NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
631053 |
6e83   |
30501 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# 9 VAL QG1 68 LYS HE2 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 118, 119, 120,
&end
#
# 10 GLY HA3 67 THR HB 5.42
&rst
ixpk= 0, nxpk= 0, iat= 131, 997, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 10 GLY HA2 67 THR HB 6.05
&rst
ixpk= 0, nxpk= 0, iat= 130, 997, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 10 GLY HA2 68 LYS HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 130,1014, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 10 GLY HA3 68 LYS HG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 131,1014, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 11 PHE HA 66 ARG HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 137, 971, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 11 PHE HN 67 THR QG2 5.56
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 999,1000,1001,
&end
#
# 12 LYS HG2 65 ALA HA 6.46
&rst
ixpk= 0, nxpk= 0, iat= 162, 961, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 12 LYS HN 65 ALA QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 963, 964, 965,
&end
#
# 12 LYS HN 66 ARG HA 5.83
&rst
ixpk= 0, nxpk= 0, iat= 155, 971, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 13 CYS HN 65 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 963, 964, 965,
&end
#
# 36 SER HB3 66 ARG HD2 5.87
&rst
ixpk= 0, nxpk= 0, iat= 516, 979, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 36 SER HB3 66 ARG HB2 5.59
&rst
ixpk= 0, nxpk= 0, iat= 516, 973, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 36 SER HB2 66 ARG HB2 6.25
&rst
ixpk= 0, nxpk= 0, iat= 515, 973, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 36 SER HN 66 ARG HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 511, 973, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 37 LEU QD1 65 ALA HT 6.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 531, 532, 533,
igr2= 957, 958, 959,
&end
#
# 38 ASP HA 65 ALA HT 6.67
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr2= 957, 958, 959,
&end
#
# 65 ALA QB 11 PHE HA 6.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 12 LYS HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 12 LYS HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 12 LYS HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 12 LYS HG3 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 12 LYS HG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 12 LYS HE2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 12 LYS HD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 13 CYS HA 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 14 ASP HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 14 ASP HB2 6.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 14 ASP HB3 6.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 14 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 36 SER HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 37 LEU HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 37 LEU QD2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 963, 964, 965,
igr2= 535, 536, 537,
&end
#
# 65 ALA QB 37 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 963, 964, 965,
igr2= 531, 532, 533,
&end
#
# 65 ALA QB 38 ASP HN 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 963, 964, 965,
&end
#
# 66 ARG HG2 36 SER HB2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 976, 515, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 66 ARG HG2 36 SER HB3 5.74
&rst
ixpk= 0, nxpk= 0, iat= 976, 516, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 67 THR HA 10 GLY HA3 6.07
&rst
ixpk= 0, nxpk= 0, iat= 995, 131, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 67 THR HA 10 GLY HA2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 995, 130, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 67 THR QG2 10 GLY HA2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 10 GLY HA3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 11 PHE HA 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HG3 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HE2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 19 GLU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 19 GLU HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 20 PRO HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 20 PRO HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 999,1000,1001,
&end
#
# 12 LYS HG2 65 ALA HA 6.43
&rst
ixpk= 0, nxpk= 0, iat= 162, 961, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, &end
#
# 12 LYS HN 66 ARG HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 155, 971, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 11 PHE HB3 66 ARG HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 140, 971, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 11 PHE HA 66 ARG HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 137, 971, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 11 PHE HN 66 ARG HA 6.03
&rst
ixpk= 0, nxpk= 0, iat= 135, 971, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 11 PHE HN 67 THR QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 999,1000,1001,
&end
#
# 10 GLY HA3 67 THR HB 5.45
&rst
ixpk= 0, nxpk= 0, iat= 131, 997, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 10 GLY HA2 67 THR HB 6.04
&rst
ixpk= 0, nxpk= 0, iat= 130, 997, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 10 GLY HA2 68 LYS HG2 5.91
&rst
ixpk= 0, nxpk= 0, iat= 130,1014, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 10 GLY HA3 68 LYS HG2 6.76
&rst
ixpk= 0, nxpk= 0, iat= 131,1014, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, &end
#
# 9 VAL QG1 68 LYS HE2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 118, 119, 120,
&end
#
# 36 SER HB3 66 ARG HD2 6.68
&rst
ixpk= 0, nxpk= 0, iat= 516, 979, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, &end
#
# 65 ALA QB 11 PHE HA 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 12 LYS HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 13 CYS HA 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 14 ASP HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 14 ASP HN 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 36 SER HN 6.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 37 LEU HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 963, 964, 965,
&end
#
# 65 ALA QB 37 LEU QD2 6.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57,
igr1= 963, 964, 965,
igr2= 535, 536, 537,
&end
#
# 65 ALA QB 37 LEU QD1 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 963, 964, 965,
igr2= 531, 532, 533,
&end
#
# 65 ALA QB 38 ASP HN 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 963, 964, 965,
&end
#
# 66 ARG HD2 36 SER HN 6.55
&rst
ixpk= 0, nxpk= 0, iat= 979, 511, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 67 THR HA 10 GLY HA3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 995, 131, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 67 THR QG2 10 GLY HA2 6.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 10 GLY HA3 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 11 PHE HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 12 LYS HE2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 168, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 19 GLU HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 999,1000,1001,
&end
#
# 67 THR QG2 20 PRO HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 999,1000,1001,
&end
#
# 2 PRO HA 2 PRO HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 21, 18, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 2 PRO HA 2 PRO HD2 5.98
&rst
ixpk= 0, nxpk= 0, iat= 21, 12, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 2 PRO HA 2 PRO HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 21, 15, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 2 PRO HG2 2 PRO HB3 2.65
&rst
ixpk= 0, nxpk= 0, iat= 15, 19, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 2 PRO HG2 2 PRO HD2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 15, 12, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 2 PRO HB3 2 PRO HD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 19, 12, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 2 PRO HA 2 PRO HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 21, 19, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 2 PRO HB2 2 PRO HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 18, 12, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 2 PRO HG2 2 PRO HB2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 15, 18, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 3 LEU QD1 3 LEU HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 34, 35, 36,
&end
#
# 3 LEU QD2 3 LEU HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 38, 39, 40,
&end
#
# 3 LEU QD1 3 LEU HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 34, 35, 36,
&end
#
# 3 LEU HG 3 LEU HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 32, 30, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 3 LEU HG 3 LEU QD2 2.06
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 38, 39, 40,
&end
#
# 3 LEU HA 3 LEU HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 27, 29, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 3 LEU HG 3 LEU HB2 2.94
&rst
ixpk= 0, nxpk= 0, iat= 32, 29, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 3 LEU HN 3 LEU HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 25, 29, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 3 LEU HA 3 LEU HG 3.71
&rst
ixpk= 0, nxpk= 0, iat= 27, 32, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 3 LEU QD1 3 LEU HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 34, 35, 36,
&end
#
# 3 LEU HA 3 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 38, 39, 40,
&end
#
# 3 LEU HA 3 LEU QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 34, 35, 36,
&end
#
# 3 LEU HA 3 LEU HB3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 27, 30, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 3 LEU HN 3 LEU HB3 6.25
&rst
ixpk= 0, nxpk= 0, iat= 25, 30, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 3 LEU QD1 3 LEU HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 34, 35, 36,
&end
#
# 3 LEU QD2 3 LEU HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 38, 39, 40,
&end
#
# 3 LEU HN 3 LEU HG 6.54
&rst
ixpk= 0, nxpk= 0, iat= 25, 32, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end
#
# 3 LEU HN 3 LEU HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 25, 27, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 3 LEU HN 3 LEU QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 34, 35, 36,
&end
#
# 3 LEU HN 3 LEU QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 38, 39, 40,
&end
#
# 4 GLY HA2 4 GLY HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 46, 44, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 5 SER HA 5 SER HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 53, 55, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 5 SER HA 5 SER HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 53, 51, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 5 SER HB2 5 SER HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 55, 51, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 6 VAL HA 6 VAL HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 64, 62, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 6 VAL QG2 6 VAL HB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 72, 73, 74,
&end
#
# 6 VAL HA 6 VAL QG1 3.46
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 68, 69, 70,
&end
#
# 6 VAL HA 6 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 72, 73, 74,
&end
#
# 6 VAL HA 6 VAL HB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 64, 66, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 6 VAL QG1 6 VAL HB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 68, 69, 70,
&end
#
# 6 VAL HN 6 VAL HB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 62, 66, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 6 VAL QG2 6 VAL QG1 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 72, 73, 74,
igr2= 68, 69, 70,
&end
#
# 6 VAL HN 6 VAL QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 68, 69, 70,
&end
#
# 6 VAL HN 6 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 72, 73, 74,
&end
#
# 7 GLN HB2 7 GLN HG3 4.20
&rst
ixpk= 0, nxpk= 0, iat= 82, 86, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 7 GLN HB2 7 GLN HG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 82, 85, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 7 GLN HB3 7 GLN HG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 83, 85, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 7 GLN HN 7 GLN HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 78, 80, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 7 GLN HA 7 GLN HB3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 80, 83, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 GLN HN 7 GLN HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 78, 86, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 7 GLN HN 7 GLN HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 7 GLN HN 7 GLN HG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 78, 85, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 7 GLN HA 7 GLN HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 80, 85, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 7 GLN HA 7 GLN HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 80, 82, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 7 GLN HA 7 GLN HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 80, 86, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 7 GLN HE21 7 GLN HG2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 90, 85, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 7 GLN HE21 7 GLN HG3 5.78
&rst
ixpk= 0, nxpk= 0, iat= 90, 86, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 7 GLN HB3 7 GLN HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 83, 86, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 7 GLN HN 7 GLN HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 7 GLN HE22 7 GLN HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 91, 85, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 7 GLN HB2 7 GLN HE21 5.86
&rst
ixpk= 0, nxpk= 0, iat= 82, 90, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 7 GLN HB2 7 GLN HE22 5.58
&rst
ixpk= 0, nxpk= 0, iat= 82, 91, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 7 GLN HB3 7 GLN HE22 5.69
&rst
ixpk= 0, nxpk= 0, iat= 83, 91, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 7 GLN HE22 7 GLN HG3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 91, 86, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 7 GLN HB3 7 GLN HE21 5.53
&rst
ixpk= 0, nxpk= 0, iat= 83, 90, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 8 HIS HB3 8 HIS HE1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 100, 104, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 8 HIS HA 8 HIS HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 97, 100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 8 HIS HB2 8 HIS HE1 6.51
&rst
ixpk= 0, nxpk= 0, iat= 99, 104, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 8 HIS HN 8 HIS HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 95, 100, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 8 HIS HA 8 HIS HE1 5.97
&rst
ixpk= 0, nxpk= 0, iat= 97, 104, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 8 HIS HA 8 HIS HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 97, 99, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 8 HIS HN 8 HIS HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 95, 99, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 8 HIS HN 8 HIS HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 95, 108, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 8 HIS HN 8 HIS HA 5.67
&rst
ixpk= 0, nxpk= 0, iat= 95, 97, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 9 VAL QG1 9 VAL HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 118, 119, 120,
&end
#
# 9 VAL QG2 9 VAL HB 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 122, 123, 124,
&end
#
# 9 VAL HA 9 VAL HB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 9 VAL HN 9 VAL HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 9 VAL QG2 9 VAL HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 9 VAL HB 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 116, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 118, 119, 120,
&end
#
# 9 VAL HN 9 VAL HB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 9 VAL QG2 9 VAL HN 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 9 VAL HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 118, 119, 120,
&end
#
# 10 GLY HA2 10 GLY HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 130, 128, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 10 GLY HA3 10 GLY HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 131, 128, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 11 PHE QD 11 PHE HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 143, 151,
&end
#
# 11 PHE HA 11 PHE HB2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 137, 139, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 11 PHE HN 11 PHE HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 135, 140, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 11 PHE HN 11 PHE HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 11 PHE QD 11 PHE HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 143, 151,
&end
#
# 11 PHE HA 11 PHE HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 137, 140, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 11 PHE HA 11 PHE QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 143, 151,
&end
#
# 11 PHE HN 11 PHE HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 135, 139, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 11 PHE HN 11 PHE QD 4.05
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 143, 151,
&end
#
# 11 PHE HN 11 PHE QE 6.42
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 145, 149,
&end
#
# 12 LYS HN 12 LYS HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 155, 160, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 12 LYS HG2 12 LYS HD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 162, 165, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 12 LYS HG3 12 LYS HD2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 163, 165, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 12 LYS HB2 12 LYS HD2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 159, 165, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 LYS HB2 12 LYS HG3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 159, 163, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 12 LYS HE2 12 LYS HD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 168, 165, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 12 LYS HB3 12 LYS HE2 6.33
&rst
ixpk= 0, nxpk= 0, iat= 160, 168, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 12 LYS HG2 12 LYS HE2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 162, 168, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 12 LYS HB3 12 LYS HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 160, 162, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 12 LYS HB2 12 LYS HE2 6.07
&rst
ixpk= 0, nxpk= 0, iat= 159, 168, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 12 LYS HA 12 LYS HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 157, 159, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 12 LYS HG3 12 LYS HE2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 12 LYS HA 12 LYS HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 157, 163, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 12 LYS HB2 12 LYS HG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 159, 162, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 12 LYS HA 12 LYS HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 157, 165, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 12 LYS HA 12 LYS HG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 157, 162, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 12 LYS HA 12 LYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 LYS HB3 12 LYS HD2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 160, 165, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 12 LYS HN 12 LYS HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 155, 159, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 12 LYS HB3 12 LYS HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 160, 163, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 12 LYS HA 12 LYS HE2 6.94
&rst
ixpk= 0, nxpk= 0, iat= 157, 168, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 12 LYS HN 12 LYS HG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 12 LYS HN 12 LYS HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 13 CYS HA 13 CYS HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 13 CYS HN 13 CYS HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 13 CYS HA 13 CYS HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 179, 182, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 13 CYS HN 13 CYS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 13 CYS HN 13 CYS HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 ASP HA 14 ASP HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 189, 192, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 14 ASP HA 14 ASP HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 189, 191, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 14 ASP HN 14 ASP HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 14 ASP HN 14 ASP HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 ASP HN 14 ASP HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 187, 189, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 15 ASN HN 15 ASN HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 15 ASN HB3 15 ASN HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 204, 201, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 ASN HB2 15 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 203, 201, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 15 ASN HN 15 ASN HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 15 ASN HD21 15 ASN HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= 208, 201, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 15 ASN HN 15 ASN HD22 6.22
&rst
ixpk= 0, nxpk= 0, iat= 199, 209, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, &end
#
# 15 ASN HN 15 ASN HD21 7.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 ASN HB3 15 ASN HD22 5.08
&rst
ixpk= 0, nxpk= 0, iat= 204, 209, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 15 ASN HD22 15 ASN HA 6.34
&rst
ixpk= 0, nxpk= 0, iat= 209, 201, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 15 ASN HB2 15 ASN HD22 5.13
&rst
ixpk= 0, nxpk= 0, iat= 203, 209, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 15 ASN HB2 15 ASN HD21 5.56
&rst
ixpk= 0, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 15 ASN HN 15 ASN HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 15 ASN HB3 15 ASN HD21 5.47
&rst
ixpk= 0, nxpk= 0, iat= 204, 208, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 16 CYS HA 16 CYS HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 16 CYS HA 16 CYS HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 215, 218, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 16 CYS HN 16 CYS HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 16 CYS HA 16 CYS HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 16 CYS HN 16 CYS HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 17 GLY HN 17 GLY HA2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 223, 225, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 GLY HN 17 GLY HA3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 223, 226, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 18 ILE HN 18 ILE HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 18 ILE HG13 18 ILE HA 3.46
&rst
ixpk= 0, nxpk= 0, iat= 241, 232, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 18 ILE QD1 18 ILE HB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 243, 244, 245,
&end
#
# 18 ILE QG2 18 ILE HG12 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 236, 237, 238,
&end
#
# 18 ILE QG2 18 ILE HG13 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 236, 237, 238,
&end
#
# 18 ILE HA 18 ILE HB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 232, 234, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 18 ILE HG13 18 ILE QD1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 243, 244, 245,
&end
#
# 18 ILE QG2 18 ILE QD1 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 236, 237, 238,
igr2= 243, 244, 245,
&end
#
# 18 ILE HG12 18 ILE HB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 240, 234, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 18 ILE QG2 18 ILE HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 236, 237, 238,
&end
#
# 18 ILE QG2 18 ILE HB 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 236, 237, 238,
&end
#
# 18 ILE QD1 18 ILE HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 243, 244, 245,
&end
#
# 18 ILE HG13 18 ILE HB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 241, 234, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 18 ILE HG12 18 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 243, 244, 245,
&end
#
# 18 ILE HG12 18 ILE HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= 240, 232, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 18 ILE HN 18 ILE HG12 4.69
&rst
ixpk= 0, nxpk= 0, iat= 230, 240, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 18 ILE HN 18 ILE HG13 4.53
&rst
ixpk= 0, nxpk= 0, iat= 230, 241, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 18 ILE HN 18 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 243, 244, 245,
&end
#
# 18 ILE HN 18 ILE HB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 18 ILE QG2 18 ILE HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 236, 237, 238,
&end
#
# 19 GLU HB2 19 GLU HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 253, 249, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 19 GLU HN 19 GLU HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 249, 251, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 19 GLU HB3 19 GLU HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 254, 251, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 19 GLU HB2 19 GLU HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 19 GLU HB3 19 GLU HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 254, 249, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 20 PRO HA 20 PRO HG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 274, 268, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 PRO HA 20 PRO HD2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 274, 265, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 20 PRO HG2 20 PRO HD2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 268, 265, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 20 PRO HA 20 PRO HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 274, 269, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 20 PRO HG3 20 PRO HD2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 269, 265, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 20 PRO HG2 20 PRO HD3 6.33
&rst
ixpk= 0, nxpk= 0, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 20 PRO HG3 20 PRO HD3 5.58
&rst
ixpk= 0, nxpk= 0, iat= 269, 266, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 20 PRO HB3 20 PRO HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 272, 268, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 20 PRO HB2 20 PRO HG2 5.61
&rst
ixpk= 0, nxpk= 0, iat= 271, 268, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 20 PRO HB3 20 PRO HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 272, 269, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 20 PRO HB2 20 PRO HG3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 271, 269, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 20 PRO HB2 20 PRO HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 271, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 20 PRO HB3 20 PRO HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 20 PRO HA 20 PRO HD3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 274, 266, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 21 ILE QD1 21 ILE HG12 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 291, 292, 293,
&end
#
# 21 ILE QD1 21 ILE QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 291, 292, 293,
igr2= 284, 285, 286,
&end
#
# 21 ILE HA 21 ILE QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 284, 285, 286,
&end
#
# 21 ILE QD1 21 ILE HG13 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 291, 292, 293,
&end
#
# 21 ILE HA 21 ILE HG12 4.22
&rst
ixpk= 0, nxpk= 0, iat= 280, 288, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 21 ILE QG2 21 ILE HG12 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 284, 285, 286,
&end
#
# 21 ILE HG13 21 ILE HB 4.65
&rst
ixpk= 0, nxpk= 0, iat= 289, 282, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 21 ILE HA 21 ILE HB 5.88
&rst
ixpk= 0, nxpk= 0, iat= 280, 282, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 21 ILE QG2 21 ILE HB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 284, 285, 286,
&end
#
# 21 ILE HA 21 ILE QD1 5.63
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 291, 292, 293,
&end
#
# 21 ILE HN 21 ILE HA 5.57
&rst
ixpk= 0, nxpk= 0, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 21 ILE QG2 21 ILE HG13 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 284, 285, 286,
&end
#
# 21 ILE HG12 21 ILE HB 5.53
&rst
ixpk= 0, nxpk= 0, iat= 288, 282, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 21 ILE QD1 21 ILE HB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 291, 292, 293,
&end
#
# 21 ILE HN 21 ILE QG2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 284, 285, 286,
&end
#
# 21 ILE HA 21 ILE HG13 4.32
&rst
ixpk= 0, nxpk= 0, iat= 280, 289, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 ILE HN 21 ILE HB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 21 ILE HN 21 ILE HG12 5.79
&rst
ixpk= 0, nxpk= 0, iat= 278, 288, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 21 ILE HN 21 ILE HG13 4.33
&rst
ixpk= 0, nxpk= 0, iat= 278, 289, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 21 ILE HN 21 ILE QD1 5.96
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2= 291, 292, 293,
&end
#
# 22 GLN HG2 22 GLN HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 304, 301, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 22 GLN HE22 22 GLN HG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 310, 304, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 22 GLN HG3 22 GLN HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 305, 301, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 22 GLN HA 22 GLN HG3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 299, 305, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 22 GLN HG3 22 GLN HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HE22 22 GLN HG3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 310, 305, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 22 GLN HA 22 GLN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 299, 297, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 22 GLN HA 22 GLN HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 299, 302, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 22 GLN HA 22 GLN HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 299, 301, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 22 GLN HA 22 GLN HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 299, 304, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 22 GLN HG2 22 GLN HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 22 GLN HB3 22 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 302, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 GLN HG3 22 GLN HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 305, 297, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 22 GLN HE22 22 GLN HB3 6.44
&rst
ixpk= 0, nxpk= 0, iat= 310, 302, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 22 GLN HE22 22 GLN HN 6.85
&rst
ixpk= 0, nxpk= 0, iat= 310, 297, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, &end
#
# 22 GLN HE22 22 GLN HA 6.91
&rst
ixpk= 0, nxpk= 0, iat= 310, 299, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, &end
#
# 22 GLN HE21 22 GLN HG3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 309, 305, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 22 GLN HB2 22 GLN HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 301, 297, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 22 GLN HG2 22 GLN HN 5.66
&rst
ixpk= 0, nxpk= 0, iat= 304, 297, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 22 GLN HE21 22 GLN HG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 309, 304, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 22 GLN HE21 22 GLN HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 301, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 GLN HE21 22 GLN HA 6.71
&rst
ixpk= 0, nxpk= 0, iat= 309, 299, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 22 GLN HE21 22 GLN HN 6.68
&rst
ixpk= 0, nxpk= 0, iat= 309, 297, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, &end
#
# 22 GLN HE21 22 GLN HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 302, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 GLY HN 23 GLY HA3 4.49
&rst
ixpk= 0, nxpk= 0, iat= 314, 317, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 23 GLY HN 23 GLY HA2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 24 VAL HA 24 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 331, 332, 333,
&end
#
# 24 VAL HB 24 VAL QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 331, 332, 333,
&end
#
# 24 VAL HB 24 VAL QG1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 327, 328, 329,
&end
#
# 24 VAL HA 24 VAL HB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 323, 325, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 24 VAL HA 24 VAL QG1 3.72
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 327, 328, 329,
&end
#
# 24 VAL HN 24 VAL HB 3.87
&rst
ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 24 VAL HN 24 VAL QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 331, 332, 333,
&end
#
# 24 VAL QG2 24 VAL QG1 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 331, 332, 333,
igr2= 327, 328, 329,
