NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492171 |
2k4b   |
15793 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
#
# 6 ALA QB 35 TRP HH2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
igr1= 83, 84, 85,
&end
#
# 6 ALA QB 43 LEU HG 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 83, 84, 85,
&end
#
# 6 ALA QB 43 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 83, 84, 85,
igr2= 692, 693, 694,
&end
#
# 6 ALA QB 43 LEU QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 83, 84, 85,
igr2= 696, 697, 698,
&end
#
# 9 ILE HA 9 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 136, 137, 138,
&end
#
# 9 ILE HA 9 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 129, 130, 131,
&end
#
# 9 ILE HB 9 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 136, 137, 138,
&end
#
# 9 ILE QD1 33 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 136, 137, 138,
igr2= 528, 529, 530,
&end
#
# 9 ILE QG2 9 ILE HG12 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 129, 130, 131,
&end
#
# 9 ILE QG2 9 ILE HG13 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 129, 130, 131,
&end
#
# 9 ILE QG2 9 ILE QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 129, 130, 131,
igr2= 136, 137, 138,
&end
#
# 10 VAL HA 13 VAL HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 144, 199, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 10 VAL HA 14 ILE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 144, 215, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 10 VAL HA 29 ILE QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 467, 468, 469,
&end
#
# 10 VAL QG1 29 ILE QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 148, 149, 150,
igr2= 467, 468, 469,
&end
#
# 10 VAL QG1 35 TRP HE3 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 148, 149, 150,
&end
#
# 10 VAL QG1 35 TRP HH2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 148, 149, 150,
&end
#
# 10 VAL QG1 35 TRP HZ3 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 148, 149, 150,
&end
#
# 10 VAL QG1 43 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 148, 149, 150,
igr2= 692, 693, 694,
&end
#
# 10 VAL QG2 47 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 152, 153, 154,
igr2= 761, 762, 763,
&end
#
# 10 VAL QG2 47 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 152, 153, 154,
igr2= 765, 766, 767,
&end
#
# 13 VAL HN 13 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 205, 206, 207,
&end
#
# 13 VAL HN 13 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 209, 210, 211,
&end
#
# 13 VAL HN 14 ILE HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 199, 215, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 13 VAL HN 15 TRP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 199, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 VAL HA 16 SER HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 201, 258, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 13 VAL HA 17 LEU HN 6.17
&rst
ixpk= 0, nxpk= 0, iat= 201, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, &end
#
# 13 VAL HB 14 ILE HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 203, 215, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 13 VAL QG1 14 ILE HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 205, 206, 207,
&end
#
# 13 VAL QG2 14 ILE HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 209, 210, 211,
&end
#
# 13 VAL QG2 14 ILE QG1 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 209, 210, 211,
igr2= 225, 226,
&end
#
# 13 VAL QG2 15 TRP HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 209, 210, 211,
&end
#
# 13 VAL QG2 28 GLN HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 209, 210, 211,
&end
#
# 13 VAL QG2 28 GLN HE21 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 209, 210, 211,
&end
#
# 13 VAL QG2 28 GLN HE22 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 209, 210, 211,
&end
#
# 13 VAL QG2 28 GLN QG 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 209, 210, 211,
igr2= 444, 445,
&end
#
# 13 VAL QG2 29 ILE HN 6.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 209, 210, 211,
&end
#
# 14 ILE HN 14 ILE HB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 215, 219, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 14 ILE HN 14 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 228, 229, 230,
&end
#
# 14 ILE HN 14 ILE QG1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 225, 226,
&end
#
# 14 ILE HN 14 ILE QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr2= 221, 222, 223,
&end
#
# 14 ILE HN 15 TRP HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 215, 234, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 14 ILE HN 16 SER HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 215, 258, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 14 ILE HA 14 ILE QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 228, 229, 230,
&end
#
# 14 ILE HA 14 ILE QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 225, 226,
&end
#
# 14 ILE HA 14 ILE QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 221, 222, 223,
&end
#
# 14 ILE HA 17 LEU HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 217, 269, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 14 ILE HA 17 LEU HB2 5.94
&rst
ixpk= 0, nxpk= 0, iat= 217, 273, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 14 ILE HB 14 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 228, 229, 230,
&end
#
# 14 ILE HB 15 TRP HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 219, 234, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 14 ILE HB 16 SER HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 219, 258, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 14 ILE QD1 15 TRP HN 6.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 228, 229, 230,
&end
#
# 14 ILE QG1 15 TRP HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 225, 226,
&end
#
# 14 ILE QG1 16 SER HN 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 225, 226,
&end
