 696, 697,
/
#
# 46 ASP HN 47 GLU HG3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 680, 700, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 46 ASP HN 47 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 680, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
/
#
# 46 ASP HN 47 GLU HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 680, 699, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 46 ASP HN 49 PHE HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 680, 714, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00, /
#
# 47 GLU HN 43 GLN QG 5.00 --> 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 650, 651,
/
#
# 47 GLU HN 44 ALA HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 692, 662, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, /
#
# 47 GLU HN 44 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 664, 665, 666,
/
#
# 47 GLU HN 44 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 47 GLU HN 45 ALA HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 692, 670, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 47 GLU HN 45 ALA QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 674, 675, 676,
/
#
# 47 GLU HN 46 ASP HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 47 GLU HN 46 ASP HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 692, 682, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 47 GLU HN 46 ASP HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 692, 680, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, /
#
# 47 GLU HN 46 ASP HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 47 GLU HA 47 GLU QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 696, 697,
/
#
# 47 GLU HA 47 GLU HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 694, 699, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, /
#
# 47 GLU HN 47 GLU HG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 692, 699, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, /
#
# 47 GLU HN 47 GLU HG3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 692, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 47 GLU HN 47 GLU QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 696, 697,
/
#
# 47 GLU HA 47 GLU HG3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 694, 700, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, /
#
# 47 GLU HG3 47 GLU QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 696, 697,
/
#
# 47 GLU HN 47 GLU HA 3.34
&rst
ixpk= 0, nxpk= 0, iat= 692, 694, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, /
#
# 47 GLU HN 48 GLY HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 692, 707, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, /
#
# 47 GLU HN 48 GLY HA2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 692, 709, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, /
#
# 48 GLY HN 22 ARG HB2 7.50
&rst
ixpk= 0, nxpk= 0, iat= 707, 323, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, /
#
# 48 GLY HA2 22 ARG HD3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 709, 330, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 48 GLY HA3 22 ARG QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 329, 330,
/
#
# 48 GLY HN 45 ALA HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 707, 672, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, /
#
# 48 GLY HN 45 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 674, 675, 676,
/
#
# 48 GLY HN 46 ASP HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 707, 685, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 48 GLY HN 46 ASP HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 707, 684, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 48 GLY HN 46 ASP HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 707, 680, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 48 GLY HN 47 GLU HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= 707, 694, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, /
#
# 48 GLY HN 47 GLU QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 696, 697,
/
#
# 48 GLY HN 47 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 707, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 48 GLY HN 47 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 707, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 48 GLY HN 48 GLY HA3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 707, 710, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, /
#
# 48 GLY HN 48 GLY HA2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 707, 709, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 48 GLY HN 49 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 707, 714, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00, /
#
# 49 PHE HN 22 ARG HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 714, 324, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 49 PHE HN 45 ALA HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= 714, 672, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, /
#
# 49 PHE HN 48 GLY HA2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 714, 709, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, /
#
# 49 PHE HN 48 GLY HA3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 714, 710, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, /
#
# 49 PHE HA 49 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 724, 728,
/
#
# 49 PHE QE 49 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 724, 728,
/
#
# 49 PHE QD 49 PHE HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 722, 730,
/
#
# 49 PHE QD 49 PHE HB2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 722, 730,
/
#
# 49 PHE HA 49 PHE QD 3.10
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 722, 730,
/
#
# 49 PHE HB2 49 PHE QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 718, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 724, 728,
/
#
# 49 PHE HB3 49 PHE QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 724, 728,
/
#
# 49 PHE HN 49 PHE HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, /
#
# 49 PHE HA 49 PHE HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 716, 718, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, /
#
# 49 PHE HA 49 PHE HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 716, 719, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, /
#
# 49 PHE HN 49 PHE HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 714, 719, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, /
#
# 50 ASP HA 21 CY1 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 313, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 50 ASP HA 22 ARG HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 736, 326, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 50 ASP HN 49 PHE HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 734, 718, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 50 ASP HA 49 PHE QD 6.17
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 722, 730,