&end
#
# 24 VAL HN 24 VAL QG1 3.97
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 327, 328, 329,
&end
#
# 24 VAL HN 24 VAL HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 25 ARG HA 25 ARG HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 339, 342, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 25 ARG HN 25 ARG HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 337, 339, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 25 ARG HN 25 ARG HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 ARG HN 25 ARG HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 26 TRP HB2 26 TRP HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 365, 363, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 26 TRP HB3 26 TRP HA 6.17
&rst
ixpk= 0, nxpk= 0, iat= 366, 363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 26 TRP HB2 26 TRP HE1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 371, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 TRP HN 26 TRP HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 26 TRP HB3 26 TRP HE1 5.54
&rst
ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 26 TRP HN 26 TRP HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 26 TRP HE1 26 TRP HA 6.75
&rst
ixpk= 0, nxpk= 0, iat= 371, 363, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 26 TRP HN 26 TRP HE1 6.79
&rst
ixpk= 0, nxpk= 0, iat= 361, 371, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 26 TRP HN 26 TRP HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 361, 363, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 27 HIS HB3 27 HIS HD2 6.07
&rst
ixpk= 0, nxpk= 0, iat= 390, 398, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 27 HIS HN 27 HIS HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 27 HIS HB2 27 HIS HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 389, 387, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 27 HIS HB3 27 HIS HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 390, 387, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 27 HIS HB2 27 HIS HD2 6.19
&rst
ixpk= 0, nxpk= 0, iat= 389, 398, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 27 HIS HN 27 HIS HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 385, 387, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 27 HIS HN 27 HIS HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 385, 389, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 27 HIS HN 27 HIS HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 CYS HA 28 CYS HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 28 CYS HN 28 CYS HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 CYS HA 28 CYS HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 404, 407, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 28 CYS HN 28 CYS HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 402, 404, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 28 CYS HN 28 CYS HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 402, 407, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 29 GLN HG3 29 GLN HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= 420, 414, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 29 GLN HE22 29 GLN HG3 4.77
&rst
ixpk= 0, nxpk= 0, iat= 425, 420, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 29 GLN HA 29 GLN HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 414, 417, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 29 GLN HN 29 GLN HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 29 GLN HN 29 GLN HG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 29 GLN HG2 29 GLN HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 419, 414, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 29 GLN HE21 29 GLN HG3 5.57
&rst
ixpk= 0, nxpk= 0, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 29 GLN HN 29 GLN HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 412, 414, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 29 GLN HE22 29 GLN HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 425, 419, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 29 GLN HA 29 GLN HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 414, 416, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 29 GLN HG2 29 GLN HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 419, 416, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 29 GLN HN 29 GLN HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 29 GLN HG3 29 GLN HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 420, 417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 29 GLN HG2 29 GLN HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 29 GLN HG3 29 GLN HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 420, 416, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 29 GLN HE22 29 GLN HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 425, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 GLN HE22 29 GLN HB3 6.36
&rst
ixpk= 0, nxpk= 0, iat= 425, 417, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 29 GLN HE22 29 GLN HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 425, 416, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 29 GLN HE21 29 GLN HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 417, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 GLN HE21 29 GLN HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 GLN HE21 29 GLN HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 424, 416, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 29 GLN HN 29 GLN HG3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 412, 420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 29 GLN HE21 29 GLN HG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 424, 419, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 29 GLN HE22 29 GLN HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 425, 414, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ASP HB2 30 ASP HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 433, 431, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 30 ASP HN 30 ASP HA 6.36
&rst
ixpk= 0, nxpk= 0, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 30 ASP HB3 30 ASP HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= 434, 431, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 30 ASP HN 30 ASP HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 30 ASP HN 30 ASP HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 CYS HB2 31 CYS HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= 446, 443, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 31 CYS HN 31 CYS HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 31 CYS HB3 31 CYS HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 31 CYS HN 31 CYS HB3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 CYS HN 31 CYS HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 32 PRO HG3 32 PRO HD3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 456, 453, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 32 PRO HG3 32 PRO HD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 456, 452, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 32 PRO HG2 32 PRO HD3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 455, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 PRO HG2 32 PRO HD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 455, 452, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 33 PRO HB3 33 PRO HG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 473, 469, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 33 PRO HA 33 PRO HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat= 475, 473, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 33 PRO HA 33 PRO HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 PRO HG2 33 PRO HD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 469, 466, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 33 PRO HB2 33 PRO HD2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 472, 466, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 33 PRO HA 33 PRO HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 475, 469, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 33 PRO HA 33 PRO HD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 475, 466, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 33 PRO HB2 33 PRO HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 472, 469, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 33 PRO HB3 33 PRO HD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 473, 466, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 33 PRO HB3 33 PRO HB2 2.78
&rst
ixpk= 0, nxpk= 0, iat= 473, 472, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 34 GLU HA 34 GLU HB2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 34 GLU HG3 34 GLU HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat= 487, 484, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 34 GLU HA 34 GLU HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 34 GLU HA 34 GLU HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 34 GLU HG2 34 GLU HB3 3.08
&rst
ixpk= 0, nxpk= 0, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 34 GLU HN 34 GLU HB2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 479, 483, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 34 GLU HA 34 GLU HB3 3.04
&rst
ixpk= 0, nxpk= 0, iat= 481, 484, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 34 GLU HG2 34 GLU HB2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 486, 483, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 34 GLU HN 34 GLU HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 34 GLU HG3 34 GLU HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 487, 483, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 34 GLU HN 34 GLU HG3 4.33
&rst
ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 34 GLU HN 34 GLU HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 479, 481, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 34 GLU HN 34 GLU HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 479, 486, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 35 MET HB2 35 MET HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 498, 501, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 35 MET QE 35 MET HG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 505, 506, 507,
&end
#
# 35 MET HA 35 MET HG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 35 MET HB3 35 MET HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 499, 496, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 35 MET HB2 35 MET HG3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 498, 502, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 35 MET HB2 35 MET HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 35 MET HB3 35 MET HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 499, 501, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 35 MET HA 35 MET HG3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 496, 502, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 35 MET HN 35 MET HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 35 MET HB2 35 MET QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 505, 506, 507,
&end
#
# 35 MET HB3 35 MET HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 499, 502, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 35 MET HN 35 MET HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 35 MET QE 35 MET HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 505, 506, 507,
&end
#
# 35 MET HN 35 MET HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 35 MET QE 35 MET HA 6.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 505, 506, 507,
&end
#
# 35 MET HN 35 MET HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 35 MET HN 35 MET HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 494, 501, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 36 SER HB3 36 SER HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 516, 513, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 36 SER HB2 36 SER HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 36 SER HB3 36 SER HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 516, 511, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 36 SER HB2 36 SER HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 515, 511, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 36 SER HN 36 SER HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 37 LEU QD2 37 LEU HB3 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 37 LEU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 531, 532, 533,
&end
#
# 37 LEU HB3 37 LEU HN 6.01
&rst
ixpk= 0, nxpk= 0, iat= 527, 522, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 37 LEU HA 37 LEU HG 4.83
&rst
ixpk= 0, nxpk= 0, iat= 524, 529, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 LEU QD1 37 LEU HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD2 37 LEU HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 37 LEU HG 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 531, 532, 533,
&end
#
# 37 LEU HG 37 LEU HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= 529, 526, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 37 LEU HB2 37 LEU HN 6.97
&rst
ixpk= 0, nxpk= 0, iat= 526, 522, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, &end
#
# 37 LEU HA 37 LEU HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 524, 526, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 37 LEU HA 37 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 535, 536, 537,
&end
#
# 37 LEU HA 37 LEU QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 531, 532, 533,
&end
#
# 37 LEU HG 37 LEU HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 529, 527, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 37 LEU HA 37 LEU HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 524, 527, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 LEU QD2 37 LEU HG 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 529, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 37 LEU HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 531, 532, 533,
&end
#
# 37 LEU HG 37 LEU HN 6.74
&rst
ixpk= 0, nxpk= 0, iat= 529, 522, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 37 LEU HA 37 LEU HN 6.30
&rst
ixpk= 0, nxpk= 0, iat= 524, 522, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 38 ASP HA 38 ASP HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 543, 545, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 38 ASP HA 38 ASP HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat= 543, 546, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 38 ASP HN 38 ASP HB3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 541, 546, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 38 ASP HN 38 ASP HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 541, 545, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 38 ASP HN 38 ASP HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 541, 543, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 39 PHE HA 39 PHE QD 4.84
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 561, 569,
&end
#
# 39 PHE HA 39 PHE HB3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 555, 558, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 PHE HN 39 PHE HB2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 39 PHE HB2 39 PHE QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 561, 569,
&end
#
# 39 PHE HN 39 PHE HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 39 PHE HB3 39 PHE QD 5.20
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 561, 569,
&end
#
# 39 PHE HA 39 PHE HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 39 PHE HN 39 PHE HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 553, 555, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 39 PHE HN 39 PHE QD 4.67
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 561, 569,
&end
#
# 39 PHE HN 39 PHE QE 6.49
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 563, 567,
&end
#
# 40 CYS HB3 40 CYS HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= 577, 575, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 40 CYS HN 40 CYS HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 573, 575, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 40 CYS HB2 40 CYS HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 578, 575, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 40 CYS HB2 40 CYS HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 578, 577, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 40 CYS HB2 40 CYS HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 578, 573, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 40 CYS HB3 40 CYS HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= 577, 573, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 41 ASP HN 41 ASP HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 41 ASP HA 41 ASP HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 585, 587, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 41 ASP HA 41 ASP HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 585, 588, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 41 ASP HN 41 ASP HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 41 ASP HN 41 ASP HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 42 SER HN 42 SER HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 595, 600, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 42 SER HB2 42 SER HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= 599, 597, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 42 SER HB3 42 SER HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 600, 597, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 42 SER HN 42 SER HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 42 SER HN 42 SER HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 43 CYS HB2 43 CYS HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 611, 606, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 43 CYS HB3 43 CYS HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 610, 606, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 43 CYS HN 43 CYS HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 606, 608, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 43 CYS HB3 43 CYS HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 43 CYS HB2 43 CYS HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 611, 608, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 44 SER HA 44 SER HB2 6.32
&rst
ixpk= 0, nxpk= 0, iat= 618, 620, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 44 SER HA 44 SER HB3 5.58
&rst
ixpk= 0, nxpk= 0, iat= 618, 621, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 44 SER HN 44 SER HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 SER HN 44 SER HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 616, 618, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 44 SER HN 44 SER HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 45 ASP HA 45 ASP HB3 3.16
&rst
ixpk= 0, nxpk= 0, iat= 629, 632, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 45 ASP HN 45 ASP HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 45 ASP HN 45 ASP HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 46 CYS HB3 46 CYS HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= 644, 641, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 46 CYS HB2 46 CYS HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 46 CYS HN 46 CYS HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 639, 641, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 46 CYS HN 46 CYS HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 46 CYS HN 46 CYS HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 639, 643, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 47 LEU HA 47 LEU HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 652, 654, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 47 LEU QD1 47 LEU HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 659, 660, 661,
&end
#
# 47 LEU HG 47 LEU HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= 657, 655, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 47 LEU QD1 47 LEU HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 659, 660, 661,
&end
#
# 47 LEU HN 47 LEU HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 47 LEU HN 47 LEU HG 6.02
&rst
ixpk= 0, nxpk= 0, iat= 650, 657, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 47 LEU QD1 47 LEU HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 659, 660, 661,
&end
#
# 47 LEU QD1 47 LEU HG 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 659, 660, 661,
&end
#
# 47 LEU HA 47 LEU HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 652, 655, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 47 LEU HA 47 LEU HG 3.77
&rst
ixpk= 0, nxpk= 0, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 47 LEU HN 47 LEU HA 3.03
&rst
ixpk= 0, nxpk= 0, iat= 650, 652, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 47 LEU HN 47 LEU HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 47 LEU QD1 47 LEU HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 650, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 659, 660, 661,
&end
#
# 48 HIS HD2 48 HIS HB3 6.17
&rst
ixpk= 0, nxpk= 0, iat= 682, 674, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 48 HIS HD2 48 HIS HB2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 682, 673, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 48 HIS HA 48 HIS HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 671, 674, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 48 HIS HD2 48 HIS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 682, 671, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 48 HIS HN 48 HIS HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 48 HIS HA 48 HIS HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 671, 673, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 48 HIS HN 48 HIS HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 669, 671, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 48 HIS HD2 48 HIS HN 5.78
&rst
ixpk= 0, nxpk= 0, iat= 682, 669, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 48 HIS HN 48 HIS HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 669, 674, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 49 GLU HB2 49 GLU HG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= 690, 693, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 49 GLU HN 49 GLU HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 686, 688, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 49 GLU HN 49 GLU HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 686, 690, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 49 GLU HA 49 GLU HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 49 GLU HB3 49 GLU HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 691, 694, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 49 GLU HA 49 GLU HG3 4.92
&rst
ixpk= 0, nxpk= 0, iat= 688, 694, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 49 GLU HA 49 GLU HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 688, 690, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 49 GLU HA 49 GLU HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 688, 691, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 49 GLU HB3 49 GLU HG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 691, 693, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 49 GLU HB2 49 GLU HG3 3.47
&rst
ixpk= 0, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 49 GLU HN 49 GLU HG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 686, 693, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 49 GLU HN 49 GLU HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 686, 691, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 49 GLU HN 49 GLU HG3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 686, 694, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 50 THR QG2 50 THR HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 707, 708, 709,
&end
#
# 50 THR HN 50 THR HA 4.21
&rst
ixpk= 0, nxpk= 0, iat= 701, 703, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 50 THR HN 50 THR QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 707, 708, 709,
&end
#
# 51 ASP HB2 51 ASP HA 3.21
&rst
ixpk= 0, nxpk= 0, iat= 719, 717, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 51 ASP HB3 51 ASP HA 3.63
&rst
ixpk= 0, nxpk= 0, iat= 720, 717, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 51 ASP HN 51 ASP HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 715, 719, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 51 ASP HN 51 ASP HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 715, 720, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 51 ASP HN 51 ASP HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 715, 717, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 52 ILE HG13 52 ILE HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 738, 731, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 52 ILE QD1 52 ILE HA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 740, 741, 742,
&end
#
# 52 ILE HG13 52 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 740, 741, 742,
&end
#
# 52 ILE HN 52 ILE QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 740, 741, 742,
&end
#
# 52 ILE HG12 52 ILE QD1 3.25
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 740, 741, 742,
&end
#
# 52 ILE HG13 52 ILE HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 738, 729, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 52 ILE QG2 52 ILE HG13 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 733, 734, 735,
&end
#
# 52 ILE HN 52 ILE HG12 3.65
&rst
ixpk= 0, nxpk= 0, iat= 727, 737, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 52 ILE HA 52 ILE HB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 729, 731, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 52 ILE QD1 52 ILE HB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 740, 741, 742,
&end
#
# 52 ILE QG2 52 ILE QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 733, 734, 735,
igr2= 740, 741, 742,
&end
#
# 52 ILE QG2 52 ILE HA 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 733, 734, 735,
&end
#
# 52 ILE QG2 52 ILE HB 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 733, 734, 735,
&end
#
# 52 ILE HG12 52 ILE HB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 737, 731, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 52 ILE HG12 52 ILE HA 3.29
&rst
ixpk= 0, nxpk= 0, iat= 737, 729, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 52 ILE HN 52 ILE QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 733, 734, 735,
&end
#
# 52 ILE HN 52 ILE HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 52 ILE HN 52 ILE HB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 727, 731, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 52 ILE HN 52 ILE HG13 4.16
&rst
ixpk= 0, nxpk= 0, iat= 727, 738, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 53 HIS HB3 53 HIS HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 751, 746, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 53 HIS HB2 53 HIS HD2 6.20
&rst
ixpk= 0, nxpk= 0, iat= 750, 758, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 53 HIS HB2 53 HIS HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 53 HIS HB3 53 HIS HD2 6.04
&rst
ixpk= 0, nxpk= 0, iat= 751, 758, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 53 HIS HB3 53 HIS HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 751, 748, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 53 HIS HA 53 HIS HE1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 53 HIS HN 53 HIS HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 53 HIS HB2 53 HIS HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 750, 746, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 54 LYS HE2 54 LYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 775, 767, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 LYS HA 54 LYS HD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 764, 772, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 54 LYS HG2 54 LYS HA 4.05
&rst
ixpk= 0, nxpk= 0, iat= 769, 764, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 54 LYS HB2 54 LYS HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 54 LYS HB3 54 LYS HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 767, 769, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 54 LYS HG3 54 LYS HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 770, 764, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 54 LYS HE3 54 LYS HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 776, 770, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 54 LYS HB3 54 LYS HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 767, 770, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 54 LYS HB3 54 LYS HD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 767, 772, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 54 LYS HG3 54 LYS HD2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 54 LYS HE3 54 LYS HB2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 776, 766, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 54 LYS HB2 54 LYS HD3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 766, 773, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 54 LYS HE3 54 LYS HD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 776, 772, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 54 LYS HE3 54 LYS HA 6.88
&rst
ixpk= 0, nxpk= 0, iat= 776, 764, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 54 LYS HB3 54 LYS HD3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 767, 773, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 54 LYS HG3 54 LYS HD3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 770, 773, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 54 LYS HE2 54 LYS HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 775, 764, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 54 LYS HE2 54 LYS HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 775, 766, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 54 LYS HE3 54 LYS HG2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 776, 769, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 54 LYS HE3 54 LYS HB3 5.98
&rst
ixpk= 0, nxpk= 0, iat= 776, 767, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 54 LYS HG2 54 LYS HD3 4.39
&rst
ixpk= 0, nxpk= 0, iat= 769, 773, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 54 LYS HB3 54 LYS HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= 767, 764, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 54 LYS HE2 54 LYS HG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 775, 769, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 54 LYS HE2 54 LYS HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 775, 772, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 54 LYS HB2 54 LYS HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 54 LYS HE2 54 LYS HD3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 775, 773, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 54 LYS HE2 54 LYS HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 775, 770, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 54 LYS HG2 54 LYS HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 769, 772, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 54 LYS HB2 54 LYS HG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 766, 769, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 54 LYS HE3 54 LYS HD3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 776, 773, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 54 LYS HA 54 LYS HD3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 764, 773, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 54 LYS HB2 54 LYS HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 766, 772, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 55 GLU HB3 55 GLU HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 789, 786, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 GLU HN 55 GLU HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 784, 789, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 55 GLU HB2 55 GLU HA 3.25
&rst
ixpk= 0, nxpk= 0, iat= 788, 786, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 55 GLU HN 55 GLU HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= 784, 786, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 55 GLU HN 55 GLU HB2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 56 ASP HB3 56 ASP HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 804, 801, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 56 ASP HN 56 ASP HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 799, 804, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 56 ASP HB2 56 ASP HA 3.31
&rst
ixpk= 0, nxpk= 0, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 56 ASP HN 56 ASP HA 3.64
&rst
ixpk= 0, nxpk= 0, iat= 799, 801, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 56 ASP HN 56 ASP HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 799, 803, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 57 HIS HA 57 HIS HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 813, 816, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 57 HIS HD2 57 HIS HB2 6.66
&rst
ixpk= 0, nxpk= 0, iat= 823, 815, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 57 HIS HN 57 HIS HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 811, 816, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 57 HIS HA 57 HIS HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 813, 823, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 57 HIS HD2 57 HIS HB3 6.10
&rst
ixpk= 0, nxpk= 0, iat= 823, 816, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 57 HIS HA 57 HIS HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 813, 815, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 57 HIS HB2 57 HIS HE1 6.67
&rst
ixpk= 0, nxpk= 0, iat= 815, 820, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 57 HIS HB3 57 HIS HE1 5.97
&rst