#
# 14 ILE QG1 28 GLN QG 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 225, 226,
igr2= 444, 445,
&end
#
# 14 ILE QG2 14 ILE QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1= 221, 222, 223,
igr2= 228, 229, 230,
&end
#
# 14 ILE QG2 14 ILE QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 221, 222, 223,
igr2= 225, 226,
&end
#
# 14 ILE QG2 15 TRP HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 221, 222, 223,
&end
#
# 14 ILE QG2 16 SER HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 221, 222, 223,
&end
#
# 14 ILE QG2 20 ALA HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 221, 222, 223,
&end
#
# 15 TRP HN 15 TRP HD1 6.04
&rst
ixpk= 0, nxpk= 0, iat= 234, 242, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 15 TRP HN 16 SER HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 234, 258, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 15 TRP HN 16 SER QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 262, 263,
&end
#
# 15 TRP HA 15 TRP HD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 236, 242, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 15 TRP HB2 16 SER HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 238, 258, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 15 TRP HB3 16 SER HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 239, 258, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 15 TRP HD1 16 SER HN 5.72
&rst
ixpk= 0, nxpk= 0, iat= 242, 258, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 15 TRP HE1 16 SER QB 6.08
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 262, 263,
&end
#
# 16 SER HN 16 SER QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 262, 263,
&end
#
# 16 SER HN 17 LEU HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 258, 269, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 16 SER HN 18 GLY HN 6.11
&rst
ixpk= 0, nxpk= 0, iat= 258, 288, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, &end
#
# 16 SER QB 17 LEU HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 262, 263,
&end
#
# 16 SER QB 17 LEU QD1 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 262, 263,
igr2= 278, 279, 280,
&end
#
# 17 LEU HN 17 LEU HG 4.87
&rst
ixpk= 0, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 17 LEU HN 17 LEU QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 278, 279, 280,
&end
#
# 17 LEU HN 17 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 282, 283, 284,
&end
#
# 17 LEU HN 18 GLY HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 269, 288, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 17 LEU HN 19 GLU HN 5.76
&rst
ixpk= 0, nxpk= 0, iat= 269, 295, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 17 LEU HA 17 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 278, 279, 280,
&end
#
# 17 LEU HA 17 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 282, 283, 284,
&end
#
# 17 LEU HB2 17 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 278, 279, 280,
&end
#
# 17 LEU HB2 17 LEU QD2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 282, 283, 284,
&end
#
# 17 LEU HB3 17 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 278, 279, 280,
&end
#
# 17 LEU HB3 17 LEU QD2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 282, 283, 284,
&end
#
# 17 LEU HB3 18 GLY HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 17 LEU HB3 19 GLU HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 274, 295, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 17 LEU HG 18 GLY HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 LEU QD1 18 GLY HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 278, 279, 280,
&end
#
# 17 LEU QD1 19 GLU HN 6.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 278, 279, 280,
&end
#
# 17 LEU QD1 28 GLN HE21 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 278, 279, 280,
&end
#
# 17 LEU QD1 28 GLN HE22 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 278, 279, 280,
&end
#
# 17 LEU QD2 18 GLY HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 282, 283, 284,
&end
#
# 17 LEU QD2 19 GLU HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 282, 283, 284,
&end
#
# 18 GLY HN 19 GLU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 288, 295, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 18 GLY HA2 19 GLU HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 290, 295, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 19 GLU HN 19 GLU HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 295, 299, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 19 GLU HN 19 GLU HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 295, 300, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 19 GLU HN 19 GLU QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 302, 303,
&end
#
# 19 GLU HN 20 ALA HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 295, 310, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 19 GLU HN 20 ALA QB 5.53
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 314, 315, 316,
&end
#
# 19 GLU HA 63 VAL QQG 6.03
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 19 GLU HA 64 TYR HN 5.63
&rst
ixpk= 0, nxpk= 0, iat= 297,1048, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 19 GLU HA 65 ARG HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 297,1071, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 19 GLU HB2 20 ALA HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 299, 310, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 19 GLU HB2 64 TYR HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= 299,1048, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 19 GLU HB3 63 VAL QQG 5.28
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 19 GLU QG 20 ALA HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 302, 303,
&end
#
# 19 GLU QG 63 VAL QQG 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 302, 303,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 20 ALA HN 20 ALA QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 314, 315, 316,
&end