/
#
# 50 ASP HN 49 PHE HA 3.40
&rst
ixpk= 0, nxpk= 0, iat= 734, 716, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 50 ASP HA 49 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 716, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50, /
#
# 50 ASP HN 49 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 734, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 50 ASP HA 50 ASP HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 736, 739, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 50 ASP HA 50 ASP HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, /
#
# 50 ASP HN 50 ASP HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= 734, 736, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, /
#
# 50 ASP HN 50 ASP HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, /
#
# 50 ASP HN 50 ASP HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, /
#
# 50 ASP HB2 51 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 738, 750, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 50 ASP HN 51 CY1 HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 734, 746, r1= 2.30, r2= 2.80, r3= 5.35, r4= 5.85, /
#
# 50 ASP HB2 54 CY1 QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 788, 787,
/
#
# 50 ASP HB3 54 CY1 QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 788, 787,
/
#
# 51 CY1 HN 21 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 746, 313, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 51 CY1 HN 21 CY1 HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 746, 314, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 51 CY1 HN 22 ARG HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 326, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 51 CY1 HN 22 ARG HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 746, 319, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 51 CY1 HN 23 HIE QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 347, 348,
/
#
# 51 CY1 HA 28 MET QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 444, 445, 446,
/
#
# 51 CY1 HN 28 MET QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 444, 445, 446,
/
#
# 51 CY1 HA 49 PHE QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 724, 728,
/
#
# 51 CY1 HB2 49 PHE QE 6.50
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 724, 728,
/
#
# 51 CY1 HA 49 PHE HZ 7.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 51 CY1 HB2 49 PHE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 722, 730,
/
#
# 51 CY1 HB3 49 PHE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 722, 730,
/
#
# 51 CY1 HN 49 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 722, 730,
/
#
# 51 CY1 HN 50 ASP HA 3.38
&rst
ixpk= 0, nxpk= 0, iat= 746, 736, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, /
#
# 51 CY1 HN 50 ASP HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 746, 738, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, /
#
# 51 CY1 HN 50 ASP HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 746, 739, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, /
#
# 51 CY1 HN 51 CY1 HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 746, 750, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 51 CY1 HA 51 CY1 HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 748, 750, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, /
#
# 51 CY1 HA 51 CY1 HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 748, 751, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, /
#
# 51 CY1 HN 51 CY1 HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, /
#
# 51 CY1 HN 51 CY1 HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 751, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 51 CY1 HB3 52 VAL QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 3.30, r2= 3.80, r3= 7.70, r4= 8.20,
igr2= 766, 767, 768,
/
#
# 51 CY1 HA 52 VAL HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 748, 758, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, /
#
# 51 CY1 HA 52 VAL HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= 748, 756, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, /
#
# 51 CY1 HA 52 VAL HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 760, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 51 CY1 HB3 52 VAL QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 3.30, r2= 3.80, r3= 7.70, r4= 8.20,
igr2= 762, 763, 764,
/
#
# 51 CY1 HN 52 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 756, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50, /
#
# 51 CY1 HN 52 VAL HA 6.10
&rst
ixpk= 0, nxpk= 0, iat= 746, 758, r1= 2.30, r2= 2.80, r3= 6.10, r4= 6.60, /
#
# 51 CY1 HN 54 CY1 QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 788, 787,
/
#
# 51 CY1 HN 54 CY1 HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= 746, 783, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 51 CY1 HN 55 GLN HE21 6.50
&rst
ixpk= 0, nxpk= 0, iat= 746, 805, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 51 CY1 HA 55 GLN HE21 7.00
&rst
ixpk= 0, nxpk= 0, iat= 748, 805, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 51 CY1 HN 55 GLN QG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 800, 801,
/
#
# 51 CY1 HN 55 GLN HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 793, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 51 CY1 HN 58 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr2= 851, 852, 853, 855, 856, 857,
/
#
# 52 VAL HN 51 CY1 HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 756, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 52 VAL HN 51 CY1 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 756, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 52 VAL HB 51 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 760, 750, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 52 VAL HN 52 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 762, 763, 764,
/
#
# 52 VAL HB 52 VAL QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 766, 767, 768,
/
#
# 52 VAL HA 52 VAL QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 766, 767, 768,
/
#
# 52 VAL HA 52 VAL QG1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 762, 763, 764,
/
#
# 52 VAL HN 52 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 756, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 52 VAL HA 52 VAL HB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, /
#
# 52 VAL HB 52 VAL QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 762, 763, 764,
/