ixpk= 0, nxpk= 0, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 57 HIS HD2 57 HIS HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 823, 811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 57 HIS HN 57 HIS HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 811, 815, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 57 HIS HA 57 HIS HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 813, 811, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 58 GLN HN 58 GLN HG3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 827, 835, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 58 GLN HN 58 GLN HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 827, 829, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 58 GLN HA 58 GLN HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 829, 834, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 58 GLN HG2 58 GLN HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 834, 831, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 58 GLN HG3 58 GLN HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 835, 831, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 58 GLN HA 58 GLN HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 58 GLN HA 58 GLN HG3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 829, 835, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 58 GLN HG2 58 GLN HE22 5.91
&rst
ixpk= 0, nxpk= 0, iat= 834, 840, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 58 GLN HG3 58 GLN HE21 5.91
&rst
ixpk= 0, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 58 GLN HG2 58 GLN HE21 7.00
&rst
ixpk= 0, nxpk= 0, iat= 834, 839, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 58 GLN HN 58 GLN HG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 827, 834, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 58 GLN HN 58 GLN HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 58 GLN HB2 58 GLN HE22 5.19
&rst
ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 58 GLN HA 58 GLN HE22 5.64
&rst
ixpk= 0, nxpk= 0, iat= 829, 840, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 58 GLN HB2 58 GLN HE21 5.88
&rst
ixpk= 0, nxpk= 0, iat= 831, 839, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 59 LEU HA 59 LEU HG 5.96
&rst
ixpk= 0, nxpk= 0, iat= 846, 851, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 59 LEU QD1 59 LEU HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 853, 854, 855,
&end
#
# 59 LEU HB3 59 LEU HG 4.93
&rst
ixpk= 0, nxpk= 0, iat= 849, 851, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 59 LEU HB2 59 LEU HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 59 LEU HB3 59 LEU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 849, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 LEU HN 59 LEU HG 3.91
&rst
ixpk= 0, nxpk= 0, iat= 844, 851, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 59 LEU QD1 59 LEU HG 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 853, 854, 855,
&end
#
# 59 LEU HN 59 LEU HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= 844, 846, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 59 LEU QD1 59 LEU HA 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 853, 854, 855,
&end
#
# 59 LEU HB2 59 LEU HG 4.72
&rst
ixpk= 0, nxpk= 0, iat= 848, 851, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 59 LEU QD1 59 LEU HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 59 LEU HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 853, 854, 855,
&end
#
# 59 LEU HB3 59 LEU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 849, 844, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 59 LEU HB2 59 LEU HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 848, 844, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 60 GLU HG2 60 GLU HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 870, 863, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 60 GLU HG3 60 GLU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 871, 868, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 60 GLU HB3 60 GLU HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= 868, 865, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 60 GLU HG2 60 GLU HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 870, 865, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 60 GLU HB2 60 GLU HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= 867, 865, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 60 GLU HG2 60 GLU HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 60 GLU HG2 60 GLU HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 870, 867, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 60 GLU HG3 60 GLU HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 871, 865, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 60 GLU HG3 60 GLU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 871, 867, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 GLU HG3 60 GLU HN 6.11
&rst
ixpk= 0, nxpk= 0, iat= 871, 863, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 60 GLU HN 60 GLU HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 60 GLU HB3 60 GLU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 868, 863, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 60 GLU HB2 60 GLU HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 867, 863, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 61 PRO HD3 61 PRO HG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 880, 882, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 61 PRO HA 61 PRO HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 888, 885, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 61 PRO HG3 61 PRO HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 883, 886, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 61 PRO HD3 61 PRO HA 6.67
&rst
ixpk= 0, nxpk= 0, iat= 880, 888, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 61 PRO HD2 61 PRO HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 879, 885, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 61 PRO HG2 61 PRO HB2 5.51
&rst
ixpk= 0, nxpk= 0, iat= 882, 885, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 61 PRO HD3 61 PRO HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 880, 885, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 61 PRO HA 61 PRO HG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 888, 882, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 61 PRO HD2 61 PRO HG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 61 PRO HD2 61 PRO HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 879, 883, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 61 PRO HA 61 PRO HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 888, 886, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 61 PRO HA 61 PRO HG3 5.82
&rst
ixpk= 0, nxpk= 0, iat= 888, 883, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 61 PRO HD2 61 PRO HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 879, 888, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 61 PRO HD3 61 PRO HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 880, 883, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 61 PRO HD2 61 PRO HB3 5.68
&rst
ixpk= 0, nxpk= 0, iat= 879, 886, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 61 PRO HD3 61 PRO HB3 6.04
&rst
ixpk= 0, nxpk= 0, iat= 880, 886, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 61 PRO HG2 61 PRO HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 PRO HG3 61 PRO HB2 5.51
&rst
ixpk= 0, nxpk= 0, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 62 ILE HG12 62 ILE QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 898, 899, 900,
&end
#
# 62 ILE HA 62 ILE HG13 5.07
&rst
ixpk= 0, nxpk= 0, iat= 894, 903, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 62 ILE HG12 62 ILE HB 4.72
&rst
ixpk= 0, nxpk= 0, iat= 902, 896, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 62 ILE HG13 62 ILE HB 4.38
&rst
ixpk= 0, nxpk= 0, iat= 903, 896, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 62 ILE QG2 62 ILE QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 898, 899, 900,
igr2= 905, 906, 907,
&end
#
# 62 ILE HG13 62 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 905, 906, 907,
&end
#
# 62 ILE QG2 62 ILE HB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 898, 899, 900,
&end
#
# 62 ILE HA 62 ILE HG12 4.85
&rst
ixpk= 0, nxpk= 0, iat= 894, 902, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 62 ILE HA 62 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 898, 899, 900,
&end
#
# 62 ILE HA 62 ILE HB 5.57
&rst
ixpk= 0, nxpk= 0, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 62 ILE HG12 62 ILE QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 905, 906, 907,
&end
#
# 62 ILE HN 62 ILE QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 898, 899, 900,
&end
#
# 62 ILE HB 62 ILE QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 905, 906, 907,
&end
#
# 62 ILE HN 62 ILE HG12 4.61
&rst
ixpk= 0, nxpk= 0, iat= 892, 902, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 62 ILE HG13 62 ILE QG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 898, 899, 900,
&end
#
# 62 ILE HA 62 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 905, 906, 907,
&end
#
# 62 ILE HN 62 ILE HG13 4.42
&rst
ixpk= 0, nxpk= 0, iat= 892, 903, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 62 ILE HN 62 ILE HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 892, 894, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 62 ILE HN 62 ILE QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 905, 906, 907,
&end
#
# 62 ILE HN 62 ILE HB 3.77
&rst
ixpk= 0, nxpk= 0, iat= 892, 896, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 63 TYR HA 63 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 921, 926,
&end
#
# 63 TYR QD 63 TYR HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 919, 928,
&end
#
# 63 TYR QD 63 TYR HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 919, 928,
&end
#
# 63 TYR HN 63 TYR HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 911, 915, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 63 TYR HA 63 TYR HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 913, 915, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 63 TYR HA 63 TYR HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 913, 916, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 63 TYR QD 63 TYR HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 919, 928,
&end
#
# 63 TYR HN 63 TYR QE 5.60
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 921, 926,
&end
#
# 63 TYR HN 63 TYR HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 911, 916, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 63 TYR HN 63 TYR HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= 911, 913, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 63 TYR QD 63 TYR HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 919, 928,
&end
#
# 64 ARG HG3 64 ARG HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 940, 934, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 64 ARG HG2 64 ARG HB2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 939, 936, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 64 ARG HB3 64 ARG HD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 937, 942, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 64 ARG HN 64 ARG HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= 932, 934, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 64 ARG HD2 64 ARG HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= 942, 934, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 64 ARG HN 64 ARG HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 932, 939, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 64 ARG HG2 64 ARG HD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 939, 942, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 64 ARG HN 64 ARG HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 64 ARG HG2 64 ARG HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= 939, 934, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 64 ARG HN 64 ARG HG3 4.61
&rst
ixpk= 0, nxpk= 0, iat= 932, 940, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 64 ARG HB3 64 ARG HA 3.39
&rst
ixpk= 0, nxpk= 0, iat= 937, 934, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 64 ARG HB2 64 ARG HA 3.36
&rst
ixpk= 0, nxpk= 0, iat= 936, 934, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 64 ARG HG3 64 ARG HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 940, 942, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 64 ARG HN 64 ARG HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 932, 936, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 64 ARG HG3 64 ARG HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 940, 936, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 64 ARG HG2 64 ARG HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 64 ARG HB2 64 ARG HD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 936, 942, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 64 ARG HG3 64 ARG HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 940, 937, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 64 ARG HN 64 ARG HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 932, 942, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 2 PRO HA 3 LEU HB3 6.16
&rst
ixpk= 0, nxpk= 0, iat= 21, 30, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 2 PRO HA 3 LEU HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 21, 27, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 2 PRO HB3 3 LEU HA 6.99
&rst
ixpk= 0, nxpk= 0, iat= 19, 27, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, &end
#
# 2 PRO HB2 3 LEU HB2 6.49
&rst
ixpk= 0, nxpk= 0, iat= 18, 29, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 2 PRO HB3 3 LEU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 19, 29, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 3 LEU HN 2 PRO HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 25, 21, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 3 LEU HN 2 PRO HB3 6.71
&rst
ixpk= 0, nxpk= 0, iat= 25, 19, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 3 LEU HN 2 PRO HB2 6.32
&rst
ixpk= 0, nxpk= 0, iat= 25, 18, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 3 LEU HN 2 PRO HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 15, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 3 LEU HA 63 TYR HB3 6.27
&rst
ixpk= 0, nxpk= 0, iat= 27, 916, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 4 GLY HN 3 LEU HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 44, 27, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 4 GLY HA2 3 LEU HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 46, 27, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 4 GLY HA2 3 LEU QD2 5.88
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 38, 39, 40,
&end
#
# 4 GLY HA2 3 LEU QD1 6.79
&rst
ixpk= 0, nxpk= 0, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr2= 34, 35, 36,
&end
#
# 4 GLY HA2 3 LEU HB2 6.37
&rst
ixpk= 0, nxpk= 0, iat= 46, 29, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 4 GLY HA2 3 LEU HB3 5.97
&rst
ixpk= 0, nxpk= 0, iat= 46, 30, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 4 GLY HN 3 LEU HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 44, 30, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 GLY HN 3 LEU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 44, 29, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 GLY HN 3 LEU HN 6.33
&rst
ixpk= 0, nxpk= 0, iat= 44, 25, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 4 GLY HA2 5 SER HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 46, 53, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 4 GLY HA2 5 SER HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 46, 51, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 4 GLY HN 5 SER HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= 44, 51, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 4 GLY HA2 22 GLN HB3 5.96
&rst
ixpk= 0, nxpk= 0, iat= 46, 302, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 4 GLY HN 23 GLY HA3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 44, 317, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 4 GLY HA2 23 GLY HA3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 46, 317, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 4 GLY HA2 23 GLY HA2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 46, 316, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 4 GLY HN 41 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 44, 588, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 SER HB2 2 PRO HD2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 55, 12, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 5 SER HB2 2 PRO HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 55, 18, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 SER HB2 2 PRO HB3 5.76
&rst
ixpk= 0, nxpk= 0, iat= 55, 19, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 5 SER HB2 3 LEU HA 6.92
&rst
ixpk= 0, nxpk= 0, iat= 55, 27, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, &end
#
# 5 SER HA 4 GLY HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 53, 44, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 SER HA 6 VAL HB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 53, 66, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 5 SER HB2 6 VAL HB 6.59
&rst
ixpk= 0, nxpk= 0, iat= 55, 66, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 5 SER HB2 6 VAL HB 5.73
&rst
ixpk= 0, nxpk= 0, iat= 55, 66, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 5 SER HB2 7 GLN HE21 6.77
&rst
ixpk= 0, nxpk= 0, iat= 55, 90, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, &end
#
# 5 SER HB2 7 GLN HE22 6.39
&rst
ixpk= 0, nxpk= 0, iat= 55, 91, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 6 VAL QG2 2 PRO HA 6.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG2 3 LEU HB2 6.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG2 3 LEU HB3 6.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 3 LEU HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 27, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 68, 69, 70,
&end
#
# 6 VAL HN 3 LEU HA 6.40
&rst
ixpk= 0, nxpk= 0, iat= 62, 27, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 6 VAL HA 5 SER HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 64, 53, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 6 VAL QG2 5 SER HA 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 5 SER HA 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 53, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 5 SER HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 5 SER HB2 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG1 5 SER HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 51, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 68, 69, 70,
&end
#
# 6 VAL HN 5 SER HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 62, 51, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 6 VAL HN 5 SER HA 3.33
&rst
ixpk= 0, nxpk= 0, iat= 62, 53, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 6 VAL HN 5 SER HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 62, 55, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 6 VAL HA 7 GLN HA 6.90
&rst
ixpk= 0, nxpk= 0, iat= 64, 80, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 6 VAL QG2 7 GLN HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 72, 73, 74,
&end
#
# 6 VAL HA 7 GLN HN 2.94
&rst
ixpk= 0, nxpk= 0, iat= 64, 78, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 6 VAL QG1 7 GLN HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 68, 69, 70,
&end
#
# 6 VAL HA 7 GLN HG2 5.61
&rst
ixpk= 0, nxpk= 0, iat= 64, 85, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 6 VAL HA 7 GLN HG3 6.31
&rst
ixpk= 0, nxpk= 0, iat= 64, 86, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 6 VAL QG2 7 GLN HG2 6.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 7 GLN HG2 6.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 7 GLN HG3 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 72, 73, 74,
&end
#
# 6 VAL HA 7 GLN HB2 6.23
&rst
ixpk= 0, nxpk= 0, iat= 64, 82, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 6 VAL QG1 7 GLN HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG1 7 GLN HB2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 68, 69, 70,
&end
#
# 6 VAL HN 7 GLN HG3 6.25
&rst
ixpk= 0, nxpk= 0, iat= 62, 86, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 6 VAL HN 7 GLN HG2 6.38
&rst
ixpk= 0, nxpk= 0, iat= 62, 85, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, &end
#
# 6 VAL QG2 7 GLN HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 72, 73, 74,
&end
#
# 6 VAL HN 7 GLN HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 62, 78, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 6 VAL QG2 8 HIS HA 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 8 HIS HA 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 8 HIS HD2 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG2 22 GLN HA 6.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 72, 73, 74,
&end
#
# 6 VAL HN 22 GLN HA 6.32
&rst
ixpk= 0, nxpk= 0, iat= 62, 299, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 6 VAL HN 23 GLY HA3 6.24
&rst
ixpk= 0, nxpk= 0, iat= 62, 317, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 6 VAL HN 23 GLY HA2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 62, 316, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 VAL QG1 23 GLY HA3 6.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 23 GLY HA2 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 23 GLY HA2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 23 GLY HA3 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG2 24 VAL HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 24 VAL HA 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG1 24 VAL QG1 6.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57,
igr1= 68, 69, 70,
igr2= 327, 328, 329,
&end
#
# 6 VAL QG2 24 VAL QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 72, 73, 74,
igr2= 331, 332, 333,
&end
#
# 6 VAL HB 24 VAL QG2 5.98
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 331, 332, 333,
&end
#
# 6 VAL HA 24 VAL HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 64, 323, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 VAL HB 24 VAL QG1 6.03
&rst
ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2= 327, 328, 329,
&end
#
# 6 VAL QG1 24 VAL HN 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG1 25 ARG HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 62 ILE QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 72, 73, 74,
igr2= 898, 899, 900,
&end
#
# 6 VAL QG2 63 TYR HB2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG2 63 TYR HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG2 63 TYR HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 63 TYR HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 63 TYR HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 63 TYR HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG1 63 TYR HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 63 TYR HA 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 63 TYR HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 64 ARG HB3 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 64 ARG HB3 6.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 64 ARG HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 64 ARG HB2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 64 ARG HD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 64 ARG HD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 64 ARG HA 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 64 ARG HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG2 64 ARG HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG2 64 ARG HG3 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 72, 73, 74,
&end
#
# 6 VAL QG1 64 ARG HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 68, 69, 70,
&end
#
# 6 VAL QG1 64 ARG HG3 6.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 8.27, r4= 8.77,
igr1= 68, 69, 70,
&end
#
# 6 VAL HB 64 ARG HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 66, 934, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 6 VAL HA 64 ARG HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 64, 934, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 6 VAL QG2 64 ARG HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 72, 73, 74,
&end
#
# 7 GLN HN 5 SER HN 6.21
&rst
ixpk= 0, nxpk= 0, iat= 78, 51, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 7 GLN HN 6 VAL HB 6.42
&rst
ixpk= 0, nxpk= 0, iat= 78, 66, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end
#
# 7 GLN HB2 8 HIS HA 6.02
&rst
ixpk= 0, nxpk= 0, iat= 82, 97, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 7 GLN HA 8 HIS HB2 6.53
&rst
ixpk= 0, nxpk= 0, iat= 80, 99, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end
#
# 7 GLN HA 8 HIS HB3 6.20
&rst
ixpk= 0, nxpk= 0, iat= 80, 100, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 7 GLN HN 8 HIS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 78, 97, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 GLN HA 22 GLN HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 80, 297, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 GLN HB2 22 GLN HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 82, 297, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 7 GLN HN 25 ARG HN 6.54
&rst
ixpk= 0, nxpk= 0, iat= 78, 337, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end
#
# 8 HIS HN 6 VAL QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 68, 69, 70,
&end
#
# 8 HIS HN 6 VAL QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 72, 73, 74,
&end
#
# 8 HIS HD2 7 GLN HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= 108, 80, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 8 HIS HN 7 GLN HG3 6.85
&rst
ixpk= 0, nxpk= 0, iat= 95, 86, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, &end
#
# 8 HIS HN 7 GLN HB3 5.36
&rst
ixpk= 0, nxpk= 0, iat= 95, 83, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 8 HIS HN 7 GLN HG2 5.76
&rst
ixpk= 0, nxpk= 0, iat= 95, 85, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 8 HIS HN 7 GLN HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= 95, 80, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 8 HIS HN 7 GLN HN 6.12
&rst
ixpk= 0, nxpk= 0, iat= 95, 78, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 8 HIS HN 9 VAL HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 95, 112, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 8 HIS HN 11 PHE QD 6.14
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 143, 151,
&end
#
# 8 HIS HN 21 ILE HB 6.34
&rst
ixpk= 0, nxpk= 0, iat= 95, 282, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 8 HIS HN 22 GLN HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 95, 299, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 8 HIS HD2 22 GLN HN 6.48
&rst
ixpk= 0, nxpk= 0, iat= 108, 297, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 8 HIS HN 22 GLN HG2 6.42
&rst
ixpk= 0, nxpk= 0, iat= 95, 304, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end
#
# 8 HIS HN 23 GLY HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 95, 314, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 8 HIS HD2 25 ARG HN 6.44
&rst
ixpk= 0, nxpk= 0, iat= 108, 337, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 9 VAL QG2 7 GLN HB2 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG2 7 GLN HA 6.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 122, 123, 124,
&end
#
# 9 VAL HN 7 GLN HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 112, 80, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 9 VAL QG2 7 GLN HG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 7 GLN HG3 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 118, 119, 120,
&end
#
# 9 VAL QG2 7 GLN HG3 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG2 7 GLN HB3 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 7 GLN HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 118, 119, 120,
&end
#
# 9 VAL QG2 7 GLN HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 122, 123, 124,
&end
#
# 9 VAL HN 7 GLN HG2 6.16
&rst
ixpk= 0, nxpk= 0, iat= 112, 85, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 9 VAL HN 7 GLN HG3 6.80
&rst
ixpk= 0, nxpk= 0, iat= 112, 86, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 9 VAL HN 7 GLN HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 112, 82, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 9 VAL QG1 7 GLN HE21 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 118, 119, 120,
&end
#
# 9 VAL QG2 7 GLN HE21 6.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG2 7 GLN HE22 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 7 GLN HE22 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 118, 119, 120,
&end
#
# 9 VAL HB 8 HIS HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 116, 97, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 9 VAL HB 8 HIS HA 6.23
&rst
ixpk= 0, nxpk= 0, iat= 116, 97, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 9 VAL HN 8 HIS HA 3.17
&rst
ixpk= 0, nxpk= 0, iat= 112, 97, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 9 VAL QG2 8 HIS HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 122, 123, 124,
&end
#
# 9 VAL HN 8 HIS HB2 5.98
&rst
ixpk= 0, nxpk= 0, iat= 112, 99, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 9 VAL QG2 8 HIS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 122, 123, 124,
&end
#
# 9 VAL HN 8 HIS HB3 5.75
&rst
ixpk= 0, nxpk= 0, iat= 112, 100, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 9 VAL QG2 10 GLY HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 10 GLY HA2 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 118, 119, 120,
&end
#
# 9 VAL QG2 10 GLY HA2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 10 GLY HA3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 118, 119, 120,
&end
#
# 9 VAL QG1 10 GLY HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 118, 119, 120,
&end
#
# 9 VAL HN 11 PHE QE 6.35
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 145, 149,
&end
#
# 9 VAL HN 11 PHE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 143, 151,
&end
#
# 9 VAL QG1 20 PRO HG2 6.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 118, 119, 120,
&end
#
# 9 VAL QG2 20 PRO HG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 20 PRO HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 118, 119, 120,
&end
#
# 9 VAL QG2 20 PRO HG3 6.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 122, 123, 124,
&end
#
# 9 VAL QG1 20 PRO HD2 6.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 118, 119, 120,
&end
#
# 10 GLY HA2 9 VAL HA 5.53
&rst
ixpk= 0, nxpk= 0, iat= 130, 114, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 10 GLY HN 9 VAL HB 6.24
&rst
ixpk= 0, nxpk= 0, iat= 128, 116, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 10 GLY HA2 9 VAL HB 6.46
&rst
ixpk= 0, nxpk= 0, iat= 130, 116, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 10 GLY HA3 9 VAL HB 5.66
&rst
ixpk= 0, nxpk= 0, iat= 131, 116, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 10 GLY HN 9 VAL HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 128, 114, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 10 GLY HN 9 VAL HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 128, 112, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 10 GLY HA2 11 PHE HA 6.46
&rst
ixpk= 0, nxpk= 0, iat= 130, 137, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 10 GLY HN 20 PRO HG2 6.74
&rst
ixpk= 0, nxpk= 0, iat= 128, 268, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 10 GLY HN 20 PRO HG3 6.96
&rst
ixpk= 0, nxpk= 0, iat= 128, 269, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 11 PHE QD 8 HIS HB3 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 143, 151,
&end
#
# 11 PHE QD 8 HIS HA 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 143, 151,
&end
#
# 11 PHE HB2 8 HIS HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 139, 100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HB3 8 HIS HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 140, 99, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 11 PHE HB3 8 HIS HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 140, 100, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 11 PHE HB3 8 HIS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 140, 97, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 11 PHE HN 8 HIS HB3 5.95
&rst
ixpk= 0, nxpk= 0, iat= 135, 100, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 11 PHE HN 8 HIS HB2 6.74
&rst
ixpk= 0, nxpk= 0, iat= 135, 99, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 11 PHE HN 9 VAL QG1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 118, 119, 120,
&end
#
# 11 PHE HN 9 VAL QG2 6.02
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr2= 122, 123, 124,
&end
#
# 11 PHE HN 9 VAL HN 6.59
&rst
ixpk= 0, nxpk= 0, iat= 135, 112, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 11 PHE HN 9 VAL HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= 135, 114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 11 PHE HN 10 GLY HA2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 135, 130, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 11 PHE HN 10 GLY HA3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 135, 131, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 11 PHE HN 10 GLY HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 135, 128, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 11 PHE HA 12 LYS HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 137, 159, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 11 PHE HA 12 LYS HA 5.76
&rst
ixpk= 0, nxpk= 0, iat= 137, 157, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 11 PHE HN 12 LYS HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 135, 155, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 11 PHE HN 20 PRO HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 135, 274, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 11 PHE HN 20 PRO HB2 5.92
&rst
ixpk= 0, nxpk= 0, iat= 135, 271, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 11 PHE HN 20 PRO HG3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 135, 269, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 11 PHE HN 20 PRO HB3 5.54
&rst
ixpk= 0, nxpk= 0, iat= 135, 272, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 11 PHE HA 21 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 291, 292, 293,
&end
#
# 11 PHE HA 21 ILE HG13 6.96
&rst
ixpk= 0, nxpk= 0, iat= 137, 289, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 11 PHE HN 21 ILE HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 278, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 11 PHE HN 21 ILE QD1 6.20
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr2= 291, 292, 293,
&end
#
# 11 PHE HB3 38 ASP HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 140, 545, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 11 PHE HB3 38 ASP HB3 5.65
&rst
ixpk= 0, nxpk= 0, iat= 140, 546, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 12 LYS HA 11 PHE HB3 6.41