#
# 20 ALA HN 21 ARG HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 310, 320, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 20 ALA HN 63 VAL HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 310,1034, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 20 ALA HN 63 VAL QQG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 20 ALA HN 64 TYR HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 310,1048, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 20 ALA HN 64 TYR HB2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 310,1052, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 20 ALA HN 64 TYR HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 310,1053, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 20 ALA HN 64 TYR O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 310,1067, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 20 ALA HN 64 TYR QD 6.25
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1056,1065,
&end
#
# 20 ALA N 64 TYR O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 309,1067, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 ALA QB 21 ARG HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 314, 315, 316,
&end
#
# 20 ALA QB 24 GLU HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 314, 315, 316,
&end
#
# 20 ALA QB 64 TYR HN 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 314, 315, 316,
&end
#
# 21 ARG HN 21 ARG HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 21 ARG HN 21 ARG HD2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 320, 330, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 21 ARG HN 21 ARG HD3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 320, 331, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 21 ARG HN 21 ARG QG 4.19
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 327, 328,
&end
#
# 21 ARG HN 22 VAL HN 5.68
&rst
ixpk= 0, nxpk= 0, iat= 320, 344, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 21 ARG HN 23 ASP HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= 320, 360, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 21 ARG HN 24 GLU HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 320, 372, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 21 ARG HN 24 GLU HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 320, 376, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 21 ARG HN 24 GLU HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 320, 377, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 21 ARG HN 24 GLU HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 320, 379, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 21 ARG HN 25 ILE QD1 6.25
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 400, 401, 402,
&end
#
# 21 ARG HN 25 ILE QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 393, 394, 395,
&end
#
# 21 ARG HN 63 VAL HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 320,1034, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 21 ARG HN 63 VAL QQG 5.89
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 21 ARG HA 21 ARG HD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 322, 330, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 21 ARG HA 21 ARG HD3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 322, 331, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 21 ARG HA 23 ASP HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 322, 360, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 21 ARG HA 62 PHE HN 5.91
&rst
ixpk= 0, nxpk= 0, iat= 322,1012, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 21 ARG HA 63 VAL HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 322,1034, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 21 ARG HA 63 VAL QQG 4.18
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 21 ARG HA 64 TYR HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 322,1048, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 21 ARG HA 64 TYR QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1056,1065,
&end
#
# 21 ARG HB2 21 ARG HD2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 324, 330, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 21 ARG HB2 21 ARG HD3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 324, 331, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 21 ARG HB2 21 ARG QG 2.70
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,
igr2= 327, 328,
&end
#
# 21 ARG HB2 22 VAL HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 324, 344, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 21 ARG HB2 23 ASP HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 324, 360, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 21 ARG HB2 24 GLU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 324, 372, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 21 ARG HB3 22 VAL HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 325, 344, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 21 ARG HB3 23 ASP HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 325, 360, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 ARG HB3 24 GLU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 325, 372, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 21 ARG HD2 22 VAL HN 5.74
&rst
ixpk= 0, nxpk= 0, iat= 330, 344, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 21 ARG HD2 63 VAL QQG 4.67
&rst
ixpk= 0, nxpk= 0, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 21 ARG HD3 22 VAL HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 331, 344, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 21 ARG QG 22 VAL HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 327, 328,
&end
#
# 22 VAL HN 22 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 350, 351, 352,
&end
#
# 22 VAL HN 22 VAL QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 354, 355, 356,
&end