#
# 52 VAL HA 52 VAL HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 758, 756, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, /
#
# 52 VAL HN 52 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 766, 767, 768,
/
#
# 52 VAL HA 55 GLN HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 758, 798, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00, /
#
# 52 VAL HA 55 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 2.30, r2= 2.80, r3= 6.17, r4= 6.67,
igr2= 800, 801,
/
#
# 52 VAL HA 55 GLN HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 758, 797, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, /
#
# 52 VAL HA 55 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 758, 805, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00, /
#
# 52 VAL HA 55 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 758, 806, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00, /
#
# 52 VAL HA 56 PRO HD3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 758, 812, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50, /
#
# 53 SER HN 51 CY1 HN 6.01
&rst
ixpk= 0, nxpk= 0, iat= 772, 746, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, /
#
# 53 SER HN 51 CY1 HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 53 SER HN 51 CY1 HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 53 SER QB 52 VAL HB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 776, 777,
/
#
# 53 SER QB 52 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 776, 777,
igr2= 766, 767, 768,
/
#
# 53 SER QB 52 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 776, 777,
igr2= 762, 763, 764,
/
#
# 53 SER HN 52 VAL HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= 772, 758, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, /
#
# 53 SER HA 52 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 766, 767, 768,
/
#
# 53 SER HA 52 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 762, 763, 764,
/
#
# 53 SER QB 52 VAL HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 3.30, r2= 3.80, r3= 7.30, r4= 7.80,
igr1= 776, 777,
/
#
# 53 SER HN 52 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 SER HN 52 VAL HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 772, 756, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 53 SER HN 52 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 762, 763, 764,
/
#
# 53 SER HN 52 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 766, 767, 768,
/
#
# 53 SER HN 53 SER HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 53 SER QB 53 SER HA 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 776, 777,
/
#
# 53 SER HN 53 SER QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 776, 777,
/
#
# 53 SER HN 54 CY1 QB 5.35
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 788, 787,
/
#
# 53 SER QB 54 CY1 HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 776, 777,
/
#
# 53 SER HN 54 CY1 HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 772, 783, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, /
#
# 53 SER HN 55 GLN HE22 7.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 806, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 53 SER HN 55 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 793, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 SER HN 55 GLN HE21 7.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 805, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 53 SER HN 55 GLN HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 772, 797, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 53 SER HA 56 PRO HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 811, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 53 SER HA 56 PRO HD3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 812, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 53 SER HN 56 PRO HD3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 812, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HA 23 HIE HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 QB 23 HIE HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 788, 787,
/
#
# 54 CY1 QB 50 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 788, 787,
/
#
# 54 CY1 HN 50 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 783, 739, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HN 51 CY1 HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 783, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 54 CY1 HN 51 CY1 HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 783, 750, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 CY1 HA 52 VAL HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 756, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HN 52 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783, 758, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50, /
#
# 54 CY1 HN 52 VAL QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 766, 767, 768,
/
#
# 54 CY1 HN 52 VAL HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 783, 760, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HN 52 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 762, 763, 764,
/
#
# 54 CY1 HN 52 VAL HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 783, 756, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HN 53 SER HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 783, 774, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, /
#
# 54 CY1 QB 54 CY1 HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 788, 787,
/
#
# 54 CY1 HN 54 CY1 QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 788, 787,
/
#
# 54 CY1 HN 54 CY1 HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 54 CY1 QB 55 GLN HA 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 788, 787,
/
#
# 54 CY1 HN 55 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 800, 801,
/
#
# 54 CY1 HN 55 GLN HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 783, 797, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HN 55 GLN HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 783, 795, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, /
#
# 54 CY1 HN 55 GLN HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 783, 793, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, /
#
# 54 CY1 HN 55 GLN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 783, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 54 CY1 HA 56 PRO HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HN 56 PRO HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 783, 811, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 CY1 HA 56 PRO HD3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 812, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HN 56 PRO HD3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 783, 812, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 54 CY1 HN 57 TYR HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 783, 824, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 54 CY1 HA 57 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 832, 841,
/