&rst
ixpk= 0, nxpk= 0, iat= 157, 140, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 12 LYS HN 11 PHE HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 155, 140, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 12 LYS HN 11 PHE HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= 155, 137, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 12 LYS HN 11 PHE HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 155, 139, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 12 LYS HN 11 PHE QD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 143, 151,
&end
#
# 12 LYS HA 13 CYS HB2 5.79
&rst
ixpk= 0, nxpk= 0, iat= 157, 182, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 12 LYS HA 13 CYS HB3 5.54
&rst
ixpk= 0, nxpk= 0, iat= 157, 181, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 12 LYS HN 13 CYS HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 155, 177, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 12 LYS HE2 14 ASP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LYS HG3 14 ASP HA 6.51
&rst
ixpk= 0, nxpk= 0, iat= 163, 189, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 12 LYS HG2 17 GLY HA2 5.54
&rst
ixpk= 0, nxpk= 0, iat= 162, 225, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 12 LYS HG2 17 GLY HA3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 162, 226, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 12 LYS HG3 17 GLY HA2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 163, 225, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 12 LYS HG3 17 GLY HA3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 163, 226, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 12 LYS HD2 17 GLY HA2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 165, 225, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 12 LYS HD2 17 GLY HA3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 165, 226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 12 LYS HE2 17 GLY HA2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 168, 225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 12 LYS HE2 17 GLY HA3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 168, 226, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 12 LYS HA 17 GLY HA2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 157, 225, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LYS HG3 17 GLY HN 6.45
&rst
ixpk= 0, nxpk= 0, iat= 163, 223, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 12 LYS HE2 17 GLY HN 5.95
&rst
ixpk= 0, nxpk= 0, iat= 168, 223, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 12 LYS HG2 17 GLY HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 162, 223, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LYS HA 18 ILE QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 236, 237, 238,
&end
#
# 12 LYS HE2 18 ILE HN 6.59
&rst
ixpk= 0, nxpk= 0, iat= 168, 230, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 12 LYS HA 18 ILE HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 157, 230, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LYS HG2 19 GLU HB2 6.56
&rst
ixpk= 0, nxpk= 0, iat= 162, 253, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 12 LYS HG2 19 GLU HB3 5.66
&rst
ixpk= 0, nxpk= 0, iat= 162, 254, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 12 LYS HG3 19 GLU HB2 6.61
&rst
ixpk= 0, nxpk= 0, iat= 163, 253, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, &end
#
# 12 LYS HG3 19 GLU HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 163, 254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 12 LYS HD2 19 GLU HB2 6.35
&rst
ixpk= 0, nxpk= 0, iat= 165, 253, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 12 LYS HD2 19 GLU HB3 6.67
&rst
ixpk= 0, nxpk= 0, iat= 165, 254, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 12 LYS HE2 19 GLU HB2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 168, 253, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 12 LYS HE2 19 GLU HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 168, 254, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 12 LYS HB3 19 GLU HA 6.71
&rst
ixpk= 0, nxpk= 0, iat= 160, 251, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 12 LYS HB3 19 GLU HB2 6.16
&rst
ixpk= 0, nxpk= 0, iat= 160, 253, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 12 LYS HB3 19 GLU HB3 6.28
&rst
ixpk= 0, nxpk= 0, iat= 160, 254, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 12 LYS HB2 19 GLU HB2 5.99
&rst
ixpk= 0, nxpk= 0, iat= 159, 253, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 12 LYS HB2 19 GLU HB3 6.34
&rst
ixpk= 0, nxpk= 0, iat= 159, 254, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 12 LYS HA 19 GLU HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= 157, 254, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 12 LYS HA 19 GLU HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= 157, 251, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 12 LYS HA 19 GLU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 157, 253, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LYS HA 19 GLU HB3 6.45
&rst
ixpk= 0, nxpk= 0, iat= 157, 254, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 12 LYS HG3 19 GLU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 163, 249, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LYS HG2 19 GLU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 162, 249, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 12 LYS HA 19 GLU HN 6.81
&rst
ixpk= 0, nxpk= 0, iat= 157, 249, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 12 LYS HB3 20 PRO HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 160, 274, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 LYS HA 20 PRO HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 157, 271, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 12 LYS HA 21 ILE QD1 5.44
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 291, 292, 293,
&end
#
# 12 LYS HN 21 ILE QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 291, 292, 293,
&end
#
# 12 LYS HA 21 ILE HG12 5.13
&rst
ixpk= 0, nxpk= 0, iat= 157, 288, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 12 LYS HA 21 ILE HG13 6.59
&rst
ixpk= 0, nxpk= 0, iat= 157, 289, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 12 LYS HN 21 ILE HG13 5.90
&rst
ixpk= 0, nxpk= 0, iat= 155, 289, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 12 LYS HN 21 ILE HG12 6.95
&rst
ixpk= 0, nxpk= 0, iat= 155, 288, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 12 LYS HN 38 ASP HB2 6.15
&rst
ixpk= 0, nxpk= 0, iat= 155, 545, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 13 CYS HN 12 LYS HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= 177, 157, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 13 CYS HN 12 LYS HD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 177, 165, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 13 CYS HN 12 LYS HG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 177, 162, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 13 CYS HN 12 LYS HG3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 177, 163, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 13 CYS HN 12 LYS HE2 6.54
&rst
ixpk= 0, nxpk= 0, iat= 177, 168, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end
#
# 13 CYS HN 12 LYS HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 177, 160, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 13 CYS HN 12 LYS HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 177, 159, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 13 CYS HN 14 ASP HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 177, 187, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 13 CYS HB2 15 ASN HB3 6.95
&rst
ixpk= 0, nxpk= 0, iat= 182, 204, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 13 CYS HB3 15 ASN HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 181, 204, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 CYS HA 15 ASN HN 5.67
&rst
ixpk= 0, nxpk= 0, iat= 179, 199, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 13 CYS HB3 16 CYS HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 181, 213, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 13 CYS HA 16 CYS HN 6.37
&rst
ixpk= 0, nxpk= 0, iat= 179, 213, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 13 CYS HB3 17 GLY HA2 6.08
&rst
ixpk= 0, nxpk= 0, iat= 181, 225, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 13 CYS HB3 17 GLY HA3 6.08
&rst
ixpk= 0, nxpk= 0, iat= 181, 226, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 13 CYS HN 17 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 177, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 CYS HA 17 GLY HN 6.45
&rst
ixpk= 0, nxpk= 0, iat= 179, 223, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 13 CYS HN 18 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 236, 237, 238,
&end
#
# 13 CYS HA 18 ILE QG2 6.31
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 236, 237, 238,
&end
#
# 13 CYS HB2 18 ILE HB 5.97
&rst
ixpk= 0, nxpk= 0, iat= 182, 234, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 13 CYS HB3 18 ILE HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 234, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 13 CYS HN 18 ILE HB 6.61
&rst
ixpk= 0, nxpk= 0, iat= 177, 234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, &end
#
# 13 CYS HA 18 ILE HN 6.59
&rst
ixpk= 0, nxpk= 0, iat= 179, 230, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 13 CYS HN 19 GLU HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 177, 251, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 13 CYS HN 19 GLU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 177, 253, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 13 CYS HA 21 ILE QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 291, 292, 293,
&end
#
# 13 CYS HA 21 ILE QG2 6.54
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 284, 285, 286,
&end
#
# 13 CYS HA 21 ILE HG12 6.53
&rst
ixpk= 0, nxpk= 0, iat= 179, 288, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end
#
# 13 CYS HN 21 ILE QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 284, 285, 286,
&end
#
# 13 CYS HN 21 ILE HA 6.11
&rst
ixpk= 0, nxpk= 0, iat= 177, 280, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 13 CYS HN 21 ILE HG12 5.19
&rst
ixpk= 0, nxpk= 0, iat= 177, 288, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 13 CYS HN 21 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 291, 292, 293,
&end
#
# 13 CYS HN 21 ILE HG13 4.58
&rst
ixpk= 0, nxpk= 0, iat= 177, 289, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 13 CYS HA 39 PHE HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 179, 555, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 13 CYS HB2 39 PHE HA 6.34
&rst
ixpk= 0, nxpk= 0, iat= 182, 555, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 13 CYS HA 40 CYS HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 179, 573, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 13 CYS HA 40 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 179, 578, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 CYS HB2 40 CYS HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= 182, 575, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 13 CYS HN 40 CYS HN 6.32
&rst
ixpk= 0, nxpk= 0, iat= 177, 573, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 13 CYS HN 40 CYS HB3 6.65
&rst
ixpk= 0, nxpk= 0, iat= 177, 577, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, &end
#
# 13 CYS HB2 43 CYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 182, 610, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 CYS HB2 43 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 182, 611, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 CYS HB3 43 CYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 181, 610, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 CYS HB3 43 CYS HB2 6.79
&rst
ixpk= 0, nxpk= 0, iat= 181, 611, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 14 ASP HB3 13 CYS HA 6.02
&rst
ixpk= 0, nxpk= 0, iat= 192, 179, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 14 ASP HB2 13 CYS HA 6.27
&rst
ixpk= 0, nxpk= 0, iat= 191, 179, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 14 ASP HN 13 CYS HA 3.59
&rst
ixpk= 0, nxpk= 0, iat= 187, 179, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 14 ASP HN 13 CYS HB3 5.86
&rst
ixpk= 0, nxpk= 0, iat= 187, 181, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 14 ASP HN 13 CYS HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 187, 182, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 14 ASP HA 15 ASN HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 189, 201, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 ASP HB3 15 ASN HA 6.08
&rst
ixpk= 0, nxpk= 0, iat= 192, 201, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 14 ASP HB2 15 ASN HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 191, 201, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 ASP HB3 15 ASN HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 14 ASP HB2 15 ASN HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 191, 199, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 14 ASP HN 15 ASN HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 187, 199, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 14 ASP HN 15 ASN HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 204, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 ASP HN 15 ASN HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 203, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 ASP HA 15 ASN HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 189, 199, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 14 ASP HN 16 CYS HN 6.95
&rst
ixpk= 0, nxpk= 0, iat= 187, 213, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 14 ASP HN 17 GLY HN 6.21
&rst
ixpk= 0, nxpk= 0, iat= 187, 223, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 14 ASP HN 18 ILE QG2 6.12
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 236, 237, 238,
&end
#
# 14 ASP HN 21 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 291, 292, 293,
&end
#
# 14 ASP HN 21 ILE HG12 6.56
&rst
ixpk= 0, nxpk= 0, iat= 187, 288, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 14 ASP HB3 37 LEU HA 6.74
&rst
ixpk= 0, nxpk= 0, iat= 192, 524, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 14 ASP HB3 37 LEU QD1 5.77
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 531, 532, 533,
&end
#
# 14 ASP HB2 37 LEU QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 531, 532, 533,
&end
#
# 14 ASP HB3 37 LEU QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 535, 536, 537,
&end
#
# 14 ASP HB2 37 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 535, 536, 537,
&end
#
# 14 ASP HA 37 LEU QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 535, 536, 537,
&end
#
# 14 ASP HN 37 LEU HB3 6.40
&rst
ixpk= 0, nxpk= 0, iat= 187, 527, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 14 ASP HN 37 LEU HB2 6.32
&rst
ixpk= 0, nxpk= 0, iat= 187, 526, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 14 ASP HN 38 ASP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 545, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 ASP HN 38 ASP HB3 6.07
&rst
ixpk= 0, nxpk= 0, iat= 187, 546, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 14 ASP HN 38 ASP HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 187, 541, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 14 ASP HN 39 PHE HB3 6.65
&rst
ixpk= 0, nxpk= 0, iat= 187, 558, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, &end
#
# 14 ASP HN 39 PHE HB2 6.34
&rst
ixpk= 0, nxpk= 0, iat= 187, 557, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 14 ASP HB3 39 PHE QE 6.10
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 563, 567,
&end
#
# 14 ASP HB2 39 PHE QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 563, 567,
&end
#
# 14 ASP HN 39 PHE QE 6.29
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 563, 567,
&end
#
# 14 ASP HN 39 PHE QD 6.22
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2= 561, 569,
&end
#
# 14 ASP HN 39 PHE HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 187, 555, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 14 ASP HN 40 CYS HN 5.94
&rst
ixpk= 0, nxpk= 0, iat= 187, 573, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 14 ASP HB3 48 HIS HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 192, 682, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 ASP HB2 48 HIS HD2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 191, 682, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 14 ASP HB3 50 THR QG2 6.77
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr2= 707, 708, 709,
&end
#
# 15 ASN HN 13 CYS HB3 6.02
&rst
ixpk= 0, nxpk= 0, iat= 199, 181, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 15 ASN HN 13 CYS HB2 6.13
&rst
ixpk= 0, nxpk= 0, iat= 199, 182, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 15 ASN HB3 16 CYS HB2 6.64
&rst
ixpk= 0, nxpk= 0, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, &end
#
# 15 ASN HB3 16 CYS HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 217, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 ASN HN 16 CYS HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 ASN HN 16 CYS HA 6.88
&rst
ixpk= 0, nxpk= 0, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 15 ASN HN 17 GLY HA3 6.03
&rst
ixpk= 0, nxpk= 0, iat= 199, 226, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 15 ASN HB2 39 PHE QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 563, 567,
&end
#
# 15 ASN HB2 39 PHE QD 5.77
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr2= 561, 569,
&end
#
# 15 ASN HN 39 PHE QE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 563, 567,
&end
#
# 15 ASN HN 39 PHE QD 4.26
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 561, 569,
&end
#
# 15 ASN HN 39 PHE HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= 199, 555, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 15 ASN HB3 43 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 ASN HB2 43 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 203, 608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 ASN HB2 43 CYS HB3 6.13
&rst
ixpk= 0, nxpk= 0, iat= 203, 610, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 15 ASN HB3 43 CYS HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 204, 610, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 15 ASN HB3 43 CYS HB2 5.68
&rst
ixpk= 0, nxpk= 0, iat= 204, 611, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 15 ASN HB2 43 CYS HB3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 203, 610, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 15 ASN HB2 43 CYS HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 203, 611, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 15 ASN HD22 43 CYS HA 5.67
&rst
ixpk= 0, nxpk= 0, iat= 209, 608, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 15 ASN HD21 43 CYS HA 6.19
&rst
ixpk= 0, nxpk= 0, iat= 208, 608, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 15 ASN HN 43 CYS HB3 6.20
&rst
ixpk= 0, nxpk= 0, iat= 199, 610, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 15 ASN HN 43 CYS HB2 6.03
&rst
ixpk= 0, nxpk= 0, iat= 199, 611, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 15 ASN HD22 46 CYS HB3 6.49
&rst
ixpk= 0, nxpk= 0, iat= 209, 644, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 15 ASN HD22 46 CYS HB2 6.12
&rst
ixpk= 0, nxpk= 0, iat= 209, 643, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 16 CYS HA 15 ASN HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= 215, 201, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 16 CYS HN 15 ASN HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 213, 204, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 16 CYS HN 15 ASN HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 213, 203, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 16 CYS HN 15 ASN HD21 4.69
&rst
ixpk= 0, nxpk= 0, iat= 213, 208, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 16 CYS HN 15 ASN HD22 4.84
&rst
ixpk= 0, nxpk= 0, iat= 213, 209, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 16 CYS HN 15 ASN HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 213, 201, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 16 CYS HB3 15 ASN HD21 7.00
&rst
ixpk= 0, nxpk= 0, iat= 217, 208, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 16 CYS HB2 15 ASN HD21 6.25
&rst
ixpk= 0, nxpk= 0, iat= 218, 208, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 16 CYS HB2 15 ASN HD22 5.81
&rst
ixpk= 0, nxpk= 0, iat= 218, 209, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 16 CYS HB3 15 ASN HD22 6.30
&rst
ixpk= 0, nxpk= 0, iat= 217, 209, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 16 CYS HN 17 GLY HA2 6.24
&rst
ixpk= 0, nxpk= 0, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 16 CYS HN 17 GLY HA3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 213, 226, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 16 CYS HB2 18 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 234, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 16 CYS HN 39 PHE QE 6.10
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 563, 567,
&end
#
# 16 CYS HN 39 PHE QD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 561, 569,
&end
#
# 16 CYS HN 43 CYS HA 5.82
&rst
ixpk= 0, nxpk= 0, iat= 213, 608, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 16 CYS HN 43 CYS HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 213, 611, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 16 CYS HN 43 CYS HB3 5.77
&rst
ixpk= 0, nxpk= 0, iat= 213, 610, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 17 GLY HN 13 CYS HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 223, 182, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 17 GLY HN 13 CYS HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 223, 181, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 17 GLY HN 15 ASN HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 223, 199, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 17 GLY HN 16 CYS HA 6.67
&rst
ixpk= 0, nxpk= 0, iat= 223, 215, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 17 GLY HN 16 CYS HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 223, 213, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 17 GLY HN 16 CYS HB3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 223, 217, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 17 GLY HN 16 CYS HB2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 223, 218, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 19 GLU HN 18 ILE HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= 249, 232, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 17 GLY HN 18 ILE HB 5.71
&rst
ixpk= 0, nxpk= 0, iat= 223, 234, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 17 GLY HN 18 ILE HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 223, 230, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 17 GLY HN 18 ILE QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 236, 237, 238,
&end
#
# 17 GLY HN 18 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 223, 234, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 ILE QG2 13 CYS HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 236, 237, 238,
&end
#
# 18 ILE QG2 13 CYS HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 236, 237, 238,
&end
#
# 18 ILE HN 13 CYS HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 230, 181, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 18 ILE HN 13 CYS HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 230, 182, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 18 ILE QG2 15 ASN HN 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 236, 237, 238,
&end
#
# 18 ILE HN 15 ASN HN 5.67
&rst
ixpk= 0, nxpk= 0, iat= 230, 199, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 18 ILE QG2 16 CYS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 236, 237, 238,
&end
#
# 18 ILE HN 16 CYS HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 230, 213, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 18 ILE HN 16 CYS HB3 6.27
&rst
ixpk= 0, nxpk= 0, iat= 230, 217, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 18 ILE HN 16 CYS HB2 5.64
&rst
ixpk= 0, nxpk= 0, iat= 230, 218, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 18 ILE HA 17 GLY HA3 6.88
&rst
ixpk= 0, nxpk= 0, iat= 232, 226, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 18 ILE QG2 17 GLY HA3 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 236, 237, 238,
&end
#
# 18 ILE HN 17 GLY HA2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 230, 225, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 ILE HN 17 GLY HA3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 230, 226, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 18 ILE QG2 22 GLN HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 236, 237, 238,
&end
#
# 18 ILE QG2 40 CYS HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 236, 237, 238,
&end
#
# 18 ILE QG2 40 CYS HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 236, 237, 238,
&end
#
# 18 ILE QG2 42 SER HB3 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 236, 237, 238,
&end
#
# 18 ILE QG2 42 SER HN 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 236, 237, 238,
&end
#
# 18 ILE QG2 43 CYS HN 6.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 236, 237, 238,
&end
#
# 19 GLU HA 18 ILE HA 6.37
&rst
ixpk= 0, nxpk= 0, iat= 251, 232, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 19 GLU HB2 18 ILE HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 253, 232, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 19 GLU HB3 18 ILE HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= 254, 232, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 19 GLU HA 18 ILE QG2 5.74
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 236, 237, 238,
&end
#
# 19 GLU HN 18 ILE QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 236, 237, 238,
&end
#
# 19 GLU HB3 18 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 236, 237, 238,
&end
#
# 19 GLU HN 18 ILE QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 243, 244, 245,
&end
#
# 19 GLU HA 18 ILE HG13 6.86
&rst
ixpk= 0, nxpk= 0, iat= 251, 241, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, &end
#
# 19 GLU HA 18 ILE HG12 6.67
&rst
ixpk= 0, nxpk= 0, iat= 251, 240, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 19 GLU HN 18 ILE HG13 4.04
&rst
ixpk= 0, nxpk= 0, iat= 249, 241, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 19 GLU HN 18 ILE HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 249, 230, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 19 GLU HN 18 ILE HA 3.29
&rst
ixpk= 0, nxpk= 0, iat= 249, 232, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 19 GLU HN 18 ILE HB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 249, 234, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 19 GLU HN 18 ILE HG12 4.34
&rst
ixpk= 0, nxpk= 0, iat= 249, 240, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 19 GLU HN 18 ILE QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 236, 237, 238,
&end
#
# 19 GLU HB2 20 PRO HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 19 GLU HA 20 PRO HG2 5.68
&rst
ixpk= 0, nxpk= 0, iat= 251, 268, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 19 GLU HA 20 PRO HG3 6.33
&rst
ixpk= 0, nxpk= 0, iat= 251, 269, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 19 GLU HB2 20 PRO HD2 5.94
&rst
ixpk= 0, nxpk= 0, iat= 253, 265, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 19 GLU HN 20 PRO HA 6.55
&rst
ixpk= 0, nxpk= 0, iat= 249, 274, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 19 GLU HN 20 PRO HD2 6.96
&rst
ixpk= 0, nxpk= 0, iat= 249, 265, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 20 PRO HG2 8 HIS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 268, 100, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 PRO HG3 8 HIS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 269, 99, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 PRO HG2 8 HIS HN 6.35
&rst
ixpk= 0, nxpk= 0, iat= 268, 95, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 20 PRO HG3 8 HIS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 269, 95, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 GLU QB 8 HIS HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 82, 83,
&end
#
# 20 PRO HA 9 VAL HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 274, 114, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 20 PRO HG2 9 VAL HA 4.05
&rst
ixpk= 0, nxpk= 0, iat= 268, 114, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 20 PRO HG3 9 VAL HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 269, 114, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 20 PRO HG2 9 VAL HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 268, 112, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 20 PRO HA 18 ILE QG2 5.79
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2= 236, 237, 238,
&end
#
# 20 PRO HA 19 GLU HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= 274, 251, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 20 PRO HB3 19 GLU HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 272, 251, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 20 PRO HB2 19 GLU HA 6.09
&rst
ixpk= 0, nxpk= 0, iat= 271, 251, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 20 PRO HB2 20 PRO HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 271, 274, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 PRO HA 21 ILE HB 5.78
&rst
ixpk= 0, nxpk= 0, iat= 274, 282, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 20 PRO HA 21 ILE HA 6.71
&rst
ixpk= 0, nxpk= 0, iat= 274, 280, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 20 PRO HA 21 ILE HG12 7.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 PRO HA 21 ILE HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 274, 278, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 20 PRO HG2 21 ILE HB 6.79
&rst
ixpk= 0, nxpk= 0, iat= 268, 282, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 20 PRO HB2 21 ILE HN 6.81
&rst
ixpk= 0, nxpk= 0, iat= 271, 278, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, &end
#
# 20 PRO HG3 22 GLN HG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 269, 304, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 20 PRO HG2 22 GLN HE22 6.29
&rst
ixpk= 0, nxpk= 0, iat= 268, 310, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 20 PRO HG3 22 GLN HE22 7.00
&rst
ixpk= 0, nxpk= 0, iat= 269, 310, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 20 PRO HG3 22 GLN HE22 5.65
&rst
ixpk= 0, nxpk= 0, iat= 269, 310, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 20 PRO HG3 22 GLN HE21 5.98
&rst
ixpk= 0, nxpk= 0, iat= 269, 309, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 21 ILE HB 8 HIS HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 282, 99, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ILE HB 8 HIS HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 282, 100, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 21 ILE HN 8 HIS HB3 5.56
&rst
ixpk= 0, nxpk= 0, iat= 278, 100, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 21 ILE QD1 8 HIS HB2 6.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 291, 292, 293,
&end
#
# 21 ILE QG2 8 HIS HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 8 HIS HB2 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 8 HIS HB3 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 8 HIS HD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 8 HIS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 284, 285, 286,
&end
#
# 21 ILE HN 8 HIS HB2 6.49
&rst
ixpk= 0, nxpk= 0, iat= 278, 99, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 21 ILE QD1 11 PHE QD 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 291, 292, 293,
igr2= 143, 151,
&end
#
# 21 ILE HB 11 PHE HB3 6.83
&rst
ixpk= 0, nxpk= 0, iat= 282, 140, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, &end
#
# 21 ILE QD1 11 PHE HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 291, 292, 293,
&end
#
# 21 ILE QD1 11 PHE HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 291, 292, 293,
&end
#
# 21 ILE QG2 11 PHE HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 284, 285, 286,
&end
#
# 21 ILE HG13 11 PHE HB2 6.45
&rst
ixpk= 0, nxpk= 0, iat= 289, 139, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 21 ILE QG2 11 PHE HB3 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 284, 285, 286,
&end
#
# 21 ILE HG13 11 PHE HB3 6.43
&rst
ixpk= 0, nxpk= 0, iat= 289, 140, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, &end
#
# 21 ILE HN 11 PHE HB3 6.26
&rst
ixpk= 0, nxpk= 0, iat= 278, 140, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 21 ILE QD1 13 CYS HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 291, 292, 293,
&end
#
# 21 ILE QD1 13 CYS HB3 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 291, 292, 293,
&end
#
# 21 ILE HG12 13 CYS HB2 6.33
&rst
ixpk= 0, nxpk= 0, iat= 288, 182, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 21 ILE HG13 13 CYS HB2 6.40
&rst
ixpk= 0, nxpk= 0, iat= 289, 182, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 21 ILE HG12 13 CYS HB3 6.14
&rst
ixpk= 0, nxpk= 0, iat= 288, 181, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 21 ILE HG13 13 CYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 289, 181, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 ILE QG2 13 CYS HB2 6.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 284, 285, 286,
&end
#
# 21 ILE HA 18 ILE QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 236, 237, 238,
&end
#
# 21 ILE QD1 18 ILE QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 291, 292, 293,
igr2= 236, 237, 238,
&end
#
# 21 ILE QG2 18 ILE QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 284, 285, 286,
igr2= 236, 237, 238,
&end
#
# 21 ILE HG12 18 ILE QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 236, 237, 238,
&end
#
# 21 ILE HG13 18 ILE QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 236, 237, 238,
&end
#
# 21 ILE HA 18 ILE QD1 5.67
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 243, 244, 245,
&end
#
# 21 ILE QG2 18 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 284, 285, 286,
igr2= 243, 244, 245,
&end
#
# 21 ILE HG12 18 ILE QD1 6.58
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr2= 243, 244, 245,
&end
#
# 21 ILE HA 18 ILE HG13 7.00
&rst
ixpk= 0, nxpk= 0, iat= 280, 241, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 ILE HA 18 ILE HG12 6.15
&rst