#
# 22 VAL HN 23 ASP HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 344, 360, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 22 VAL HN 25 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 400, 401, 402,
&end
#
# 22 VAL HN 25 ILE QG2 5.83
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 393, 394, 395,
&end
#
# 22 VAL HN 62 PHE QD 5.93
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1020,1028,
&end
#
# 22 VAL HN 63 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 344,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 VAL HN 64 TYR QD 5.69
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1056,1065,
&end
#
# 22 VAL HN 64 TYR QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1058,1063,
&end
#
# 22 VAL HA 22 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 350, 351, 352,
&end
#
# 22 VAL HA 22 VAL QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 354, 355, 356,
&end
#
# 22 VAL HA 24 GLU HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 346, 372, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 22 VAL HA 25 ILE HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 346, 387, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 22 VAL HA 25 ILE HB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 346, 391, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 22 VAL HA 25 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 400, 401, 402,
&end
#
# 22 VAL HA 25 ILE QG1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 397, 398,
&end
#
# 22 VAL HA 25 ILE QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 393, 394, 395,
&end
#
# 22 VAL HA 26 TYR HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 346, 406, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 22 VAL HB 23 ASP HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 348, 360, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 22 VAL HB 25 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 400, 401, 402,
&end
#
# 22 VAL HB 26 TYR HN 5.64
&rst
ixpk= 0, nxpk= 0, iat= 348, 406, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 22 VAL QG1 23 ASP HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 350, 351, 352,
&end
#
# 22 VAL QG1 24 GLU HN 6.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 350, 351, 352,
&end
#
# 22 VAL QG1 25 ILE HN 6.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 350, 351, 352,
&end
#
# 22 VAL QG1 44 LEU QD1 5.62
# &rst
# ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
# igr1= 350, 351, 352,
# igr2= 711, 712, 713,
# &end
#
# 22 VAL QG1 61 LYS QG 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 350, 351, 352,
igr2= 997, 998,
&end
#
# 22 VAL QG1 62 PHE HN 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 350, 351, 352,
&end
#
# 22 VAL QG1 62 PHE QD 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 350, 351, 352,
igr2=1020,1028,
&end
#
# 22 VAL QG1 64 TYR QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 350, 351, 352,
igr2=1056,1065,
&end
#
# 22 VAL QG2 23 ASP HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 23 ASP HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 23 ASP HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 23 ASP HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 24 GLU HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 25 ILE HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 25 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 354, 355, 356,
igr2= 400, 401, 402,
&end
#
# 22 VAL QG2 26 TYR HN 6.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 41 LYS HE2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 41 LYS HE3 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 62 PHE HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 354, 355, 356,
&end
#
# 22 VAL QG2 64 TYR QE 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 354, 355, 356,
igr2=1058,1063,
&end
#
# 23 ASP HN 23 ASP HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 23 ASP HN 23 ASP HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 23 ASP HN 24 GLU HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 23 ASP HN 25 ILE HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 360, 387, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 23 ASP HN 25 ILE QG1 5.32
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 397, 398,
&end
#
# 23 ASP HN 61 LYS QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1000,1001,
&end
#
# 23 ASP HN 61 LYS QG 5.53
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 997, 998,
&end
#
# 23 ASP HA 26 TYR HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 362, 406, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 23 ASP HA 26 TYR HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 362, 410, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 23 ASP HA 27 ALA HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 362, 427, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 23 ASP HA 27 ALA QB 5.42
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 431, 432, 433,
&end
#
# 23 ASP HB2 24 GLU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 364, 372, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 ASP HB3 24 GLU HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 365, 372, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 24 GLU HN 24 GLU HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 24 GLU HN 24 GLU HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 372, 377, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 24 GLU HN 24 GLU HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 372, 379, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 24 GLU HN 25 ILE HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 372, 387, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 24 GLU HN 25 ILE HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= 372, 389, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 24 GLU HN 25 ILE QD1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 400, 401, 402,
&end