#
# 54 CY1 HA 57 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 834, 839,
/
#
# 54 CY1 HA 57 TYR QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 828, 829,
/
#
# 54 CY1 HA 57 TYR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 785, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 54 CY1 QB 58 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 788, 787,
igr2= 851, 852, 853, 855, 856, 857,
/
#
# 54 CY1 HN 58 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr2= 851, 852, 853, 855, 856, 857,
/
#
# 55 GLN HA 50 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 795, 739, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 55 GLN QG 50 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 800, 801,
/
#
# 55 GLN HE22 50 ASP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 806, 739, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLN HE21 50 ASP HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 805, 739, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 55 GLN HN 50 ASP HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 793, 739, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 55 GLN HN 50 ASP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 736, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 55 GLN HE21 51 CY1 HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 751, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 55 GLN HE21 51 CY1 HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 750, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 55 GLN HN 52 VAL HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 793, 760, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00, /
#
# 55 GLN QG 52 VAL QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr1= 800, 801,
igr2= 766, 767, 768,
/
#
# 55 GLN QG 52 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
igr1= 800, 801,
igr2= 762, 763, 764,
/
#
# 55 GLN HN 52 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 758, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 GLN HN 52 VAL QG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
igr2= 766, 767, 768,
/
#
# 55 GLN HN 52 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
igr2= 762, 763, 764,
/
#
# 55 GLN HE22 52 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 3.30, r2= 3.80, r3= 7.21, r4= 7.71,
igr2= 766, 767, 768,
/
#
# 55 GLN HE21 52 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 3.30, r2= 3.80, r3= 7.21, r4= 7.71,
igr2= 766, 767, 768,
/
#
# 55 GLN HE22 52 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 762, 763, 764,
/
#
# 55 GLN HE21 52 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
igr2= 762, 763, 764,
/
#
# 55 GLN HN 53 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 793, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLN HN 54 CY1 HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 793, 785, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, /
#
# 55 GLN HN 54 CY1 QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 788, 787,
/
#
# 55 GLN HN 55 GLN QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 800, 801,
/
#
# 55 GLN HN 55 GLN HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, /
#
# 55 GLN HA 55 GLN QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 797, 798,
/
#
# 55 GLN HA 55 GLN QG 3.67
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 800, 801,
/
#
# 55 GLN HA 55 GLN HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 795, 798, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, /
#
# 55 GLN HB3 55 GLN QG 2.93
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 800, 801,
/
#
# 55 GLN HB2 55 GLN QG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 800, 801,
/
#
# 55 GLN HA 55 GLN HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 795, 797, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 55 GLN HN 55 GLN HE21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLN HN 55 GLN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 55 GLN HN 55 GLN HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= 793, 795, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 55 GLN HE22 55 GLN QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 800, 801,
/
#
# 55 GLN HE22 55 GLN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 806, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLN HE21 55 GLN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLN HE21 55 GLN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 805, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 GLN HE21 55 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 805, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLN HE21 55 GLN QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 800, 801,
/
#
# 55 GLN HE22 55 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 806, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 55 GLN HE22 55 GLN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 806, 795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLN HN 56 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLN HA 56 PRO HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 795, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 55 GLN HA 56 PRO HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 795, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 55 GLN HN 56 PRO HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 815, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLN HN 56 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 814, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 55 GLN HN 56 PRO HD3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 793, 812, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, /
#
# 55 GLN HN 56 PRO HD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 793, 811, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 55 GLN QE2 56 PRO QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 805, 806,
igr2= 811, 812,
/
#
# 55 GLN HA 58 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 851, 852, 853,
/
#
# 55 GLN HN 58 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 851, 852, 853,
/
#
# 55 GLN HE21 58 VAL QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 851, 852, 853,
/
#
# 55 GLN HE22 58 VAL QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 851, 852, 853,
/