ixpk= 0, nxpk= 0, iat= 280, 240, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 21 ILE HG13 18 ILE HG13 5.47
&rst
ixpk= 0, nxpk= 0, iat= 289, 241, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 21 ILE HG12 18 ILE HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 288, 230, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 ILE HG13 18 ILE HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 289, 230, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 ILE HN 19 GLU HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 278, 251, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 21 ILE HA 19 GLU HA 6.60
&rst
ixpk= 0, nxpk= 0, iat= 280, 251, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 21 ILE HN 20 PRO HG2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 278, 268, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 21 ILE HA 20 PRO HG2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 280, 268, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 21 ILE HN 20 PRO HD2 6.91
&rst
ixpk= 0, nxpk= 0, iat= 278, 265, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, &end
#
# 21 ILE HG12 21 ILE HG13 4.10
&rst
ixpk= 0, nxpk= 0, iat= 288, 289, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 21 ILE HA 22 GLN HB2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 280, 301, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 21 ILE HA 22 GLN HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 280, 297, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 21 ILE QG2 22 GLN HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 284, 285, 286,
&end
#
# 21 ILE HA 22 GLN HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 280, 299, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 21 ILE QG2 22 GLN HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 284, 285, 286,
&end
#
# 21 ILE HA 22 GLN HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 280, 304, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 ILE HA 22 GLN HG3 6.28
&rst
ixpk= 0, nxpk= 0, iat= 280, 305, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 21 ILE HA 22 GLN HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 280, 301, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 ILE HA 22 GLN HB3 6.09
&rst
ixpk= 0, nxpk= 0, iat= 280, 302, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 21 ILE QD1 22 GLN HN 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 291, 292, 293,
&end
#
# 21 ILE HN 22 GLN HN 6.11
&rst
ixpk= 0, nxpk= 0, iat= 278, 297, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 21 ILE HG12 22 GLN HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 288, 297, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 21 ILE HG13 22 GLN HN 5.83
&rst
ixpk= 0, nxpk= 0, iat= 289, 297, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 21 ILE QG2 23 GLY HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 24 VAL HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 24 VAL HN 6.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 25 ARG HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 284, 285, 286,
&end
#
# 21 ILE QD1 25 ARG HA 6.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 291, 292, 293,
&end
#
# 21 ILE QG2 25 ARG HN 6.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 26 TRP HN 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 284, 285, 286,
&end
#
# 21 ILE QD1 26 TRP HN 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 291, 292, 293,
&end
#
# 21 ILE QD1 38 ASP HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 291, 292, 293,
&end
#
# 21 ILE QD1 38 ASP HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 291, 292, 293,
&end
#
# 21 ILE QG2 38 ASP HB2 6.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 38 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 284, 285, 286,
&end
#
# 21 ILE QD1 39 PHE HA 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 291, 292, 293,
&end
#
# 21 ILE QG2 39 PHE HA 6.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 284, 285, 286,
&end
#
# 21 ILE QG2 39 PHE HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 284, 285, 286,
&end
#
# 21 ILE QD1 39 PHE HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 291, 292, 293,
&end
#
# 21 ILE HB 40 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 282, 575, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 21 ILE HA 40 CYS HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 280, 575, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 21 ILE HG12 40 CYS HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 288, 575, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 21 ILE HG13 40 CYS HA 6.07
&rst
ixpk= 0, nxpk= 0, iat= 289, 575, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 21 ILE QD1 40 CYS HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 291, 292, 293,
&end
#
# 21 ILE QG2 40 CYS HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 284, 285, 286,
&end
#
# 21 ILE QD1 40 CYS HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 291, 292, 293,
&end
#
# 21 ILE HG13 40 CYS HN 6.58
&rst
ixpk= 0, nxpk= 0, iat= 289, 573, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, &end
#
# 21 ILE QG2 40 CYS HN 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 284, 285, 286,
&end
#
# 21 ILE HG12 40 CYS HN 6.07
&rst
ixpk= 0, nxpk= 0, iat= 288, 573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 21 ILE QG2 41 ASP HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 284, 285, 286,
&end
#
# 21 ILE HG12 42 SER HN 6.43
&rst
ixpk= 0, nxpk= 0, iat= 288, 595, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, &end
#
# 22 GLN HA 7 GLN HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat= 299, 83, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 22 GLN HA 6 VAL HB 6.47
&rst
ixpk= 0, nxpk= 0, iat= 299, 66, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 22 GLN HG2 7 GLN HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= 304, 80, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 22 GLN HG3 7 GLN HA 5.67
&rst
ixpk= 0, nxpk= 0, iat= 305, 80, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 22 GLN HA 7 GLN HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= 299, 80, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 22 GLN HB2 7 GLN HA 6.53
&rst
ixpk= 0, nxpk= 0, iat= 301, 80, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end
#
# 22 GLN HB3 7 GLN HA 6.01
&rst
ixpk= 0, nxpk= 0, iat= 302, 80, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 22 GLN HA 7 GLN HB3 5.64
&rst
ixpk= 0, nxpk= 0, iat= 299, 83, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 22 GLN HA 7 GLN HB2 5.87
&rst
ixpk= 0, nxpk= 0, iat= 299, 82, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 22 GLN HA 7 GLN HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 299, 82, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 22 GLN HG2 7 GLN HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 304, 83, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 22 GLN HG3 7 GLN HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 305, 83, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 22 GLN HG2 7 GLN HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 304, 82, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 22 GLN HG3 7 GLN HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 305, 82, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 22 GLN HE21 7 GLN HE22 7.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 GLN HE21 7 GLN HE21 6.22
&rst
ixpk= 0, nxpk= 0, iat= 309, 90, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, &end
#
# 22 GLN HE22 7 GLN HB3 6.34
&rst
ixpk= 0, nxpk= 0, iat= 310, 83, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 22 GLN HA 7 GLN HN 6.37
&rst
ixpk= 0, nxpk= 0, iat= 299, 78, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 22 GLN HA 8 HIS HD2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 299, 108, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 22 GLN HE21 9 VAL HB 6.04
&rst
ixpk= 0, nxpk= 0, iat= 309, 116, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 22 GLN HN 18 ILE QD1 5.65
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 243, 244, 245,
&end
#
# 22 GLN HG2 18 ILE QD1 6.36
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr2= 243, 244, 245,
&end
#
# 22 GLN HG3 18 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 243, 244, 245,
&end
#
# 22 GLN HG2 18 ILE HG12 7.00
&rst
ixpk= 0, nxpk= 0, iat= 304, 240, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 GLN HG3 18 ILE HG12 6.36
&rst
ixpk= 0, nxpk= 0, iat= 305, 240, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 22 GLN HN 18 ILE HG12 6.33
&rst
ixpk= 0, nxpk= 0, iat= 297, 240, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 22 GLN HN 18 ILE HG13 6.98
&rst
ixpk= 0, nxpk= 0, iat= 297, 241, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 22 GLN HG2 20 PRO HD2 6.67
&rst
ixpk= 0, nxpk= 0, iat= 304, 265, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 22 GLN HG3 20 PRO HD2 6.29
&rst
ixpk= 0, nxpk= 0, iat= 305, 265, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 22 GLN HN 21 ILE HB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 297, 282, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 22 GLN HB2 23 GLY HA3 6.45
&rst
ixpk= 0, nxpk= 0, iat= 301, 317, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 22 GLN HB3 23 GLY HA3 5.64
&rst
ixpk= 0, nxpk= 0, iat= 302, 317, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 22 GLN HB3 23 GLY HA3 6.16
&rst
ixpk= 0, nxpk= 0, iat= 302, 317, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 22 GLN HB2 23 GLY HA2 6.26
&rst
ixpk= 0, nxpk= 0, iat= 301, 316, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 22 GLN HB3 23 GLY HA2 5.96
&rst
ixpk= 0, nxpk= 0, iat= 302, 316, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 22 GLN HA 23 GLY HA3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 299, 317, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 22 GLN HA 23 GLY HA2 5.67
&rst
ixpk= 0, nxpk= 0, iat= 299, 316, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 22 GLN HN 23 GLY HA2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 297, 316, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 GLN HA 24 VAL HN 6.27
&rst
ixpk= 0, nxpk= 0, iat= 299, 321, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 22 GLN HN 40 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 297, 575, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 GLY HA2 3 LEU QD1 6.45
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr2= 34, 35, 36,
&end
#
# 23 GLY HA3 3 LEU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 317, 27, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 GLY HN 4 GLY HA2 6.62
&rst
ixpk= 0, nxpk= 0, iat= 314, 46, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 23 GLY HN 6 VAL QG2 6.11
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr2= 72, 73, 74,
&end
#
# 23 GLY HN 6 VAL HB 6.90
&rst
ixpk= 0, nxpk= 0, iat= 314, 66, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 23 GLY HA3 6 VAL HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 317, 66, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 23 GLY HA2 6 VAL HB 5.82
&rst
ixpk= 0, nxpk= 0, iat= 316, 66, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 23 GLY HN 6 VAL QG1 5.78
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2= 68, 69, 70,
&end
#
# 23 GLY HN 6 VAL HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 314, 64, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 GLY HN 6 VAL HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 314, 62, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 23 GLY HN 7 GLN HA 5.76
&rst
ixpk= 0, nxpk= 0, iat= 314, 80, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 23 GLY HN 7 GLN HB2 6.40
&rst
ixpk= 0, nxpk= 0, iat= 314, 82, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 23 GLY HN 7 GLN HN 5.69
&rst
ixpk= 0, nxpk= 0, iat= 314, 78, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 23 GLY HN 8 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 314, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLY HN 22 GLN HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 314, 299, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 23 GLY HN 22 GLN HG3 6.80
&rst
ixpk= 0, nxpk= 0, iat= 314, 305, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 23 GLY HN 22 GLN HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 314, 301, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 23 GLY HN 22 GLN HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 314, 302, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 23 GLY HN 22 GLN HN 6.55
&rst
ixpk= 0, nxpk= 0, iat= 314, 297, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 23 GLY HN 22 GLN HG2 5.96
&rst
ixpk= 0, nxpk= 0, iat= 314, 304, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 23 GLY HA3 24 VAL HA 6.26
&rst
ixpk= 0, nxpk= 0, iat= 317, 323, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 23 GLY HA2 24 VAL HA 6.30
&rst
ixpk= 0, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 23 GLY HA3 24 VAL QG2 6.80
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2= 331, 332, 333,
&end
#
# 23 GLY HA3 24 VAL QG1 5.85
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2= 327, 328, 329,
&end
#
# 23 GLY HA2 24 VAL QG1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 327, 328, 329,
&end
#
# 23 GLY HA3 24 VAL HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 317, 325, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 GLY HA2 24 VAL HB 6.28
&rst
ixpk= 0, nxpk= 0, iat= 316, 325, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 23 GLY HN 24 VAL HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 314, 321, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 23 GLY HA2 41 ASP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 587, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 GLY HA2 41 ASP HB3 6.59
&rst
ixpk= 0, nxpk= 0, iat= 316, 588, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 23 GLY HA3 41 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 317, 583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 GLY HA2 41 ASP HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 583, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 24 VAL HA 3 LEU HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 323, 27, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 24 VAL QG1 3 LEU QD2 6.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 327, 328, 329,
igr2= 38, 39, 40,
&end
#
# 24 VAL QG1 3 LEU HB2 6.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 29, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG1 3 LEU HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG1 3 LEU HG 6.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 327, 328, 329,
&end
#
# 24 VAL HN 23 GLY HA3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 321, 317, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 24 VAL HN 23 GLY HA2 3.39
&rst
ixpk= 0, nxpk= 0, iat= 321, 316, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 24 VAL HA 25 ARG HB3 6.42
&rst
ixpk= 0, nxpk= 0, iat= 323, 342, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, &end
#
# 24 VAL QG2 25 ARG HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG1 25 ARG HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 327, 328, 329,
&end
#
# 24 VAL HN 25 ARG HN 5.83
&rst
ixpk= 0, nxpk= 0, iat= 321, 337, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 24 VAL HB 26 TRP HE1 5.65
&rst
ixpk= 0, nxpk= 0, iat= 325, 371, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 24 VAL HB 41 ASP HB2 5.93
&rst
ixpk= 0, nxpk= 0, iat= 325, 587, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 24 VAL HB 41 ASP HB3 5.87
&rst
ixpk= 0, nxpk= 0, iat= 325, 588, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 24 VAL QG2 41 ASP HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG2 41 ASP HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG1 41 ASP HB3 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG2 41 ASP HA 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 331, 332, 333,
&end
#
# 24 VAL HN 41 ASP HB3 5.78
&rst
ixpk= 0, nxpk= 0, iat= 321, 588, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 24 VAL HN 41 ASP HB2 6.34
&rst
ixpk= 0, nxpk= 0, iat= 321, 587, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 24 VAL HN 41 ASP HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 321, 583, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 24 VAL QG2 61 PRO HG2 6.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG2 61 PRO HG3 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG1 61 PRO HG2 6.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG1 61 PRO HG3 6.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG2 61 PRO HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG2 61 PRO HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG1 61 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG2 61 PRO HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG1 61 PRO HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG2 62 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG1 62 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG1 62 ILE QG2 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 327, 328, 329,
igr2= 898, 899, 900,
&end
#
# 24 VAL QG1 62 ILE QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 327, 328, 329,
igr2= 898, 899, 900,
&end
#
# 24 VAL HA 63 TYR HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= 323, 913, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 VAL HB 63 TYR HA 6.78
&rst
ixpk= 0, nxpk= 0, iat= 325, 913, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 24 VAL QG2 63 TYR QE 6.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
igr1= 331, 332, 333,
igr2= 921, 926,
&end
#
# 24 VAL QG1 63 TYR QE 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1= 327, 328, 329,
igr2= 921, 926,
&end
#
# 24 VAL QG1 63 TYR HB2 6.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG1 63 TYR HB3 6.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 327, 328, 329,
&end
#
# 24 VAL QG2 63 TYR HA 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 331, 332, 333,
&end
#
# 24 VAL QG1 63 TYR HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 327, 328, 329,
&end
#
# 24 VAL HN 63 TYR QE 6.36
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr2= 921, 926,
&end
#
# 24 VAL HN 63 TYR QD 6.42
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 919, 928,
&end
#
# 25 ARG HN 24 VAL QG1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 327, 328, 329,
&end
#
# 25 ARG HN 24 VAL HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 337, 325, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 25 ARG HN 24 VAL HA 3.27
&rst
ixpk= 0, nxpk= 0, iat= 337, 323, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 25 ARG HN 24 VAL QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 331, 332, 333,
&end
#
# 25 ARG HA 25 ARG HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 339, 341, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 25 ARG HN 26 TRP HA 6.08
&rst
ixpk= 0, nxpk= 0, iat= 337, 363, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 25 ARG HN 61 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 337, 888, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ARG HN 62 ILE HA 6.94
&rst
ixpk= 0, nxpk= 0, iat= 337, 894, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 25 ARG HN 62 ILE HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 337, 896, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 25 ARG HN 62 ILE HG13 5.86
&rst
ixpk= 0, nxpk= 0, iat= 337, 903, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 25 ARG HN 62 ILE QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 898, 899, 900,
&end
#
# 25 ARG HN 62 ILE QD1 6.48
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 905, 906, 907,
&end
#
# 25 ARG HN 63 TYR HN 6.89
&rst
ixpk= 0, nxpk= 0, iat= 337, 911, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 25 ARG HN 63 TYR HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 337, 913, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 26 TRP HE1 24 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 331, 332, 333,
&end
#
# 26 TRP HE1 24 VAL QG1 5.76
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2= 327, 328, 329,
&end
#
# 26 TRP HB3 24 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 331, 332, 333,
&end
#
# 26 TRP HN 24 VAL QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 327, 328, 329,
&end
#
# 26 TRP HN 24 VAL QG2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 331, 332, 333,
&end
#
# 26 TRP HN 24 VAL HB 6.74
&rst
ixpk= 0, nxpk= 0, iat= 361, 325, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 26 TRP HA 25 ARG HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= 363, 339, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 26 TRP HB3 25 ARG HA 5.78
&rst
ixpk= 0, nxpk= 0, iat= 366, 339, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 26 TRP HN 25 ARG HA 3.60
&rst
ixpk= 0, nxpk= 0, iat= 361, 339, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 26 TRP HN 25 ARG HN 5.77
&rst
ixpk= 0, nxpk= 0, iat= 361, 337, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 26 TRP HN 25 ARG HB3 6.06
&rst
ixpk= 0, nxpk= 0, iat= 361, 342, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 26 TRP HN 25 ARG HB2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 361, 341, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 26 TRP HB3 27 HIS HA 6.20
&rst
ixpk= 0, nxpk= 0, iat= 366, 387, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 26 TRP HE1 41 ASP HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 371, 585, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 26 TRP HE1 41 ASP HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 371, 588, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 26 TRP HN 41 ASP HA 6.37
&rst
ixpk= 0, nxpk= 0, iat= 361, 585, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 26 TRP HE1 41 ASP HB2 6.75
&rst
ixpk= 0, nxpk= 0, iat= 371, 587, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 26 TRP HB3 44 SER HA 6.44
&rst
ixpk= 0, nxpk= 0, iat= 366, 618, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 26 TRP HB2 44 SER HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 365, 618, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 TRP HE1 44 SER HB2 6.27
&rst
ixpk= 0, nxpk= 0, iat= 371, 620, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 26 TRP HN 44 SER HB2 6.22
&rst
ixpk= 0, nxpk= 0, iat= 361, 620, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, &end
#
# 26 TRP HE1 44 SER HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 621, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 TRP HB3 61 PRO HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 366, 888, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 TRP HE1 61 PRO HB3 6.94
&rst
ixpk= 0, nxpk= 0, iat= 371, 886, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44, &end
#
# 26 TRP HN 61 PRO HA 6.18
&rst
ixpk= 0, nxpk= 0, iat= 361, 888, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 26 TRP HE1 61 PRO HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 888, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 TRP HA 62 ILE QD1 5.91
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2= 905, 906, 907,
&end
#
# 26 TRP HN 62 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 361, 896, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 HIS HN 24 VAL QG2 6.86
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr2= 331, 332, 333,
&end
#
# 27 HIS HN 26 TRP HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= 385, 363, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 27 HIS HA 26 TRP HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 387, 363, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 27 HIS HB2 26 TRP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 389, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 HIS HN 26 TRP HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 385, 361, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 27 HIS HN 26 TRP HB3 6.51
&rst
ixpk= 0, nxpk= 0, iat= 385, 366, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 27 HIS HA 28 CYS HB2 6.32
&rst
ixpk= 0, nxpk= 0, iat= 387, 407, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 27 HIS HN 28 CYS HN 6.39
&rst
ixpk= 0, nxpk= 0, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 27 HIS HN 39 PHE HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 553, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 HIS HN 59 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 853, 854, 855,
&end
#
# 27 HIS HN 59 LEU HA 5.94
&rst
ixpk= 0, nxpk= 0, iat= 385, 846, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 27 HIS HN 59 LEU HB2 6.70
&rst
ixpk= 0, nxpk= 0, iat= 385, 848, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 27 HIS HN 59 LEU HB3 6.66
&rst
ixpk= 0, nxpk= 0, iat= 385, 849, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 27 HIS HN 60 GLU HB2 6.13
&rst
ixpk= 0, nxpk= 0, iat= 385, 867, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 27 HIS HN 60 GLU HB3 6.57
&rst
ixpk= 0, nxpk= 0, iat= 385, 868, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, &end
#
# 27 HIS HN 60 GLU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 HIS HN 60 GLU HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 385, 863, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 27 HIS HN 61 PRO HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 385, 888, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 27 HIS HB2 62 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 898, 899, 900,
&end
#
# 27 HIS HA 62 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 905, 906, 907,
&end
#
# 27 HIS HB3 62 ILE HG13 6.76
&rst
ixpk= 0, nxpk= 0, iat= 390, 903, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, &end
#
# 27 HIS HB3 62 ILE HG12 6.66
&rst
ixpk= 0, nxpk= 0, iat= 390, 902, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 27 HIS HB2 62 ILE HG13 6.68
&rst
ixpk= 0, nxpk= 0, iat= 389, 903, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, &end
#
# 27 HIS HB2 62 ILE HG12 7.00
&rst
ixpk= 0, nxpk= 0, iat= 389, 902, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 HIS HB3 62 ILE QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 905, 906, 907,
&end
#
# 27 HIS HB2 62 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 905, 906, 907,
&end
#
# 27 HIS HN 62 ILE HG12 6.63
&rst
ixpk= 0, nxpk= 0, iat= 385, 902, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end
#
# 27 HIS HN 62 ILE HG13 6.37
&rst
ixpk= 0, nxpk= 0, iat= 385, 903, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, &end
#
# 27 HIS HN 62 ILE QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 905, 906, 907,
&end
#
# 27 HIS HN 62 ILE HB 6.51
&rst
ixpk= 0, nxpk= 0, iat= 385, 896, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 28 CYS HA 27 HIS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 387, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 CYS HN 27 HIS HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 402, 387, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 28 CYS HN 27 HIS HD2 6.87
&rst
ixpk= 0, nxpk= 0, iat= 402, 398, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, &end
#
# 28 CYS HN 27 HIS HB3 6.64
&rst
ixpk= 0, nxpk= 0, iat= 402, 390, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, &end
#
# 28 CYS HN 27 HIS HB2 6.22
&rst
ixpk= 0, nxpk= 0, iat= 402, 389, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, &end
#
# 28 CYS HA 29 GLN HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= 404, 414, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 28 CYS HA 29 GLN HG3 6.13
&rst
ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 28 CYS HA 29 GLN HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 419, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 CYS HA 29 GLN HB2 6.21
&rst
ixpk= 0, nxpk= 0, iat= 404, 416, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 28 CYS HA 29 GLN HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 404, 412, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 28 CYS HN 29 GLN HN 5.78
&rst
ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 28 CYS HB2 31 CYS HB2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 407, 446, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 28 CYS HB3 31 CYS HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 406, 446, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 28 CYS HB2 31 CYS HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 407, 445, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 28 CYS HB3 31 CYS HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 406, 445, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 28 CYS HN 31 CYS HB3 6.56
&rst
ixpk= 0, nxpk= 0, iat= 402, 445, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 28 CYS HB3 36 SER HA 5.86
&rst
ixpk= 0, nxpk= 0, iat= 406, 513, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 28 CYS HN 36 SER HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 CYS HB3 37 LEU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 406, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 CYS HN 37 LEU HN 6.32
&rst
ixpk= 0, nxpk= 0, iat= 402, 522, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 28 CYS HN 37 LEU HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 402, 527, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 28 CYS HB2 37 LEU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 407, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 CYS HN 37 LEU HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 402, 526, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 28 CYS HN 39 PHE QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 563, 567,
&end
#
# 28 CYS HA 59 LEU HG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 851, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 CYS HA 59 LEU HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 404, 846, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 CYS HA 59 LEU HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 404, 844, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 28 CYS HN 59 LEU HA 6.91
&rst
ixpk= 0, nxpk= 0, iat= 402, 846, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, &end
#
# 28 CYS HN 60 GLU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 863, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 GLN HA 27 HIS HD2 5.85
&rst
ixpk= 0, nxpk= 0, iat= 414, 398, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 29 GLN HA 28 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 407, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 GLN HA 28 CYS HB3 6.33
&rst
ixpk= 0, nxpk= 0, iat= 414, 406, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 29 GLN HN 28 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 407, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 GLN HN 28 CYS HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 412, 406, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 29 GLN HA 30 ASP HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 414, 431, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 29 GLN HB2 30 ASP HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 416, 431, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 GLN HB3 30 ASP HA 6.65
&rst
ixpk= 0, nxpk= 0, iat= 417, 431, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, &end
#
# 29 GLN HN 30 ASP HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= 412, 431, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 29 GLN HB3 58 GLN HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 417, 835, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 29 GLN HB3 58 GLN HG2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 417, 834, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 29 GLN HB3 58 GLN HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 417, 829, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 GLN HN 58 GLN HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 831, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 GLN HN 59 LEU HN 6.53
&rst
ixpk= 0, nxpk= 0, iat= 412, 844, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end
#
# 29 GLN HN 59 LEU HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 412, 846, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 29 GLN HG3 60 GLU HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 420, 865, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 29 GLN HG2 60 GLU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 29 GLN HE21 60 GLU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 GLN HE22 60 GLU HG3 5.68
&rst
ixpk= 0, nxpk= 0, iat= 425, 871, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 29 GLN HE22 60 GLU HG2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 425, 870, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 29 GLN HE22 60 GLU HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 425, 867, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 29 GLN HE22 60 GLU HB3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 425, 868, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 30 ASP HN 28 CYS HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= 429, 404, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 30 ASP HN 28 CYS HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat= 429, 406, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 30 ASP HN 28 CYS HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 429, 407, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 30 ASP HN 29 GLN HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 429, 414, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 30 ASP HB3 29 GLN HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 416, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ASP HN 29 GLN HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 429, 416, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 30 ASP HB2 29 GLN HN 5.71
&rst
ixpk= 0, nxpk= 0, iat= 433, 412, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 30 ASP HN 29 GLN HG3 5.57
&rst
ixpk= 0, nxpk= 0, iat= 429, 420, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 30 ASP HN 29 GLN HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= 429, 412, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 30 ASP HB3 29 GLN HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ASP HN 29 GLN HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 429, 417, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 30 ASP HA 31 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 431, 443, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ASP HB2 31 CYS HA 5.85
&rst
ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 30 ASP HN 31 CYS HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 429, 445, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 30 ASP HB2 31 CYS HB2 6.39
&rst
ixpk= 0, nxpk= 0, iat= 433, 446, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 30 ASP HN 31 CYS HB2 6.14
&rst
ixpk= 0, nxpk= 0, iat= 429, 446, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 30 ASP HB3 57 HIS HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 434, 816, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 30 ASP HB2 57 HIS HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 433, 816, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 30 ASP HB3 57 HIS HB2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 434, 815, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 30 ASP HB2 57 HIS HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 433, 815, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 30 ASP HN 57 HIS HB2 6.78
&rst
ixpk= 0, nxpk= 0, iat= 429, 815, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 30 ASP HN 57 HIS HB3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 429, 816, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 30 ASP HN 57 HIS HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 429, 813, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 30 ASP HB3 58 GLN HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 835, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ASP HB3 58 GLN HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 834, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ASP HB2 58 GLN HB2 5.96
&rst
ixpk= 0, nxpk= 0, iat= 433, 831, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 30 ASP HN 58 GLN HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 429, 827, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 31 CYS HN 28 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 441, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 31 CYS HN 28 CYS HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 441, 407, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 31 CYS HN 28 CYS HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 441, 406, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 31 CYS HN 29 GLN HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 441, 414, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 31 CYS HN 29 GLN HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= 441, 412, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 31 CYS HN 30 ASP HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 441, 431, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 31 CYS HN 30 ASP HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 441, 433, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 31 CYS HN 30 ASP HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= 441, 429, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 31 CYS HN 30 ASP HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 441, 434, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 31 CYS HN 32 PRO HD3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 441, 453, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 31 CYS HN 32 PRO HD2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 441, 452, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 31 CYS HB2 35 MET HG2 6.55
&rst
ixpk= 0, nxpk= 0, iat= 446, 501, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 31 CYS HB3 35 MET HG2 6.21
&rst
ixpk= 0, nxpk= 0, iat= 445, 501, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 31 CYS HB2 36 SER HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 446, 513, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 31 CYS HB3 36 SER HA 5.63
&rst
ixpk= 0, nxpk= 0, iat= 445, 513, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 31 CYS HB2 36 SER HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 511, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 31 CYS HB2 37 LEU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 446, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 31 CYS HN 52 ILE QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 733, 734, 735,
&end
#
# 31 CYS HN 57 HIS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 441, 816, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 31 CYS HN 57 HIS HB2 6.79
&rst
ixpk= 0, nxpk= 0, iat= 441, 815, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, &end
#
# 31 CYS HN 58 GLN HN 6.12
&rst
ixpk= 0, nxpk= 0, iat= 441, 827, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 32 PRO HG3 31 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 456, 446, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HG3 31 CYS HB2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 456, 446, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 32 PRO HG2 31 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 446, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HG2 31 CYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 445, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HG3 31 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 456, 443, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HG2 31 CYS HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= 455, 443, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 32 PRO HD2 31 CYS HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 452, 446, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 32 PRO HD2 31 CYS HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 452, 445, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 32 PRO HD3 31 CYS HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 453, 446, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 32 PRO HD3 31 CYS HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 453, 445, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 32 PRO HD2 31 CYS HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= 452, 443, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 32 PRO HD3 31 CYS HA 3.64
&rst
ixpk= 0, nxpk= 0, iat= 453, 443, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 32 PRO HG3 32 PRO HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 456, 452, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 32 PRO HG3 33 PRO HD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 456, 466, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 32 PRO HG2 33 PRO HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 466, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HG3 34 GLU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 456, 479, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HG2 34 GLU HN 5.67
&rst
ixpk= 0, nxpk= 0, iat= 455, 479, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 32 PRO HG3 35 MET HB2 6.18
&rst
ixpk= 0, nxpk= 0, iat= 456, 498, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 32 PRO HG2 35 MET HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 498, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HG3 35 MET HG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 456, 501, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 32 PRO HG3 35 MET HG3 5.53
&rst
ixpk= 0, nxpk= 0, iat= 456, 502, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 32 PRO HG2 35 MET HG2 5.54
&rst
ixpk= 0, nxpk= 0, iat= 455, 501, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 32 PRO HG2 35 MET HG3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 455, 502, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 32 PRO HD2 35 MET HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 452, 502, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 32 PRO HD3 35 MET HG2 6.47
&rst
ixpk= 0, nxpk= 0, iat= 453, 501, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 32 PRO HD3 35 MET HG3 5.54
&rst
ixpk= 0, nxpk= 0, iat= 453, 502, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 32 PRO HG3 35 MET HA 6.24
&rst
ixpk= 0, nxpk= 0, iat= 456, 496, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 32 PRO HG2 35 MET HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HD2 36 SER HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 452, 513, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 32 PRO HD3 36 SER HA 5.79
&rst
ixpk= 0, nxpk= 0, iat= 453, 513, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 35 MET QB 36 SER HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 498, 499,
&end
#
# 32 PRO HG3 52 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 740, 741, 742,
&end
#
# 32 PRO HG3 52 ILE QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 740, 741, 742,
&end
#
# 32 PRO HG2 52 ILE QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 740, 741, 742,
&end
#
# 32 PRO HG3 52 ILE QG2 6.60
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 733, 734, 735,
&end
#
# 32 PRO HG2 52 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 733, 734, 735,
&end
#
# 32 PRO HG2 52 ILE HG13 7.00
&rst
ixpk= 0, nxpk= 0, iat= 455, 738, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 PRO HD2 52 ILE QD1 5.75
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 740, 741, 742,
&end
#
# 32 PRO HD3 52 ILE QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 740, 741, 742,
&end
#
# 32 PRO HD2 52 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 733, 734, 735,
&end
#
# 32 PRO HD3 52 ILE QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 733, 734, 735,
&end
#
# 33 PRO HA 34 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 475, 481, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 PRO HG2 34 GLU HA 5.66
&rst
ixpk= 0, nxpk= 0, iat= 469, 481, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 33 PRO HD2 34 GLU HG2 6.48
&rst
ixpk= 0, nxpk= 0, iat= 466, 486, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 33 PRO HD2 34 GLU HG3 6.44
&rst
ixpk= 0, nxpk= 0, iat= 466, 487, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 33 PRO HD2 34 GLU HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 466, 484, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 33 PRO HB3 34 GLU HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 473, 481, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 33 PRO HB2 34 GLU HA 6.09
&rst
ixpk= 0, nxpk= 0, iat= 472, 481, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 34 GLU HN 33 PRO HG2 6.55
&rst
ixpk= 0, nxpk= 0, iat= 479, 469, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 34 GLU HN 33 PRO HD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 479, 466, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 34 GLU HN 33 PRO HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 479, 472, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 34 GLU HN 33 PRO HB3 5.60
&rst
ixpk= 0, nxpk= 0, iat= 479, 473, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 34 GLU HN 33 PRO HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 479, 475, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 34 GLU HB2 35 MET HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 483, 502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 34 GLU HB3 35 MET HG2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 34 GLU HG2 35 MET HA 6.67
&rst
ixpk= 0, nxpk= 0, iat= 486, 496, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 34 GLU HB2 35 MET HA 6.20
&rst
ixpk= 0, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 34 GLU HN 35 MET HB2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 479, 498, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 34 GLU HN 35 MET HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 479, 499, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 35 MET HB3 31 CYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 499, 445, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 MET HB3 31 CYS HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 499, 443, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 35 MET HB2 31 CYS HA 6.62
&rst
ixpk= 0, nxpk= 0, iat= 498, 443, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 35 MET HB2 31 CYS HB2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 498, 446, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 35 MET HB2 31 CYS HB3 5.91
&rst
ixpk= 0, nxpk= 0, iat= 498, 445, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 35 MET HB3 32 PRO HD3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 499, 453, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 35 MET HB2 32 PRO HD2 6.45
&rst
ixpk= 0, nxpk= 0, iat= 498, 452, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 35 MET HB3 32 PRO HD3 6.71
&rst
ixpk= 0, nxpk= 0, iat= 499, 453, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 35 MET HB2 32 PRO HD3 5.77
&rst
ixpk= 0, nxpk= 0, iat= 498, 453, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 35 MET HN 32 PRO HD3 6.21
&rst
ixpk= 0, nxpk= 0, iat= 494, 453, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 35 MET HN 32 PRO HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 452, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 MET HN 33 PRO HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 494, 469, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 MET HN 33 PRO HD2 5.56
&rst
ixpk= 0, nxpk= 0, iat= 494, 466, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 35 MET HB2 34 GLU HG2 6.07
&rst
ixpk= 0, nxpk= 0, iat= 498, 486, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 35 MET HB2 34 GLU HG3 5.86
&rst
ixpk= 0, nxpk= 0, iat= 498, 487, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 35 MET HB2 34 GLU HB2 6.63
&rst
ixpk= 0, nxpk= 0, iat= 498, 483, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end
#
# 35 MET HB2 34 GLU HB3 6.31
&rst
ixpk= 0, nxpk= 0, iat= 498, 484, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 35 MET HN 34 GLU HG3 4.98
&rst
ixpk= 0, nxpk= 0, iat= 494, 487, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 35 MET HN 34 GLU HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= 494, 481, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 35 MET HN 34 GLU HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 494, 479, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 35 MET HN 34 GLU HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 35 MET HN 34 GLU HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 494, 483, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 35 MET HB3 36 SER HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 499, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 MET HB2 36 SER HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 MET HN 36 SER HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 494, 513, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 35 MET HB2 36 SER HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 498, 511, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 35 MET HN 36 SER HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 494, 511, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 35 MET HB3 52 ILE QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 733, 734, 735,
&end
#
# 35 MET HB3 52 ILE HG13 6.25
&rst
ixpk= 0, nxpk= 0, iat= 499, 738, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 35 MET HB2 52 ILE QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 733, 734, 735,
&end
#
# 35 MET HB2 52 ILE QD1 6.34
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 740, 741, 742,
&end
#
# 35 MET HB3 52 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 499, 731, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 MET HB2 52 ILE HB 6.03
&rst
ixpk= 0, nxpk= 0, iat= 498, 731, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 36 SER HB2 28 CYS HB3 6.72
&rst
ixpk= 0, nxpk= 0, iat= 515, 406, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 36 SER HB2 28 CYS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 515, 402, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 36 SER HB3 31 CYS HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 516, 446, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 36 SER HB3 31 CYS HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 516, 445, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 36 SER HB3 33 PRO HA 6.14
&rst
ixpk= 0, nxpk= 0, iat= 516, 475, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 36 SER HN 34 GLU HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 487, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 36 SER HB3 34 GLU HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= 516, 481, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 36 SER HN 34 GLU HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 511, 481, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 36 SER HA 35 MET HA 6.97
&rst
ixpk= 0, nxpk= 0, iat= 513, 496, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, &end
#
# 36 SER HA 35 MET HG2 6.11
&rst
ixpk= 0, nxpk= 0, iat= 513, 501, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 36 SER HN 35 MET HG3 5.55
&rst
ixpk= 0, nxpk= 0, iat= 511, 502, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 36 SER HB3 35 MET HN 6.01
&rst
ixpk= 0, nxpk= 0, iat= 516, 494, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 36 SER HB2 35 MET HN 6.66
&rst
ixpk= 0, nxpk= 0, iat= 515, 494, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 36 SER HN 35 MET HG2 5.81
&rst
ixpk= 0, nxpk= 0, iat= 511, 501, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 36 SER HN 35 MET HA 3.77
&rst
ixpk= 0, nxpk= 0, iat= 511, 496, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 36 SER HB3 37 LEU HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 516, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 37 LEU HB2 27 HIS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 526, 387, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 37 LEU HG 28 CYS HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 529, 407, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 37 LEU HG 28 CYS HB3 5.71
&rst
ixpk= 0, nxpk= 0, iat= 529, 406, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 37 LEU QD1 28 CYS HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD1 28 CYS HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD2 28 CYS HB2 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD2 28 CYS HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 535, 536, 537,
&end
#
# 37 LEU HB2 28 CYS HA 6.51
&rst
ixpk= 0, nxpk= 0, iat= 526, 404, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, &end
#
# 37 LEU HB3 28 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 527, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 37 LEU HB2 28 CYS HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 526, 407, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 LEU HB2 28 CYS HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 526, 406, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 37 LEU HB3 28 CYS HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 527, 407, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 37 LEU HB3 28 CYS HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 527, 406, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 37 LEU HA 28 CYS HN 6.86
&rst
ixpk= 0, nxpk= 0, iat= 524, 402, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, &end
#
# 37 LEU HB2 31 CYS HB3 6.98
&rst
ixpk= 0, nxpk= 0, iat= 526, 445, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 37 LEU HG 31 CYS HB2 5.99
&rst
ixpk= 0, nxpk= 0, iat= 529, 446, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 37 LEU HB2 31 CYS HB2 5.91
&rst
ixpk= 0, nxpk= 0, iat= 526, 446, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 37 LEU HB3 31 CYS HB2 6.04
&rst
ixpk= 0, nxpk= 0, iat= 527, 446, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 37 LEU HA 35 MET HG2 6.71
&rst
ixpk= 0, nxpk= 0, iat= 524, 501, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 37 LEU HG 35 MET HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 529, 501, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 37 LEU HG 35 MET QE 5.65
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 505, 506, 507,
&end
#
# 37 LEU QD1 35 MET HG2 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD1 35 MET HG3 6.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD1 35 MET QE 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 531, 532, 533,
igr2= 505, 506, 507,
&end
#
# 37 LEU QD2 35 MET QE 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr1= 535, 536, 537,
igr2= 505, 506, 507,
&end
#
# 37 LEU HG 36 SER HA 6.22
&rst
ixpk= 0, nxpk= 0, iat= 529, 513, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, &end
#
# 37 LEU QD1 36 SER HA 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 531, 532, 533,
&end
#
# 37 LEU HB2 36 SER HA 6.73
&rst
ixpk= 0, nxpk= 0, iat= 526, 513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, &end
#
# 37 LEU HB3 36 SER HA 6.22
&rst
ixpk= 0, nxpk= 0, iat= 527, 513, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, &end
#
# 37 LEU HN 36 SER HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 522, 511, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 37 LEU HN 36 SER HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= 522, 513, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 37 LEU QD1 36 SER HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 531, 532, 533,
&end
#
# 37 LEU HA 38 ASP HB3 6.49
&rst
ixpk= 0, nxpk= 0, iat= 524, 546, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 37 LEU HA 38 ASP HA 6.31
&rst
ixpk= 0, nxpk= 0, iat= 524, 543, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 37 LEU QD1 39 PHE QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 531, 532, 533,
igr2= 563, 567,
&end
#
# 37 LEU QD2 39 PHE QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 535, 536, 537,
igr2= 563, 567,
&end
#
# 37 LEU QD1 48 HIS HD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD2 48 HIS HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 50 THR QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 531, 532, 533,
igr2= 707, 708, 709,
&end
#
# 37 LEU QD2 50 THR QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 535, 536, 537,
igr2= 707, 708, 709,
&end
#
# 37 LEU QD2 50 THR HN 6.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 53 HIS HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD2 53 HIS HB2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 53 HIS HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD2 53 HIS HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 53 HIS HA 6.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD1 53 HIS HN 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD1 53 HIS HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 531, 532, 533,
&end
#
# 37 LEU QD2 53 HIS HD2 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD2 53 HIS HN 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 59 LEU QD1 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1= 531, 532, 533,
igr2= 853, 854, 855,
&end
#
# 37 LEU QD2 59 LEU QD1 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 535, 536, 537,
igr2= 853, 854, 855,
&end
#
# 38 ASP HN 13 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 541, 179, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 ASP HN 14 ASP HB3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 541, 192, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 38 ASP HN 14 ASP HB2 6.07
&rst
ixpk= 0, nxpk= 0, iat= 541, 191, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 38 ASP HA 21 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 291, 292, 293,
&end
#
# 38 ASP HA 26 TRP HB3 6.50
&rst
ixpk= 0, nxpk= 0, iat= 543, 366, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 38 ASP HA 26 TRP HN 5.82
&rst
ixpk= 0, nxpk= 0, iat= 543, 361, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 38 ASP HB2 27 HIS HA 6.75
&rst
ixpk= 0, nxpk= 0, iat= 545, 387, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 38 ASP HB3 27 HIS HA 6.33
&rst
ixpk= 0, nxpk= 0, iat= 546, 387, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 38 ASP HA 27 HIS HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= 543, 387, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 38 ASP HA 27 HIS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 543, 390, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 ASP HA 27 HIS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 543, 389, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 ASP HN 27 HIS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 541, 387, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 ASP HA 27 HIS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 543, 385, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 ASP HN 28 CYS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 541, 402, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 ASP HA 28 CYS HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 543, 402, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 38 ASP HN 36 SER HA 6.03
&rst
ixpk= 0, nxpk= 0, iat= 541, 513, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 38 ASP HN 37 LEU HG 5.63
&rst
ixpk= 0, nxpk= 0, iat= 541, 529, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 38 ASP HN 37 LEU HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 541, 526, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 38 ASP HN 37 LEU QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 531, 532, 533,
&end
#
# 38 ASP HN 37 LEU HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 541, 527, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 38 ASP HN 37 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 535, 536, 537,
&end
#
# 38 ASP HN 37 LEU HA 3.42
&rst
ixpk= 0, nxpk= 0, iat= 541, 524, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 38 ASP HN 37 LEU HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= 541, 522, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 38 ASP HA 39 PHE HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 543, 558, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 ASP HA 39 PHE HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 543, 553, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 38 ASP HN 39 PHE HN 5.84
&rst
ixpk= 0, nxpk= 0, iat= 541, 553, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 38 ASP HN 39 PHE QE 6.64
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr2= 563, 567,
&end
#
# 38 ASP HN 39 PHE HA 6.96
&rst
ixpk= 0, nxpk= 0, iat= 541, 555, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 38 ASP HA 59 LEU QD1 6.49
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 853, 854, 855,
&end
#
# 39 PHE QE 15 ASN HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 563, 567,
&end
#
# 39 PHE QD 15 ASN HA 6.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 561, 569,
&end
#
# 39 PHE HN 25 ARG HA 6.70
&rst
ixpk= 0, nxpk= 0, iat= 553, 339, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 39 PHE HA 26 TRP HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 555, 366, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 39 PHE HA 26 TRP HB2 6.55
&rst
ixpk= 0, nxpk= 0, iat= 555, 365, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 39 PHE HB2 26 TRP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 557, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 39 PHE HB3 26 TRP HN 6.40
&rst
ixpk= 0, nxpk= 0, iat= 558, 361, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 39 PHE HB3 26 TRP HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 558, 365, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 39 PHE HB2 26 TRP HB2 5.73
&rst
ixpk= 0, nxpk= 0, iat= 557, 365, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 39 PHE HB3 26 TRP HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 558, 361, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 39 PHE HN 26 TRP HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 553, 361, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 39 PHE HN 26 TRP HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 553, 366, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 39 PHE HN 26 TRP HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 553, 365, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 39 PHE HB2 26 TRP HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 557, 361, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 39 PHE HN 26 TRP HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= 553, 363, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 39 PHE HN 27 HIS HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= 553, 387, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 39 PHE HN 28 CYS HN 6.39
&rst
ixpk= 0, nxpk= 0, iat= 553, 402, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 39 PHE HN 38 ASP HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 553, 546, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 39 PHE HN 38 ASP HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 553, 545, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 39 PHE HA 40 CYS HA 6.78
&rst
ixpk= 0, nxpk= 0, iat= 555, 575, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 39 PHE HN 40 CYS HA 5.52
&rst
ixpk= 0, nxpk= 0, iat= 553, 575, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 39 PHE HB3 43 CYS HA 6.40
&rst
ixpk= 0, nxpk= 0, iat= 558, 608, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 39 PHE HB3 43 CYS HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 558, 606, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 39 PHE HB2 43 CYS HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= 557, 606, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 39 PHE HB3 44 SER HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 558, 618, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 39 PHE HB2 44 SER HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= 557, 621, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 39 PHE QD 44 SER HN 6.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 561, 569,
&end
#
# 39 PHE HB2 44 SER HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 557, 616, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 39 PHE HB3 44 SER HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 558, 616, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 39 PHE QE 48 HIS HB3 6.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 563, 567,
&end
#
# 39 PHE QE 48 HIS HB2 6.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 563, 567,
&end
#
# 39 PHE HB3 59 LEU QD1 5.52
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 853, 854, 855,
&end
#
# 39 PHE HB2 59 LEU QD1 5.98
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 853, 854, 855,
&end
#
# 39 PHE QD 59 LEU QD1 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 561, 569,
igr2= 853, 854, 855,
&end
#
# 39 PHE HA 59 LEU QD1 6.09
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 853, 854, 855,
&end
#
# 39 PHE HN 59 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 853, 854, 855,
&end
#
# 40 CYS HB2 13 CYS HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 578, 182, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 40 CYS HB3 13 CYS HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 577, 182, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 40 CYS HB2 13 CYS HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 578, 181, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 40 CYS HB3 13 CYS HB3 6.76
&rst
ixpk= 0, nxpk= 0, iat= 577, 181, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, &end
#
# 40 CYS HN 13 CYS HB3 5.52
&rst
ixpk= 0, nxpk= 0, iat= 573, 181, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 40 CYS HN 13 CYS HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 573, 182, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 40 CYS HN 15 ASN HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 573, 203, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 40 CYS HN 15 ASN HB3 6.16
&rst
ixpk= 0, nxpk= 0, iat= 573, 204, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 40 CYS HB2 18 ILE QD1 6.80
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2= 243, 244, 245,
&end
#
# 40 CYS HB3 18 ILE QD1 6.87
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr2= 243, 244, 245,
&end
#
# 40 CYS HB2 18 ILE QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 236, 237, 238,
&end
#
# 40 CYS HB3 18 ILE QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 236, 237, 238,
&end
#
# 40 CYS HB2 18 ILE HN 6.54
&rst
ixpk= 0, nxpk= 0, iat= 578, 230, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end
#
# 40 CYS HB2 18 ILE HB 6.92
&rst
ixpk= 0, nxpk= 0, iat= 578, 234, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, &end
#
# 40 CYS HB3 18 ILE HN 6.47
&rst
ixpk= 0, nxpk= 0, iat= 577, 230, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 40 CYS HB2 21 ILE HA 6.29
&rst
ixpk= 0, nxpk= 0, iat= 578, 280, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 40 CYS HB3 21 ILE HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 577, 280, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 CYS HB2 21 ILE HG12 5.24
&rst
ixpk= 0, nxpk= 0, iat= 578, 288, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 40 CYS HB2 21 ILE HG13 6.10
&rst
ixpk= 0, nxpk= 0, iat= 578, 289, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 40 CYS HB3 21 ILE HG12 6.21
&rst
ixpk= 0, nxpk= 0, iat= 577, 288, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 40 CYS HB3 21 ILE HG13 7.00
&rst
ixpk= 0, nxpk= 0, iat= 577, 289, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 CYS HB2 21 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 291, 292, 293,
&end
#
# 40 CYS HB2 21 ILE QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 284, 285, 286,
&end
#
# 40 CYS HB3 21 ILE QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 284, 285, 286,
&end
#
# 40 CYS HB2 22 GLN HN 6.21
&rst
ixpk= 0, nxpk= 0, iat= 578, 297, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 40 CYS HA 25 ARG HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 575, 339, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 40 CYS HA 26 TRP HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 575, 366, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 40 CYS HA 26 TRP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 575, 365, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 CYS HA 26 TRP HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 575, 361, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 40 CYS HB2 39 PHE HA 6.84
&rst
ixpk= 0, nxpk= 0, iat= 578, 555, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, &end
#
# 40 CYS HN 39 PHE QD 5.09
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 561, 569,
&end