#
# 24 GLU HN 25 ILE QG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 393, 394, 395,
&end
#
# 24 GLU HN 27 ALA QB 5.57
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 431, 432, 433,
&end
#
# 24 GLU HA 24 GLU HG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 24 GLU HA 26 TYR HN 5.58
&rst
ixpk= 0, nxpk= 0, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 24 GLU HA 27 ALA HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 374, 427, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 24 GLU HB2 25 ILE HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 376, 387, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 24 GLU HB2 27 ALA HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= 376, 427, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 24 GLU HB3 25 ILE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 377, 387, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 24 GLU HB3 25 ILE QG1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 397, 398,
&end
#
# 24 GLU HB3 27 ALA HN 5.67
&rst
ixpk= 0, nxpk= 0, iat= 377, 427, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 24 GLU HG2 25 ILE HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 379, 387, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 24 GLU HG2 27 ALA HN 5.89
&rst
ixpk= 0, nxpk= 0, iat= 379, 427, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 25 ILE HN 25 ILE HB 3.84
&rst
ixpk= 0, nxpk= 0, iat= 387, 391, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 25 ILE HN 25 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 400, 401, 402,
&end
#
# 25 ILE HN 25 ILE QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 397, 398,
&end
#
# 25 ILE HN 25 ILE QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 393, 394, 395,
&end
#
# 25 ILE HN 26 TYR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 387, 406, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 25 ILE HN 26 TYR HB3 5.88
&rst
ixpk= 0, nxpk= 0, iat= 387, 411, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 25 ILE HN 27 ALA HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 387, 427, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 25 ILE HA 25 ILE QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 400, 401, 402,
&end
#
# 25 ILE HA 25 ILE QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 393, 394, 395,
&end
#
# 25 ILE HA 27 ALA HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 389, 427, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 25 ILE HA 28 GLN HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 389, 437, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 25 ILE HA 29 ILE HN 5.84
&rst
ixpk= 0, nxpk= 0, iat= 389, 454, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 25 ILE HB 25 ILE QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 400, 401, 402,
&end
#
# 25 ILE HB 26 TYR HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 391, 406, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 25 ILE QD1 26 TYR HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 400, 401, 402,
&end
#
# 25 ILE QD1 44 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 400, 401, 402,
igr2= 711, 712, 713,
&end
#
# 25 ILE QD1 44 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1= 400, 401, 402,
igr2= 715, 716, 717,
&end
#
# 25 ILE QD1 64 TYR HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 400, 401, 402,
&end
#
# 25 ILE QD1 64 TYR QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 400, 401, 402,
igr2=1056,1065,
&end
#
# 25 ILE QD1 64 TYR QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 400, 401, 402,
igr2=1058,1063,
&end
#
# 25 ILE QG1 26 TYR HN 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 397, 398,
&end
#
# 25 ILE QG2 25 ILE QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr1= 393, 394, 395,
igr2= 400, 401, 402,
&end
#
# 25 ILE QG2 25 ILE QG1 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr1= 393, 394, 395,
igr2= 397, 398,
&end
#
# 25 ILE QG2 26 TYR HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 393, 394, 395,
&end
#
# 25 ILE QG2 27 ALA HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 393, 394, 395,
&end
#
# 25 ILE QG2 44 LEU QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 393, 394, 395,
igr2= 711, 712, 713,
&end
#
# 25 ILE QG2 44 LEU QD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 393, 394, 395,
igr2= 715, 716, 717,
&end
#
# 26 TYR HN 26 TYR HB2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 406, 410, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 26 TYR HN 26 TYR HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 406, 411, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 26 TYR HN 26 TYR QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 414, 423,
&end
#
# 26 TYR HN 27 ALA HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 406, 427, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 26 TYR HN 27 ALA QB 5.75
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 431, 432, 433,
&end
#
# 26 TYR HN 28 GLN HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 406, 437, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 26 TYR HN 28 GLN HE22 6.25
&rst
ixpk= 0, nxpk= 0, iat= 406, 450, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 26 TYR HN 29 ILE HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= 406, 454, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 26 TYR HN 37 LEU QD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 601, 602, 603,
&end
#
# 26 TYR HN 40 VAL HB 6.25
&rst
ixpk= 0, nxpk= 0, iat= 406, 635, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 26 TYR HN 40 VAL QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 641, 642, 643,
&end
#
# 26 TYR HA 26 TYR QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 414, 423,
&end
#
# 26 TYR HA 26 TYR QE 5.55
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 416, 421,
&end
#
# 26 TYR HA 29 ILE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 408, 454, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 26 TYR HA 29 ILE HG12 4.43
&rst