#
# 55 GLN HE22 59 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 3.30, r2= 3.80, r3= 8.00, r4= 8.50,
igr2= 867, 868, 869, 871, 872, 873,
/
#
# 55 GLN HE21 59 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 3.30, r2= 3.80, r3= 8.00, r4= 8.50,
igr2= 867, 868, 869, 871, 872, 873,
/
#
# 55 GLN QG 59 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 3.30, r2= 3.80, r3=10.59, r4=11.09,
igr1= 800, 801,
igr2= 867, 868, 869, 871, 872, 873,
/
#
# 56 PRO HD3 55 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 56 PRO HD3 55 GLN QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 800, 801,
/
#
# 56 PRO HD2 55 GLN QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 800, 801,
/
#
# 56 PRO HD3 55 GLN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 56 PRO HD2 55 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 811, 798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 56 PRO HD2 55 GLN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 811, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 56 PRO HD3 56 PRO HG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 812, 814, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, /
#
# 56 PRO HD2 56 PRO HG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 811, 814, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, /
#
# 56 PRO HA 56 PRO HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 820, 812, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, /
#
# 56 PRO HD3 56 PRO HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 812, 817, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, /
#
# 56 PRO HD3 56 PRO HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 812, 818, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, /
#
# 56 PRO HA 56 PRO HG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 820, 814, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, /
#
# 56 PRO HA 56 PRO HB2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 820, 817, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, /
#
# 56 PRO HB2 56 PRO HG3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 817, 815, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, /
#
# 56 PRO HA 56 PRO HD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 820, 811, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, /
#
# 56 PRO HD2 56 PRO HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 811, 818, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, /
#
# 56 PRO HB3 56 PRO HG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 818, 814, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, /
#
# 56 PRO HA 56 PRO HG3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 820, 815, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, /
#
# 56 PRO HD2 56 PRO HG3 3.56
&rst
ixpk= 0, nxpk= 0, iat= 811, 815, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, /
#
# 56 PRO HB3 56 PRO HG3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 818, 815, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, /
#
# 56 PRO HA 56 PRO HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, /
#
# 56 PRO HD3 56 PRO HG3 3.54
&rst
ixpk= 0, nxpk= 0, iat= 812, 815, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, /
#
# 56 PRO HD3 57 TYR QE 7.50
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2= 834, 839,
/
#
# 56 PRO QB 57 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 817, 818,
igr2= 834, 839,
/
#
# 56 PRO HG2 57 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 834, 839,
/
#
# 56 PRO HD2 58 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr2= 851, 852, 853, 855, 856, 857,
/
#
# 56 PRO HA 59 VAL QQG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 3.30, r2= 3.80, r3= 8.00, r4= 8.50,
igr2= 867, 868, 869, 871, 872, 873,
/
#
# 57 TYR HN 55 GLN HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 797, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 57 TYR HN 55 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 824, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 57 TYR HN 55 GLN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 57 TYR HN 55 GLN QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 800, 801,
/
#
# 57 TYR QD 56 PRO HD2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 832, 841,
/
#
# 57 TYR QD 56 PRO HD3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 832, 841,
/
#
# 57 TYR QD 56 PRO HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 832, 841,
/
#
# 57 TYR QD 56 PRO HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 832, 841,
/
#
# 57 TYR HN 56 PRO HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 824, 817, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, /
#
# 57 TYR HA 56 PRO HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 826, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 57 TYR HN 56 PRO HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 818, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 TYR HN 56 PRO HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 824, 820, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 57 TYR HN 56 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 812, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 TYR HN 56 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 814, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 57 TYR HN 56 PRO HD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 824, 811, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, /
#
# 57 TYR HN 56 PRO HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 815, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 57 TYR HN 57 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 832, 841,
/
#
# 57 TYR QD 57 TYR QE 2.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 832, 841,
igr2= 834, 839,
/
#
# 57 TYR HB2 57 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 834, 839,
/
#
# 57 TYR HB3 57 TYR QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 834, 839,
/
#
# 57 TYR QD 57 TYR HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 832, 841,
/
#
# 57 TYR QD 57 TYR HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 832, 841,
/
#
# 57 TYR QD 57 TYR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 832, 841,
/
#
# 57 TYR HA 57 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 834, 839,
/
#
# 57 TYR HN 57 TYR HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 829, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 57 TYR HN 57 TYR HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 828, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 57 TYR HN 57 TYR HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= 824, 826, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, /
#
# 57 TYR HA 57 TYR HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 826, 828, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, /
#
# 57 TYR HA 57 TYR HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 826, 829, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, /
#
# 57 TYR HB2 58 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 851, 852, 853,
/