#
# 40 CYS HN 39 PHE HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= 573, 558, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 40 CYS HN 39 PHE HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= 573, 555, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 40 CYS HN 39 PHE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 573, 553, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 40 CYS HN 39 PHE HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 573, 557, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 40 CYS HA 41 ASP HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= 575, 585, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 40 CYS HA 41 ASP HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 40 CYS HB2 41 ASP HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 40 CYS HB3 41 ASP HA 6.33
&rst
ixpk= 0, nxpk= 0, iat= 577, 585, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, &end
#
# 40 CYS HB2 41 ASP HB3 6.67
&rst
ixpk= 0, nxpk= 0, iat= 578, 588, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 40 CYS HB3 41 ASP HB2 6.41
&rst
ixpk= 0, nxpk= 0, iat= 577, 587, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 40 CYS HB3 41 ASP HB3 6.62
&rst
ixpk= 0, nxpk= 0, iat= 577, 588, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 40 CYS HN 41 ASP HN 6.03
&rst
ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 40 CYS HB3 41 ASP HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 577, 583, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 40 CYS HB2 42 SER HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 578, 599, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 CYS HN 42 SER HN 6.39
&rst
ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, &end
#
# 40 CYS HB3 42 SER HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 577, 595, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 40 CYS HB2 42 SER HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 578, 595, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 40 CYS HB2 43 CYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 578, 610, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 CYS HB2 43 CYS HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 578, 611, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 40 CYS HB3 43 CYS HB3 6.15
&rst
ixpk= 0, nxpk= 0, iat= 577, 610, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 40 CYS HB3 43 CYS HB2 6.84
&rst
ixpk= 0, nxpk= 0, iat= 577, 611, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, &end
#
# 40 CYS HN 43 CYS HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= 573, 610, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 40 CYS HN 43 CYS HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 573, 611, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 40 CYS HN 43 CYS HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 573, 606, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 40 CYS HB3 43 CYS HN 5.83
&rst
ixpk= 0, nxpk= 0, iat= 577, 606, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 40 CYS HB2 43 CYS HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 578, 606, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 40 CYS HN 44 SER HN 6.21
&rst
ixpk= 0, nxpk= 0, iat= 573, 616, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 41 ASP HN 24 VAL QG2 6.21
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr2= 331, 332, 333,
&end
#
# 41 ASP HN 24 VAL HB 6.10
&rst
ixpk= 0, nxpk= 0, iat= 583, 325, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 41 ASP HN 25 ARG HA 6.47
&rst
ixpk= 0, nxpk= 0, iat= 583, 339, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 41 ASP HN 26 TRP HN 6.87
&rst
ixpk= 0, nxpk= 0, iat= 583, 361, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, &end
#
# 41 ASP HN 26 TRP HE1 6.19
&rst
ixpk= 0, nxpk= 0, iat= 583, 371, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 41 ASP HN 40 CYS HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 583, 575, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 41 ASP HA 42 SER HA 6.63
&rst
ixpk= 0, nxpk= 0, iat= 585, 597, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, &end
#
# 41 ASP HN 42 SER HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 41 ASP HN 43 CYS HN 5.77
&rst
ixpk= 0, nxpk= 0, iat= 583, 606, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 41 ASP HN 44 SER HB3 6.43
&rst
ixpk= 0, nxpk= 0, iat= 583, 621, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, &end
#
# 42 SER HN 40 CYS HA 6.49
&rst
ixpk= 0, nxpk= 0, iat= 595, 575, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 42 SER HN 41 ASP HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 595, 588, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 42 SER HA 41 ASP HB2 6.48
&rst
ixpk= 0, nxpk= 0, iat= 597, 587, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 42 SER HA 41 ASP HB3 6.16
&rst
ixpk= 0, nxpk= 0, iat= 597, 588, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 42 SER HB2 41 ASP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 587, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 42 SER HB2 41 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 588, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 42 SER HB3 41 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 600, 588, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 42 SER HN 41 ASP HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 595, 587, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 42 SER HN 41 ASP HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 595, 585, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 42 SER HB2 43 CYS HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= 599, 608, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 42 SER HB3 43 CYS HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 600, 608, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 42 SER HN 43 CYS HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 595, 606, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 42 SER HN 43 CYS HB3 6.30
&rst
ixpk= 0, nxpk= 0, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 42 SER HN 44 SER HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 595, 616, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 43 CYS HB2 15 ASN HA 6.71
&rst
ixpk= 0, nxpk= 0, iat= 611, 201, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 43 CYS HB2 15 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 CYS HB3 15 ASN HD21 6.06
&rst
ixpk= 0, nxpk= 0, iat= 610, 208, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 43 CYS HB2 15 ASN HD22 5.51
&rst
ixpk= 0, nxpk= 0, iat= 611, 209, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 43 CYS HB3 15 ASN HD22 6.12
&rst
ixpk= 0, nxpk= 0, iat= 610, 209, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 43 CYS HB3 39 PHE HA 6.04
&rst
ixpk= 0, nxpk= 0, iat= 610, 555, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 43 CYS HB2 39 PHE HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= 611, 555, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 43 CYS HB3 39 PHE HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 610, 558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 43 CYS HB2 39 PHE HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 611, 558, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 43 CYS HB3 39 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 610, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 CYS HB2 39 PHE HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 611, 557, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 43 CYS HB2 39 PHE HB2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 611, 557, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 43 CYS HB3 39 PHE QD 6.30
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2= 561, 569,
&end
#
# 43 CYS HB2 39 PHE QD 6.08
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2= 561, 569,
&end
#
# 43 CYS HN 40 CYS HA 6.23
&rst
ixpk= 0, nxpk= 0, iat= 606, 575, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 43 CYS HN 41 ASP HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 606, 585, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 43 CYS HN 42 SER HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 606, 600, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 43 CYS HB2 42 SER HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 599, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 43 CYS HB2 42 SER HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 600, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 43 CYS HN 42 SER HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 606, 597, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 43 CYS HN 42 SER HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 606, 599, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 43 CYS HB3 44 SER HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 43 CYS HN 44 SER HB2 6.78
&rst
ixpk= 0, nxpk= 0, iat= 606, 620, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, &end
#
# 43 CYS HN 44 SER HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 606, 616, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 43 CYS HN 44 SER HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 606, 621, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 43 CYS HB2 44 SER HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 43 CYS HN 44 SER HA 6.05
&rst
ixpk= 0, nxpk= 0, iat= 606, 618, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 43 CYS HN 45 ASP HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 606, 627, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 43 CYS HB3 46 CYS HB3 6.54
&rst
ixpk= 0, nxpk= 0, iat= 610, 644, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end
#
# 43 CYS HB2 46 CYS HB3 6.91
&rst
ixpk= 0, nxpk= 0, iat= 611, 644, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, &end
#
# 43 CYS HB3 46 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 610, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 43 CYS HB2 46 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 43 CYS HB2 46 CYS HN 6.27
&rst
ixpk= 0, nxpk= 0, iat= 611, 639, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 43 CYS HB3 46 CYS HN 5.97
&rst
ixpk= 0, nxpk= 0, iat= 610, 639, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 44 SER HN 26 TRP HE1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 616, 371, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 44 SER HN 40 CYS HA 6.48
&rst
ixpk= 0, nxpk= 0, iat= 616, 575, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 44 SER HB2 41 ASP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 620, 587, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 44 SER HN 41 ASP HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 616, 585, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 44 SER HN 42 SER HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 616, 597, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 44 SER HN 42 SER HB3 6.19
&rst
ixpk= 0, nxpk= 0, iat= 616, 600, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 44 SER HN 42 SER HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 599, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 44 SER HN 43 CYS HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 616, 608, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 44 SER HN 46 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 44 SER HN 46 CYS HB3 6.54
&rst
ixpk= 0, nxpk= 0, iat= 616, 644, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04, &end
#
# 45 ASP HN 43 CYS HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 627, 608, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 45 ASP HB3 43 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 632, 608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 45 ASP HN 44 SER HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 627, 620, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 45 ASP HN 44 SER HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 627, 621, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 45 ASP HN 44 SER HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 627, 616, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 45 ASP HB3 46 CYS HA 5.59
&rst
ixpk= 0, nxpk= 0, iat= 632, 641, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 45 ASP HA 46 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 641, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 45 ASP HN 46 CYS HB3 5.99
&rst
ixpk= 0, nxpk= 0, iat= 627, 644, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 45 ASP HN 46 CYS HB2 6.30
&rst
ixpk= 0, nxpk= 0, iat= 627, 643, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 46 CYS HN 43 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 639, 608, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 46 CYS HB3 43 CYS HA 5.69
&rst
ixpk= 0, nxpk= 0, iat= 644, 608, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 46 CYS HB2 43 CYS HA 6.72
&rst
ixpk= 0, nxpk= 0, iat= 643, 608, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 46 CYS HN 44 SER HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 639, 621, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 46 CYS HN 44 SER HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 639, 616, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 46 CYS HN 45 ASP HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 639, 632, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 46 CYS HN 45 ASP HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 639, 629, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 46 CYS HN 45 ASP HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 639, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 46 CYS HN 47 LEU HB3 6.56
&rst
ixpk= 0, nxpk= 0, iat= 639, 655, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 46 CYS HN 47 LEU HB2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 639, 654, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 46 CYS HN 47 LEU HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 639, 650, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 46 CYS HN 59 LEU QD1 6.32
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr2= 853, 854, 855,
&end
#
# 47 LEU HB2 46 CYS HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= 654, 641, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 47 LEU HB3 46 CYS HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 655, 641, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 47 LEU HN 46 CYS HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 650, 641, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 47 LEU QD1 46 CYS HA 6.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1= 659, 660, 661,
&end
#
# 47 LEU HN 46 CYS HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 650, 643, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 47 LEU HN 46 CYS HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 650, 644, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 47 LEU QD1 46 CYS HN 6.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1= 659, 660, 661,
&end
#
# 47 LEU HA 48 HIS HB3 5.91
&rst
ixpk= 0, nxpk= 0, iat= 652, 674, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 47 LEU HA 48 HIS HB2 5.88
&rst
ixpk= 0, nxpk= 0, iat= 652, 673, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 47 LEU HA 48 HIS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 652, 671, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 47 LEU HN 48 HIS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 650, 673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 47 LEU HN 48 HIS HA 6.16
&rst
ixpk= 0, nxpk= 0, iat= 650, 671, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 47 LEU QD1 49 GLU HG3 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 659, 660, 661,
&end
#
# 47 LEU QD1 55 GLU HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 659, 660, 661,
&end
#
# 47 LEU QD1 55 GLU HB3 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 659, 660, 661,
&end
#
# 47 LEU QD1 55 GLU HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 659, 660, 661,
&end
#
# 47 LEU QD1 55 GLU HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 659, 660, 661,
&end
#
# 47 LEU QD1 56 ASP HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 659, 660, 661,
&end
#
# 47 LEU QD1 59 LEU QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 659, 660, 661,
igr2= 853, 854, 855,
&end
#
# 48 HIS HN 39 PHE QE 6.73
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 563, 567,
&end
#
# 48 HIS HN 46 CYS HB2 6.89
&rst
ixpk= 0, nxpk= 0, iat= 669, 643, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 48 HIS HN 46 CYS HB3 6.45
&rst
ixpk= 0, nxpk= 0, iat= 669, 644, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, &end
#
# 48 HIS HN 47 LEU HA 3.25
&rst
ixpk= 0, nxpk= 0, iat= 669, 652, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 48 HIS HA 47 LEU HG 5.25
&rst
ixpk= 0, nxpk= 0, iat= 671, 657, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 48 HIS HA 47 LEU HG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 671, 657, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 48 HIS HA 47 LEU HB3 6.62
&rst
ixpk= 0, nxpk= 0, iat= 671, 655, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 48 HIS HN 47 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 669, 650, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 48 HIS HN 47 LEU HG 4.41
&rst
ixpk= 0, nxpk= 0, iat= 669, 657, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 48 HIS HN 47 LEU HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 669, 655, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 48 HIS HN 47 LEU QD1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 659, 660, 661,
&end
#
# 48 HIS HA 49 GLU HG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 671, 693, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 48 HIS HA 49 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 671, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 HIS HA 49 GLU HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 671, 691, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 48 HIS HA 49 GLU HB2 5.51
&rst
ixpk= 0, nxpk= 0, iat= 671, 690, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 48 HIS HN 49 GLU HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 694, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 48 HIS HN 49 GLU HG2 6.95
&rst
ixpk= 0, nxpk= 0, iat= 669, 693, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45, &end
#
# 48 HIS HD2 50 THR QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 707, 708, 709,
&end
#
# 48 HIS HD2 50 THR HN 6.89
&rst
ixpk= 0, nxpk= 0, iat= 682, 701, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, &end
#
# 48 HIS HN 53 HIS HD2 6.66
&rst
ixpk= 0, nxpk= 0, iat= 669, 758, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 48 HIS HN 59 LEU QD1 6.04
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 853, 854, 855,
&end
#
# 49 GLU HG2 47 LEU HG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 693, 657, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 49 GLU HG3 47 LEU HG 6.65
&rst
ixpk= 0, nxpk= 0, iat= 694, 657, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15, &end
#
# 49 GLU HN 48 HIS HA 3.09
&rst
ixpk= 0, nxpk= 0, iat= 686, 671, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 49 GLU HA 48 HIS HB3 5.89
&rst
ixpk= 0, nxpk= 0, iat= 688, 674, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 49 GLU HA 48 HIS HB2 6.20
&rst
ixpk= 0, nxpk= 0, iat= 688, 673, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 49 GLU HN 48 HIS HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 686, 673, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 49 GLU HN 48 HIS HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 686, 669, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 49 GLU HN 48 HIS HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 686, 682, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 49 GLU HN 48 HIS HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 686, 674, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 49 GLU HN 50 THR QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 707, 708, 709,
&end
#
# 49 GLU HN 50 THR HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 686, 703, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 49 GLU HN 50 THR HN 5.56
&rst
ixpk= 0, nxpk= 0, iat= 686, 701, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 49 GLU HA 53 HIS HD2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 688, 758, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 49 GLU HN 53 HIS HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 686, 758, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 49 GLU HB3 54 LYS HD2 5.56
&rst
ixpk= 0, nxpk= 0, iat= 691, 772, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 49 GLU HB2 54 LYS HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 772, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 49 GLU HB3 54 LYS HD3 6.08
&rst
ixpk= 0, nxpk= 0, iat= 691, 773, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 49 GLU HB2 54 LYS HD3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 773, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 49 GLU HA 54 LYS HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= 688, 764, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 49 GLU HB3 54 LYS HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 691, 764, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 49 GLU HB2 54 LYS HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 690, 764, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 50 THR QG2 48 HIS HA 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 707, 708, 709,
&end
#
# 50 THR QG2 48 HIS HB3 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 707, 708, 709,
&end
#
# 50 THR HA 49 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 703, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 THR HA 49 GLU HB3 6.68
&rst
ixpk= 0, nxpk= 0, iat= 703, 691, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, &end
#
# 50 THR HA 49 GLU HB2 6.40
&rst
ixpk= 0, nxpk= 0, iat= 703, 690, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 50 THR QG2 49 GLU HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 707, 708, 709,
&end
#
# 50 THR HN 49 GLU HA 3.54
&rst
ixpk= 0, nxpk= 0, iat= 701, 688, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 50 THR HN 49 GLU HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 701, 690, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 50 THR HN 49 GLU HG3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 701, 694, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 50 THR HN 49 GLU HG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 701, 693, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 50 THR HN 49 GLU HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 701, 691, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 50 THR HA 51 ASP HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 703, 717, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 50 THR HN 51 ASP HN 6.28
&rst
ixpk= 0, nxpk= 0, iat= 701, 715, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 50 THR HN 52 ILE HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 701, 727, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 50 THR QG2 53 HIS HD2 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 707, 708, 709,
&end
#
# 50 THR HN 53 HIS HB3 5.64
&rst
ixpk= 0, nxpk= 0, iat= 701, 751, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 50 THR HN 53 HIS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 701, 746, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 50 THR HN 53 HIS HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 701, 758, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 50 THR HN 53 HIS HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 701, 750, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 50 THR HN 53 HIS HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= 701, 748, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 50 THR HN 54 LYS HD3 6.16
&rst
ixpk= 0, nxpk= 0, iat= 701, 773, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 50 THR HN 54 LYS HE3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 776, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 50 THR HN 54 LYS HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 769, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 50 THR HN 54 LYS HE2 6.28
&rst
ixpk= 0, nxpk= 0, iat= 701, 775, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, &end
#
# 50 THR HN 54 LYS HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 772, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 50 THR HN 54 LYS HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 701, 764, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 51 ASP HN 50 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 707, 708, 709,
&end
#
# 51 ASP HN 50 THR HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= 715, 703, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 52 ILE QG2 31 CYS HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 733, 734, 735,
&end
#
# 52 ILE QG2 31 CYS HB3 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 733, 734, 735,
&end
#
# 52 ILE QG2 31 CYS HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 733, 734, 735,
&end
#
# 52 ILE QD1 31 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 740, 741, 742,
&end
#
# 52 ILE HB 31 CYS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 731, 446, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 ILE QD1 34 GLU HG2 6.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
igr1= 740, 741, 742,
&end
#
# 52 ILE QG2 35 MET HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 733, 734, 735,
&end
#
# 52 ILE QG2 35 MET HG3 6.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 733, 734, 735,
&end
#
# 52 ILE HG12 35 MET HG2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 737, 501, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 52 ILE HG12 35 MET HG3 6.77
&rst
ixpk= 0, nxpk= 0, iat= 737, 502, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, &end
#
# 52 ILE HG13 35 MET HG3 6.44
&rst
ixpk= 0, nxpk= 0, iat= 738, 502, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 52 ILE HG12 35 MET QE 6.04
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr2= 505, 506, 507,
&end
#
# 52 ILE HG13 35 MET QE 5.92
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2= 505, 506, 507,
&end
#
# 52 ILE QD1 35 MET QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 740, 741, 742,
igr2= 505, 506, 507,
&end
#
# 52 ILE QD1 35 MET HG2 6.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1= 740, 741, 742,
&end
#
# 52 ILE QD1 35 MET HG3 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 740, 741, 742,
&end
#
# 52 ILE HB 35 MET QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 505, 506, 507,
&end
#
# 52 ILE HN 50 THR HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= 727, 703, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 52 ILE HN 50 THR QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 707, 708, 709,
&end
#
# 52 ILE HG12 51 ASP HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 737, 720, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 52 ILE HG12 51 ASP HB2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 737, 719, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, &end
#
# 52 ILE HG13 51 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 738, 720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 ILE HG13 51 ASP HB2 6.06
&rst
ixpk= 0, nxpk= 0, iat= 738, 719, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, &end
#
# 52 ILE HG12 51 ASP HA 6.87
&rst
ixpk= 0, nxpk= 0, iat= 737, 717, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, &end
#
# 52 ILE HG13 51 ASP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 738, 717, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 ILE HG13 51 ASP HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 738, 715, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 ILE QD1 51 ASP HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 740, 741, 742,
&end
#
# 52 ILE HA 51 ASP HB3 6.66
&rst
ixpk= 0, nxpk= 0, iat= 729, 720, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 52 ILE HA 51 ASP HB2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 729, 719, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 52 ILE HB 51 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 731, 720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 ILE HB 51 ASP HB2 6.96
&rst
ixpk= 0, nxpk= 0, iat= 731, 719, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 52 ILE HA 51 ASP HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 729, 717, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 52 ILE HN 51 ASP HA 4.63
&rst
ixpk= 0, nxpk= 0, iat= 727, 717, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 52 ILE HN 51 ASP HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 727, 715, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 52 ILE HN 51 ASP HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 727, 720, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 52 ILE HN 51 ASP HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 727, 719, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 52 ILE QG2 53 HIS HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 733, 734, 735,
&end
#
# 52 ILE QG2 53 HIS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 733, 734, 735,
&end
#
# 52 ILE HB 53 HIS HA 6.70
&rst
ixpk= 0, nxpk= 0, iat= 731, 748, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 52 ILE HN 53 HIS HA 6.11
&rst
ixpk= 0, nxpk= 0, iat= 727, 748, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 52 ILE HN 53 HIS HN 3.34
&rst
ixpk= 0, nxpk= 0, iat= 727, 746, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 52 ILE QG2 54 LYS HG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 733, 734, 735,
&end
#
# 52 ILE QG2 54 LYS HG3 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 733, 734, 735,
&end
#
# 52 ILE HN 54 LYS HE3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 727, 776, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 52 ILE HA 54 LYS HG2 6.56
&rst
ixpk= 0, nxpk= 0, iat= 729, 769, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 52 ILE HA 54 LYS HG3 6.41
&rst
ixpk= 0, nxpk= 0, iat= 729, 770, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 52 ILE HN 54 LYS HE2 6.12
&rst
ixpk= 0, nxpk= 0, iat= 727, 775, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 53 HIS HB2 31 CYS HB2 5.68
&rst
ixpk= 0, nxpk= 0, iat= 750, 446, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 53 HIS HB2 31 CYS HB3 6.30
&rst
ixpk= 0, nxpk= 0, iat= 750, 445, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, &end
#
# 53 HIS HB3 31 CYS HB3 5.52
&rst
ixpk= 0, nxpk= 0, iat= 751, 445, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 53 HIS HA 31 CYS HA 6.34
&rst
ixpk= 0, nxpk= 0, iat= 748, 443, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 53 HIS HB2 35 MET HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 501, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 53 HIS HB3 35 MET HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 751, 501, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 53 HIS HB3 35 MET HG3 5.94
&rst
ixpk= 0, nxpk= 0, iat= 751, 502, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 53 HIS HN 35 MET QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 505, 506, 507,
&end
#
# 53 HIS HB3 37 LEU HB3 6.97
&rst
ixpk= 0, nxpk= 0, iat= 751, 527, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, &end
#
# 53 HIS HB2 37 LEU HG 5.45
&rst
ixpk= 0, nxpk= 0, iat= 750, 529, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 53 HIS HB3 37 LEU HG 5.68
&rst
ixpk= 0, nxpk= 0, iat= 751, 529, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 53 HIS HB3 48 HIS HB2 6.47
&rst
ixpk= 0, nxpk= 0, iat= 751, 673, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, &end
#
# 53 HIS HB2 49 GLU HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= 750, 688, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 53 HIS HA 49 GLU HA 6.36
&rst
ixpk= 0, nxpk= 0, iat= 748, 688, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 53 HIS HB2 50 THR QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 707, 708, 709,
&end
#
# 53 HIS HB3 50 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 707, 708, 709,
&end
#
# 53 HIS HN 50 THR QG2 6.58
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr2= 707, 708, 709,
&end
#
# 53 HIS HB2 50 THR HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 703, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 53 HIS HN 50 THR QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 707, 708, 709,
&end
#
# 53 HIS HN 51 ASP HB2 5.60
&rst
ixpk= 0, nxpk= 0, iat= 746, 719, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 53 HIS HN 51 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 746, 720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 53 HIS HN 51 ASP HN 5.91
&rst
ixpk= 0, nxpk= 0, iat= 746, 715, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 53 HIS HB2 52 ILE QG2 5.79
&rst
ixpk= 0, nxpk= 0, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2= 733, 734, 735,
&end
#
# 53 HIS HB3 52 ILE QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 733, 734, 735,
&end
#
# 53 HIS HB2 52 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 731, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 53 HIS HN 52 ILE HG13 5.86
&rst
ixpk= 0, nxpk= 0, iat= 746, 738, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 53 HIS HN 52 ILE HG12 5.23
&rst
ixpk= 0, nxpk= 0, iat= 746, 737, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 53 HIS HN 52 ILE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 746, 729, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 53 HIS HN 52 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 740, 741, 742,
&end
#
# 53 HIS HB3 52 ILE HN 5.63
&rst
ixpk= 0, nxpk= 0, iat= 751, 727, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 53 HIS HB2 52 ILE HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 750, 727, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 53 HIS HN 52 ILE HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 746, 731, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 53 HIS HN 54 LYS HE3 5.77
&rst
ixpk= 0, nxpk= 0, iat= 746, 776, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 53 HIS HA 54 LYS HD2 6.55
&rst
ixpk= 0, nxpk= 0, iat= 748, 772, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 53 HIS HA 54 LYS HA 6.31
&rst
ixpk= 0, nxpk= 0, iat= 748, 764, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 53 HIS HB2 54 LYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 750, 764, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 53 HIS HN 54 LYS HE2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 746, 775, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 53 HIS HN 54 LYS HG2 6.48
&rst