ixpk= 0, nxpk= 0, iat= 408, 464, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 26 TYR HA 37 LEU QD2 5.81
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 601, 602, 603,
&end
#
# 26 TYR HB2 27 ALA HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 26 TYR HB2 28 GLN HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 410, 437, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 26 TYR HB2 29 ILE HN 6.18
&rst
ixpk= 0, nxpk= 0, iat= 410, 454, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 26 TYR HB3 27 ALA HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 411, 427, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 26 TYR HB3 28 GLN HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 411, 437, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 26 TYR HB3 37 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 601, 602, 603,
&end
#
# 26 TYR QD 27 ALA HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 414, 423,
&end
#
# 26 TYR QD 37 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 414, 423,
igr2= 597, 598, 599,
&end
#
# 26 TYR QD 37 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 414, 423,
igr2= 601, 602, 603,
&end
#
# 26 TYR QD 40 VAL HN 6.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 414, 423,
&end
#
# 26 TYR QD 41 LYS HE2 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 414, 423,
&end
#
# 26 TYR QE 37 LEU QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 416, 421,
igr2= 597, 598, 599,
&end
#
# 26 TYR QE 37 LEU QD2 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 416, 421,
igr2= 601, 602, 603,
&end
#
# 26 TYR QE 40 VAL HN 6.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 416, 421,
&end
#
# 27 ALA HN 27 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 431, 432, 433,
&end
#
# 27 ALA HN 28 GLN HE21 6.25
&rst
ixpk= 0, nxpk= 0, iat= 427, 449, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 27 ALA HN 29 ILE HG13 5.03
&rst
ixpk= 0, nxpk= 0, iat= 427, 465, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 27 ALA HN 37 LEU QD2 6.25
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 601, 602, 603,
&end
#
# 27 ALA QB 28 GLN HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 431, 432, 433,
&end
#
# 27 ALA QB 28 GLN HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 431, 432, 433,
&end
#
# 27 ALA QB 28 GLN HE21 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 431, 432, 433,
&end
#
# 27 ALA QB 28 GLN HE22 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 431, 432, 433,
&end
#
# 27 ALA QB 29 ILE HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 431, 432, 433,
&end
#
# 28 GLN HN 28 GLN HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 437, 441, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 28 GLN HN 28 GLN HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 437, 442, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 28 GLN HN 28 GLN HE21 5.07
&rst
ixpk= 0, nxpk= 0, iat= 437, 449, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 28 GLN HN 28 GLN HE22 4.65
&rst
ixpk= 0, nxpk= 0, iat= 437, 450, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 28 GLN HN 28 GLN QG 4.12
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 444, 445,
&end
#
# 28 GLN HN 29 ILE HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= 437, 454, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 28 GLN HN 29 ILE HG12 6.25
&rst
ixpk= 0, nxpk= 0, iat= 437, 464, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 28 GLN HA 28 GLN HE21 6.07
&rst
ixpk= 0, nxpk= 0, iat= 439, 449, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 28 GLN HA 28 GLN HE22 5.49
&rst
ixpk= 0, nxpk= 0, iat= 439, 450, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 28 GLN HB2 28 GLN HE21 5.20
&rst
ixpk= 0, nxpk= 0, iat= 441, 449, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 GLN HB2 28 GLN HE22 5.98
&rst
ixpk= 0, nxpk= 0, iat= 441, 450, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 28 GLN HB3 28 GLN HE21 4.91
&rst
ixpk= 0, nxpk= 0, iat= 442, 449, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 28 GLN HB3 28 GLN HE22 6.24
&rst
ixpk= 0, nxpk= 0, iat= 442, 450, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 28 GLN HB3 29 ILE HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 28 GLN QG 28 GLN HE21 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 444, 445,
&end
#
# 28 GLN QG 29 ILE HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 444, 445,
&end
#
# 29 ILE HN 29 ILE HB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 454, 458, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 ILE HN 29 ILE HG12 3.99
&rst
ixpk= 0, nxpk= 0, iat= 454, 464, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 29 ILE HN 29 ILE HG13 3.75
&rst
ixpk= 0, nxpk= 0, iat= 454, 465, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 29 ILE HN 29 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 467, 468, 469,
&end
#
# 29 ILE HN 29 ILE QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 460, 461, 462,
&end
#
# 29 ILE HN 30 PRO HD2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 454, 474, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 29 ILE HA 29 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 467, 468, 469,
&end
#
# 29 ILE HA 29 ILE QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 460, 461, 462,
&end
#
# 29 ILE HB 29 ILE QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 467, 468, 469,
&end
#
# 29 ILE QD1 35 TRP HE3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 467, 468, 469,
&end
#
# 29 ILE QD1 40 VAL HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 467, 468, 469,
&end
#
# 29 ILE QD1 40 VAL HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 467, 468, 469,
&end
#
# 29 ILE QD1 40 VAL HB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 467, 468, 469,
&end
#
# 29 ILE QG2 29 ILE HG12 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 460, 461, 462,
&end