#
# 57 TYR HB3 58 VAL QG1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 851, 852, 853,
/
#
# 57 TYR HB3 58 VAL HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 829, 847, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 57 TYR HN 58 VAL HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 824, 845, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 57 TYR HN 58 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 851, 852, 853,
/
#
# 57 TYR HA 59 VAL HN 6.22
&rst
ixpk= 0, nxpk= 0, iat= 826, 861, r1= 2.30, r2= 2.80, r3= 6.22, r4= 6.72, /
#
# 58 VAL QQG 23 HIE HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 851, 852, 853, 855, 856, 857,
/
#
# 58 VAL QQG 50 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 851, 852, 853, 855, 856, 857,
/
#
# 58 VAL QQG 50 ASP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 851, 852, 853, 855, 856, 857,
/
#
# 58 VAL QG2 54 CY1 HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 855, 856, 857,
/
#
# 58 VAL QQG 55 GLN QB 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 851, 852, 853, 855, 856, 857,
igr2= 797, 798,
/
#
# 58 VAL QQG 55 GLN QG 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 851, 852, 853, 855, 856, 857,
igr2= 800, 801,
/
#
# 58 VAL HN 56 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 845, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 58 VAL HN 57 TYR HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 845, 828, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 58 VAL HN 57 TYR HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 845, 829, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, /
#
# 58 VAL HN 57 TYR HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= 845, 826, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, /
#
# 58 VAL HB 57 TYR HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 849, 824, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 58 VAL HN 58 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 855, 856, 857,
/
#
# 58 VAL HN 58 VAL QG1 4.10
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 851, 852, 853,
/
#
# 58 VAL HN 58 VAL HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, /
#
# 58 VAL HA 58 VAL HB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, /
#
# 58 VAL HN 58 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 VAL QG1 58 VAL HB 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 851, 852, 853,
/
#
# 58 VAL QG2 58 VAL HB 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 855, 856, 857,
/
#
# 58 VAL QG1 58 VAL HA 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 851, 852, 853,
/
#
# 58 VAL HA 59 VAL HN 3.30
&rst
ixpk= 0, nxpk= 0, iat= 847, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, /
#
# 58 VAL HN 59 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 845, 861, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50, /
#
# 58 VAL HB 59 VAL HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 849, 861, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, /
#
# 58 VAL QG1 59 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 2.30, r2= 2.80, r3= 7.21, r4= 7.71,
igr1= 851, 852, 853,
/
#
# 58 VAL QG2 59 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
igr1= 855, 856, 857,
/
#
# 58 VAL QG1 59 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
igr1= 851, 852, 853,
/
#
# 58 VAL HA 59 VAL HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 847, 865, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00, /
#
# 58 VAL HA 59 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
igr2= 867, 868, 869, 871, 872, 873,
/
#
# 58 VAL QG1 60 LYS HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 851, 852, 853,
/
#
# 58 VAL QG2 60 LYS HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 855, 856, 857,
/
#
# 58 VAL QG1 60 LYS HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 851, 852, 853,
/
#
# 59 VAL QQG 59 VAL HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 867, 868, 869, 871, 872, 873,
/
#
# 59 VAL HA 59 VAL HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, /
#
# 59 VAL HN 59 VAL HB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 861, 865, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, /
#
# 59 VAL HA 59 VAL HB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, /
#
# 59 VAL QQG 59 VAL HB 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 867, 868, 869, 871, 872, 873,
/
#
# 59 VAL QQG 59 VAL HA 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 867, 868, 869, 871, 872, 873,
/
#
# 59 VAL HA 60 LYS HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 863, 877, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 59 VAL QQG 60 LYS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 867, 868, 869, 871, 872, 873,
/
#
# 59 VAL QQG 60 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 879, r1= 2.30, r2= 2.80, r3= 8.00, r4= 8.50,
igr1= 867, 868, 869, 871, 872, 873,
/
#
# 59 VAL HA 60 LYS QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 881, 882,
/
#
# 60 LYS HN 59 VAL HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 877, 865, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, /
#
# 60 LYS HN 60 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 884, 885,
/
#
# 60 LYS HN 60 LYS HA 3.57
&rst
ixpk= 0, nxpk= 0, iat= 877, 879, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, /
#
# 60 LYS HA 60 LYS HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, /
#
# 60 LYS QG 60 LYS QE 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 884, 885,
igr2= 890, 891,
/
#
# 60 LYS HN 60 LYS QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 881, 882,
/
#
# 60 LYS QG 60 LYS QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 884, 885,
igr2= 887, 888,
/
#
# 60 LYS HB3 60 LYS QG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 884, 885,
/
#
# 60 LYS HA 60 LYS QD 5.09
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 887, 888,
/
#
# 60 LYS HA 60 LYS QG 4.29
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 884, 885,
/
#
# 60 LYS QE 60 LYS QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 890, 891,
igr2= 887, 888,
/
#
# 60 LYS QG 60 LYS HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 884, 885,
/
#
# 60 LYS HA 60 LYS HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 879, 881, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, /
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