ixpk= 0, nxpk= 0, iat= 746, 769, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 53 HIS HA 57 HIS HE1 5.72
&rst
ixpk= 0, nxpk= 0, iat= 748, 820, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 54 LYS HE2 49 GLU HB3 5.87
&rst
ixpk= 0, nxpk= 0, iat= 775, 691, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 54 LYS HE2 49 GLU HB2 6.75
&rst
ixpk= 0, nxpk= 0, iat= 775, 690, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 54 LYS HE3 49 GLU HB3 6.35
&rst
ixpk= 0, nxpk= 0, iat= 776, 691, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 54 LYS HE3 49 GLU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 776, 690, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 LYS HB2 49 GLU HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 766, 693, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 LYS HB3 49 GLU HG2 5.53
&rst
ixpk= 0, nxpk= 0, iat= 767, 693, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 54 LYS HG3 49 GLU HB3 6.52
&rst
ixpk= 0, nxpk= 0, iat= 770, 691, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, &end
#
# 54 LYS HD2 49 GLU HG2 6.66
&rst
ixpk= 0, nxpk= 0, iat= 772, 693, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, &end
#
# 54 LYS HD2 49 GLU HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 694, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 LYS HD3 49 GLU HG2 5.88
&rst
ixpk= 0, nxpk= 0, iat= 773, 693, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 54 LYS HD3 49 GLU HG3 6.40
&rst
ixpk= 0, nxpk= 0, iat= 773, 694, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, &end
#
# 54 LYS HB3 49 GLU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 767, 688, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 LYS HA 49 GLU HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 764, 693, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 54 LYS HA 49 GLU HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 764, 694, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 54 LYS HE2 51 ASP HA 6.12
&rst
ixpk= 0, nxpk= 0, iat= 775, 717, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 54 LYS HE3 51 ASP HA 6.36
&rst
ixpk= 0, nxpk= 0, iat= 776, 717, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, &end
#
# 54 LYS HE2 52 ILE HA 5.82
&rst
ixpk= 0, nxpk= 0, iat= 775, 729, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 54 LYS HE3 52 ILE HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 776, 729, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 54 LYS HG2 53 HIS HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 769, 748, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 54 LYS HG3 53 HIS HA 5.85
&rst
ixpk= 0, nxpk= 0, iat= 770, 748, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 54 LYS HB2 55 GLU HA 5.51
&rst
ixpk= 0, nxpk= 0, iat= 766, 786, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 54 LYS HB3 55 GLU HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 767, 786, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 54 LYS HB3 57 HIS HB2 6.07
&rst
ixpk= 0, nxpk= 0, iat= 767, 815, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 55 GLU HB2 47 LEU HG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 788, 657, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 55 GLU HA 47 LEU HA 6.80
&rst
ixpk= 0, nxpk= 0, iat= 786, 652, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 55 GLU HB3 47 LEU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 789, 654, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 55 GLU HB3 47 LEU HB3 6.75
&rst
ixpk= 0, nxpk= 0, iat= 789, 655, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 55 GLU HB2 47 LEU HA 6.88
&rst
ixpk= 0, nxpk= 0, iat= 788, 652, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 55 GLU HN 47 LEU HG 5.41
&rst
ixpk= 0, nxpk= 0, iat= 784, 657, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 55 GLU HB2 49 GLU HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 788, 694, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 55 GLU HA 49 GLU HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 786, 693, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 55 GLU HA 49 GLU HG3 6.91
&rst
ixpk= 0, nxpk= 0, iat= 786, 694, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41, &end
#
# 55 GLU HN 49 GLU HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 784, 690, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 55 GLU HN 49 GLU HG3 6.01
&rst
ixpk= 0, nxpk= 0, iat= 784, 694, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 55 GLU HN 49 GLU HA 5.85
&rst
ixpk= 0, nxpk= 0, iat= 784, 688, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 55 GLU HN 49 GLU HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 784, 693, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 55 GLU HB3 54 LYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 789, 764, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 GLU HB2 54 LYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 788, 764, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 GLU HB2 54 LYS HB2 5.91
&rst
ixpk= 0, nxpk= 0, iat= 788, 766, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 55 GLU HA 54 LYS HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 786, 764, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 55 GLU HN 54 LYS HD2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 784, 772, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 55 GLU HN 54 LYS HD3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 784, 773, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 55 GLU HN 54 LYS HG3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 784, 770, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 55 GLU HN 54 LYS HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 784, 769, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 55 GLU HN 54 LYS HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 784, 766, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 55 GLU HN 54 LYS HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 784, 767, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 55 GLU HN 54 LYS HA 3.39
&rst
ixpk= 0, nxpk= 0, iat= 784, 764, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 55 GLU HB3 56 ASP HA 5.91
&rst
ixpk= 0, nxpk= 0, iat= 789, 801, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 55 GLU HB2 56 ASP HA 5.63
&rst
ixpk= 0, nxpk= 0, iat= 788, 801, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 55 GLU HN 56 ASP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 784, 804, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 GLU HN 56 ASP HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 784, 799, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 55 GLU HA 57 HIS HB2 6.96
&rst
ixpk= 0, nxpk= 0, iat= 786, 815, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46, &end
#
# 55 GLU HB2 57 HIS HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 788, 811, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 55 GLU HN 57 HIS HD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 784, 823, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 GLU HN 57 HIS HN 5.75
&rst
ixpk= 0, nxpk= 0, iat= 784, 811, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 55 GLU HB3 58 GLN HE21 7.00
&rst
ixpk= 0, nxpk= 0, iat= 789, 839, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 ASP HN 49 GLU HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 799, 693, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 56 ASP HN 49 GLU HG3 6.82
&rst
ixpk= 0, nxpk= 0, iat= 799, 694, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32, &end
#
# 56 ASP HB2 54 LYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 803, 767, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 ASP HB2 54 LYS HG3 6.72
&rst
ixpk= 0, nxpk= 0, iat= 803, 770, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 56 ASP HN 54 LYS HG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 799, 769, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 56 ASP HN 54 LYS HG3 5.43
&rst
ixpk= 0, nxpk= 0, iat= 799, 770, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 56 ASP HN 54 LYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 799, 767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ASP HN 54 LYS HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 799, 766, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 56 ASP HN 54 LYS HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 799, 764, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 56 ASP HA 55 GLU HA 6.29
&rst
ixpk= 0, nxpk= 0, iat= 801, 786, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 56 ASP HN 55 GLU HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 799, 786, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 56 ASP HN 55 GLU HB3 4.58
&rst
ixpk= 0, nxpk= 0, iat= 799, 789, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 56 ASP HN 55 GLU HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 799, 788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ASP HN 57 HIS HB3 5.84
&rst
ixpk= 0, nxpk= 0, iat= 799, 816, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 56 ASP HN 57 HIS HB2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 799, 815, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 56 ASP HN 57 HIS HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= 799, 811, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 56 ASP HN 57 HIS HD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 799, 823, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 57 HIS HB2 28 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 815, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 57 HIS HB3 29 GLN HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 816, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 57 HIS HB2 29 GLN HN 6.49
&rst
ixpk= 0, nxpk= 0, iat= 815, 412, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 57 HIS HA 30 ASP HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 813, 434, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 57 HIS HA 30 ASP HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 813, 433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 HIS HN 30 ASP HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 811, 434, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 57 HIS HN 30 ASP HB2 5.83
&rst
ixpk= 0, nxpk= 0, iat= 811, 433, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 57 HIS HD2 54 LYS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 823, 767, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 57 HIS HN 54 LYS HB3 5.43
&rst
ixpk= 0, nxpk= 0, iat= 811, 767, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 57 HIS HN 54 LYS HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 811, 766, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 57 HIS HN 55 GLU HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 811, 786, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 57 HIS HN 56 ASP HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 811, 801, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 HIS HN 56 ASP HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 811, 804, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 57 HIS HN 56 ASP HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 811, 803, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 57 HIS HA 58 GLN HG3 6.29
&rst
ixpk= 0, nxpk= 0, iat= 813, 835, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 57 HIS HA 58 GLN HG2 6.98
&rst
ixpk= 0, nxpk= 0, iat= 813, 834, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48, &end
#
# 57 HIS HA 58 GLN HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 813, 831, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 57 HIS HB2 58 GLN HA 6.26
&rst
ixpk= 0, nxpk= 0, iat= 815, 829, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 57 HIS HA 58 GLN HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 813, 827, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 58 GLN HN 28 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 827, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 58 GLN HN 29 GLN HG3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 827, 420, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 58 GLN HN 29 GLN HG2 6.17
&rst
ixpk= 0, nxpk= 0, iat= 827, 419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 58 GLN HN 29 GLN HB2 5.98
&rst
ixpk= 0, nxpk= 0, iat= 827, 416, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 58 GLN HN 29 GLN HN 6.62
&rst
ixpk= 0, nxpk= 0, iat= 827, 412, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 58 GLN HN 29 GLN HB3 6.97
&rst
ixpk= 0, nxpk= 0, iat= 827, 417, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, &end
#
# 58 GLN HB2 30 ASP HA 5.54
&rst
ixpk= 0, nxpk= 0, iat= 831, 431, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 58 GLN HN 30 ASP HA 6.62
&rst
ixpk= 0, nxpk= 0, iat= 827, 431, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 58 GLN HN 30 ASP HB3 6.88
&rst
ixpk= 0, nxpk= 0, iat= 827, 434, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 58 GLN HN 30 ASP HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 827, 433, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 58 GLN HN 57 HIS HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 827, 816, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 58 GLN HN 57 HIS HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 827, 815, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 58 GLN HN 57 HIS HE1 6.88
&rst
ixpk= 0, nxpk= 0, iat= 827, 820, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 58 GLN HN 57 HIS HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 827, 811, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 58 GLN HN 57 HIS HN 5.57
&rst
ixpk= 0, nxpk= 0, iat= 827, 811, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 58 GLN HN 57 HIS HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 827, 823, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 58 GLN HA 59 LEU HG 5.69
&rst
ixpk= 0, nxpk= 0, iat= 829, 851, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 58 GLN HN 59 LEU HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 827, 846, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 58 GLN HN 59 LEU HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 827, 844, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 59 LEU QD1 26 TRP HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 26 TRP HB2 6.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 853, 854, 855,
&end
#
# 59 LEU HB3 26 TRP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 849, 366, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 59 LEU HB3 26 TRP HB2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 849, 365, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 59 LEU HB2 26 TRP HB2 6.69
&rst
ixpk= 0, nxpk= 0, iat= 848, 365, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 59 LEU HB3 26 TRP HA 6.62
&rst
ixpk= 0, nxpk= 0, iat= 849, 363, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 59 LEU QD1 27 HIS HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 28 CYS HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 28 CYS HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 28 CYS HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 28 CYS HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 853, 854, 855,
&end
#
# 59 LEU HB3 28 CYS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 849, 404, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 59 LEU HB2 28 CYS HA 6.34
&rst
ixpk= 0, nxpk= 0, iat= 848, 404, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 59 LEU QD1 29 GLN HG3 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 853, 854, 855,
&end
#
# 59 LEU HA 29 GLN HG3 5.51
&rst
ixpk= 0, nxpk= 0, iat= 846, 420, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 59 LEU HA 29 GLN HG2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 846, 419, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 59 LEU HA 29 GLN HB2 6.48
&rst
ixpk= 0, nxpk= 0, iat= 846, 416, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 59 LEU QD1 29 GLN HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 853, 854, 855,
&end
#
# 59 LEU HN 29 GLN HG3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 844, 420, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 59 LEU HN 29 GLN HG2 6.62
&rst
ixpk= 0, nxpk= 0, iat= 844, 419, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 59 LEU QD1 30 ASP HN 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 37 LEU HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 37 LEU HB3 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 39 PHE QE 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 853, 854, 855,
igr2= 563, 567,
&end
#
# 59 LEU QD1 44 SER HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 44 SER HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 53 HIS HE1 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 57 HIS HB3 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 57 HIS HB2 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 57 HIS HE1 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 853, 854, 855,
&end
#
# 59 LEU QD1 57 HIS HD2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 853, 854, 855,
&end
#
# 59 LEU HA 58 GLN HB2 5.53
&rst
ixpk= 0, nxpk= 0, iat= 846, 831, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 59 LEU HB3 58 GLN HA 6.23
&rst
ixpk= 0, nxpk= 0, iat= 849, 829, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 59 LEU HB2 58 GLN HA 5.53
&rst
ixpk= 0, nxpk= 0, iat= 848, 829, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 59 LEU QD1 58 GLN HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854, 855,
&end
#
# 59 LEU HN 58 GLN HA 3.18
&rst
ixpk= 0, nxpk= 0, iat= 844, 829, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 59 LEU HA 58 GLN HA 5.55
&rst
ixpk= 0, nxpk= 0, iat= 846, 829, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 59 LEU HN 58 GLN HG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 844, 834, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 59 LEU HN 58 GLN HE22 6.55
&rst
ixpk= 0, nxpk= 0, iat= 844, 840, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 59 LEU QD1 58 GLN HN 6.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 853, 854, 855,
&end
#
# 59 LEU HN 58 GLN HG3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 844, 835, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 59 LEU HN 58 GLN HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 844, 831, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 59 LEU QD1 60 GLU HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 853, 854, 855,
&end
#
# 60 GLU HB2 26 TRP HA 6.25
&rst
ixpk= 0, nxpk= 0, iat= 867, 363, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 60 GLU HB3 26 TRP HA 6.88
&rst
ixpk= 0, nxpk= 0, iat= 868, 363, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, &end
#
# 60 GLU HN 26 TRP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 863, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HN 26 TRP HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 863, 366, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HN 26 TRP HB2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 863, 365, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 60 GLU HG2 27 HIS HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 870, 390, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HG2 27 HIS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 870, 389, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HG3 27 HIS HB3 5.61
&rst
ixpk= 0, nxpk= 0, iat= 871, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 60 GLU HG3 27 HIS HB2 6.03
&rst
ixpk= 0, nxpk= 0, iat= 871, 389, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 60 GLU HB3 27 HIS HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 868, 387, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HN 27 HIS HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 863, 389, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HN 27 HIS HB3 5.84
&rst
ixpk= 0, nxpk= 0, iat= 863, 390, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 60 GLU HG3 27 HIS HN 6.80
&rst
ixpk= 0, nxpk= 0, iat= 871, 385, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 60 GLU HG2 27 HIS HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 870, 385, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HN 27 HIS HA 6.49
&rst
ixpk= 0, nxpk= 0, iat= 863, 387, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, &end
#
# 60 GLU HN 28 CYS HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 863, 404, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 60 GLU HG2 29 GLN HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 870, 419, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 60 GLU HG3 29 GLN HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 871, 419, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 60 GLU HB2 29 GLN HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= 867, 414, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 60 GLU HB2 29 GLN HG3 5.85
&rst
ixpk= 0, nxpk= 0, iat= 867, 420, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 60 GLU HB2 29 GLN HG2 5.76
&rst
ixpk= 0, nxpk= 0, iat= 867, 419, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 60 GLU HB3 29 GLN HG3 6.13
&rst
ixpk= 0, nxpk= 0, iat= 868, 420, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 60 GLU HB3 29 GLN HG2 6.10
&rst
ixpk= 0, nxpk= 0, iat= 868, 419, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 60 GLU HN 29 GLN HA 6.01
&rst
ixpk= 0, nxpk= 0, iat= 863, 414, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 60 GLU HG3 29 GLN HE21 7.00
&rst
ixpk= 0, nxpk= 0, iat= 871, 424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HN 29 GLN HG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 863, 419, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 60 GLU HN 29 GLN HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 863, 412, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 60 GLU HN 29 GLN HG3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 863, 420, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 60 GLU HB2 59 LEU HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 867, 846, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 60 GLU HB3 59 LEU HA 5.53
&rst
ixpk= 0, nxpk= 0, iat= 868, 846, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 60 GLU HG2 59 LEU HA 6.74
&rst
ixpk= 0, nxpk= 0, iat= 870, 846, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 60 GLU HN 59 LEU HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 863, 848, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 60 GLU HN 59 LEU HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 863, 849, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 60 GLU HN 59 LEU HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 863, 844, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 60 GLU HN 59 LEU HA 3.46
&rst
ixpk= 0, nxpk= 0, iat= 863, 846, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 60 GLU HG2 61 PRO HD3 6.64
&rst
ixpk= 0, nxpk= 0, iat= 870, 880, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, &end
#
# 60 GLU HG2 61 PRO HD2 4.91
&rst
ixpk= 0, nxpk= 0, iat= 870, 879, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 60 GLU HG3 61 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 871, 880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 GLU HG3 61 PRO HD2 6.32
&rst
ixpk= 0, nxpk= 0, iat= 871, 879, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, &end
#
# 60 GLU HB2 61 PRO HD3 5.61
&rst
ixpk= 0, nxpk= 0, iat= 867, 880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 60 GLU HB2 61 PRO HD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 867, 879, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 60 GLU HB3 61 PRO HD3 6.41
&rst
ixpk= 0, nxpk= 0, iat= 868, 880, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 60 GLU HB3 61 PRO HD2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 60 GLU HA 61 PRO HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 865, 882, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 60 GLU HA 61 PRO HG3 6.75
&rst
ixpk= 0, nxpk= 0, iat= 865, 883, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 60 GLU HA 61 PRO HB3 6.71
&rst
ixpk= 0, nxpk= 0, iat= 865, 886, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, &end
#
# 60 GLU HN 61 PRO HD2 6.75
&rst
ixpk= 0, nxpk= 0, iat= 863, 879, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, &end
#
# 60 GLU HN 61 PRO HD3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 863, 880, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HG2 62 ILE HG12 7.00
&rst
ixpk= 0, nxpk= 0, iat= 870, 902, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HG3 62 ILE HG13 6.55
&rst
ixpk= 0, nxpk= 0, iat= 871, 903, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 60 GLU HG3 62 ILE HG12 6.25
&rst
ixpk= 0, nxpk= 0, iat= 871, 902, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 60 GLU HG2 62 ILE QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 905, 906, 907,
&end
#
# 60 GLU HG3 62 ILE QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 905, 906, 907,
&end
#
# 60 GLU HB2 62 ILE HG13 6.31
&rst
ixpk= 0, nxpk= 0, iat= 867, 903, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, &end
#
# 60 GLU HB2 62 ILE HG12 7.00
&rst
ixpk= 0, nxpk= 0, iat= 867, 902, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 GLU HB2 62 ILE QD1 6.03
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2= 905, 906, 907,
&end
#
# 60 GLU HB3 62 ILE QD1 5.84
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 905, 906, 907,
&end
#
# 60 GLU HN 62 ILE QD1 6.23
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr2= 905, 906, 907,
&end
#
# 60 GLU HN 62 ILE HG13 6.41
&rst
ixpk= 0, nxpk= 0, iat= 863, 903, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, &end
#
# 61 PRO HA 26 TRP HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= 888, 363, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 61 PRO QD 26 TRP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 879, 880,
&end
#
# 61 PRO HD3 59 LEU HB2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 880, 848, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 61 PRO HD2 59 LEU HB2 6.50
&rst
ixpk= 0, nxpk= 0, iat= 879, 848, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 61 PRO HD3 60 GLU HA 3.88
&rst
ixpk= 0, nxpk= 0, iat= 880, 865, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 61 PRO HD2 60 GLU HA 3.71
&rst
ixpk= 0, nxpk= 0, iat= 879, 865, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 61 PRO HA 62 ILE HB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 888, 896, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 61 PRO HG2 63 TYR QE 6.65
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr2= 921, 926,
&end
#
# 61 PRO HG3 63 TYR QE 7.00
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 921, 926,
&end
#
# 62 ILE HN 24 VAL QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 331, 332, 333,
&end
#
# 62 ILE HG13 24 VAL QG1 6.59
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr2= 327, 328, 329,
&end
#
# 62 ILE HN 24 VAL QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 327, 328, 329,
&end
#
# 62 ILE HN 24 VAL HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 892, 323, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 62 ILE HN 25 ARG HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 892, 339, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 ILE HN 25 ARG HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 892, 337, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 62 ILE HG13 26 TRP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 903, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 ILE HG12 26 TRP HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 902, 363, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 ILE HN 26 TRP HN 7.00
&rst
ixpk= 0, nxpk= 0, iat= 892, 361, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 ILE HN 26 TRP HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 892, 363, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 62 ILE HN 26 TRP HB2 6.16
&rst
ixpk= 0, nxpk= 0, iat= 892, 365, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 62 ILE QD1 27 HIS HD2 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 905, 906, 907,
&end
#
# 62 ILE HN 27 HIS HN 6.57
&rst
ixpk= 0, nxpk= 0, iat= 892, 385, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, &end
#
# 62 ILE HA 61 PRO HA 6.15
&rst
ixpk= 0, nxpk= 0, iat= 894, 888, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 62 ILE HG13 61 PRO HA 6.80
&rst
ixpk= 0, nxpk= 0, iat= 903, 888, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30, &end
#
# 62 ILE HG12 61 PRO HA 6.61
&rst
ixpk= 0, nxpk= 0, iat= 902, 888, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, &end
#
# 62 ILE HN 61 PRO HA 3.37
&rst
ixpk= 0, nxpk= 0, iat= 892, 888, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 62 ILE HN 61 PRO HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 892, 886, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 62 ILE HN 61 PRO HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 892, 885, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 62 ILE HN 61 PRO HG2 6.92
&rst
ixpk= 0, nxpk= 0, iat= 892, 882, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42, &end
#
# 62 ILE HN 61 PRO HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 892, 883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 ILE HA 63 TYR HB2 6.43
&rst
ixpk= 0, nxpk= 0, iat= 894, 915, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, &end
#
# 62 ILE HA 63 TYR HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 894, 916, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 ILE HA 63 TYR HA 5.54
&rst
ixpk= 0, nxpk= 0, iat= 894, 913, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 62 ILE HA 63 TYR HN 3.18
&rst
ixpk= 0, nxpk= 0, iat= 894, 911, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 62 ILE QG2 63 TYR HB2 6.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1= 898, 899, 900,
&end
#
# 62 ILE HN 63 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 892, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ILE HN 63 TYR QD 5.52
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 919, 928,
&end
#
# 62 ILE QG2 64 ARG HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 898, 899, 900,
&end
#
# 62 ILE QG2 64 ARG HB3 6.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1= 898, 899, 900,
&end
#
# 62 ILE QG2 64 ARG HB2 6.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1= 898, 899, 900,
&end
#
# 63 TYR HA 3 LEU QD2 6.76
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr2= 38, 39, 40,
&end
#
# 63 TYR QD 24 VAL HA 6.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 919, 928,
&end
#
# 63 TYR QD 24 VAL QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 919, 928,
igr2= 331, 332, 333,
&end
#
# 63 TYR QD 24 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 919, 928,
igr2= 327, 328, 329,
&end
#
# 63 TYR HN 24 VAL HA 5.66
&rst
ixpk= 0, nxpk= 0, iat= 911, 323, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 63 TYR HN 24 VAL QG2 6.33
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr2= 331, 332, 333,
&end
#
# 63 TYR HN 24 VAL QG1 5.27
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 327, 328, 329,
&end
#
# 63 TYR QD 25 ARG HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 919, 928,
&end
#
# 63 TYR QD 61 PRO HB2 6.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 919, 928,
&end
#
# 63 TYR QD 61 PRO HB3 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 919, 928,
&end
#
# 63 TYR QD 61 PRO HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 919, 928,
&end
#
# 63 TYR QD 61 PRO HG3 6.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 919, 928,
&end
#
# 63 TYR QD 61 PRO HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 919, 928,
&end
#
# 63 TYR HN 61 PRO HB3 6.55
&rst
ixpk= 0, nxpk= 0, iat= 911, 886, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 63 TYR QD 62 ILE QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 919, 928,
igr2= 898, 899, 900,
&end
#
# 63 TYR QD 62 ILE HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 919, 928,
&end
#
# 63 TYR HN 62 ILE QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 898, 899, 900,
&end
#
# 63 TYR HN 62 ILE HB 5.91
&rst
ixpk= 0, nxpk= 0, iat= 911, 896, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 63 TYR HN 62 ILE HG12 5.53
&rst
ixpk= 0, nxpk= 0, iat= 911, 902, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 63 TYR HN 62 ILE HG13 6.29
&rst
ixpk= 0, nxpk= 0, iat= 911, 903, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, &end
#
# 63 TYR QD 64 ARG HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 919, 928,
&end
#
# 63 TYR HB2 64 ARG HA 6.74
&rst
ixpk= 0, nxpk= 0, iat= 915, 934, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, &end
#
# 63 TYR HB3 64 ARG HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 916, 934, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 63 TYR HB2 64 ARG HG3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 915, 940, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 63 TYR HB3 64 ARG HG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 916, 939, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 63 TYR HB2 64 ARG HB3 7.00
&rst
ixpk= 0, nxpk= 0, iat= 915, 937, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 63 TYR HA 64 ARG HA 5.79
&rst
ixpk= 0, nxpk= 0, iat= 913, 934, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 63 TYR QD 64 ARG HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 919, 928,
&end
#
# 64 ARG HN 2 PRO HA 6.70
&rst
ixpk= 0, nxpk= 0, iat= 932, 21, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 64 ARG HN 24 VAL QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 331, 332, 333,
&end
#
# 64 ARG HN 62 ILE QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 898, 899, 900,
&end
#
# 64 ARG HN 62 ILE QD1 6.47
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr2= 905, 906, 907,
&end
#
# 64 ARG HN 62 ILE HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 932, 894, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 64 ARG HN 63 TYR HB3 6.13
&rst
ixpk= 0, nxpk= 0, iat= 932, 916, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 64 ARG HN 63 TYR HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= 932, 913, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 64 ARG HN 63 TYR HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 932, 915, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 64 ARG HN 63 TYR HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 932, 911, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
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