#
# 29 ILE QG2 29 ILE HG13 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 460, 461, 462,
&end
#
# 29 ILE QG2 29 ILE QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1= 460, 461, 462,
igr2= 467, 468, 469,
&end
#
# 29 ILE QG2 30 PRO HD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 460, 461, 462,
&end
#
# 29 ILE QG2 30 PRO HD3 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 460, 461, 462,
&end
#
# 29 ILE QG2 35 TRP HE3 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 460, 461, 462,
&end
#
# 29 ILE QG2 40 VAL HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 460, 461, 462,
&end
#
# 31 GLN HN 31 GLN QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 491, 492,
&end
#
# 31 GLN HN 31 GLN QG 4.38
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 494, 495,
&end
#
# 31 GLN HA 31 GLN HE21 4.99
&rst
ixpk= 0, nxpk= 0, iat= 489, 499, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 31 GLN HA 31 GLN HE22 5.02
&rst
ixpk= 0, nxpk= 0, iat= 489, 500, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 31 GLN HA 31 GLN QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 494, 495,
&end
#
# 31 GLN QB 31 GLN HE21 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 491, 492,
&end
#
# 31 GLN QB 31 GLN HE22 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 491, 492,
&end
#
# 31 GLN QB 31 GLN QG 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr1= 491, 492,
igr2= 494, 495,
&end
#
# 31 GLN QG 31 GLN HE21 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 494, 495,
&end
#
# 31 GLN QG 32 GLU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 494, 495,
&end
#
# 32 GLU HN 32 GLU HG2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 32 GLU HN 32 GLU HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 504, 512, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 32 GLU HA 32 GLU HG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 506, 511, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 32 GLU HA 32 GLU HG3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 506, 512, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 32 GLU HG2 33 LEU HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 511, 519, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 32 GLU HG3 33 LEU HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 512, 519, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 32 GLU QB 32 GLU HG2 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 508, 509,
&end
#
# 32 GLU QB 33 LEU HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 508, 509,
&end
#
# 33 LEU HN 33 LEU HG 4.17
&rst
ixpk= 0, nxpk= 0, iat= 519, 526, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 33 LEU HN 33 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 528, 529, 530,
&end
#
# 33 LEU HN 33 LEU QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 532, 533, 534,
&end
#
# 33 LEU HN 34 GLU HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 519, 538, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 33 LEU HN 34 GLU HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 519, 545, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 33 LEU HN 34 GLU HG3 5.18
&rst
ixpk= 0, nxpk= 0, iat= 519, 546, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 33 LEU HN 35 TRP HN 5.67
&rst
ixpk= 0, nxpk= 0, iat= 519, 553, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 33 LEU HA 33 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 528, 529, 530,
&end
#
# 33 LEU HA 33 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 532, 533, 534,
&end
#
# 33 LEU HA 34 GLU HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 521, 538, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 33 LEU HB2 33 LEU QD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 532, 533, 534,
&end
#
# 33 LEU HB2 34 GLU HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 523, 538, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 33 LEU HB2 35 TRP HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 523, 553, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 33 LEU HB3 33 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 532, 533, 534,
&end
#
# 33 LEU HB3 34 GLU HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 524, 538, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 33 LEU HB3 35 TRP HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 524, 553, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 33 LEU HG 34 GLU HN 5.62
&rst
ixpk= 0, nxpk= 0, iat= 526, 538, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 33 LEU QD1 34 GLU HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 528, 529, 530,
&end
#
# 33 LEU QD1 35 TRP HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 528, 529, 530,
&end
#
# 33 LEU QD1 35 TRP HZ2 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 528, 529, 530,
&end
#
# 33 LEU QD1 35 TRP HZ3 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 528, 529, 530,
&end
#
# 33 LEU QD2 34 GLU HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 532, 533, 534,
&end
#
# 34 GLU HN 34 GLU HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 538, 545, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 34 GLU HN 34 GLU HG3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 538, 546, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 34 GLU HN 34 GLU QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 542, 543,
&end
#
# 34 GLU HN 35 TRP HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 538, 553, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 34 GLU HA 34 GLU HG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 540, 545, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 34 GLU HA 34 GLU HG3 3.91
&rst
ixpk= 0, nxpk= 0, iat= 540, 546, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 34 GLU HG2 35 TRP HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 545, 553, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 34 GLU HG3 35 TRP HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 546, 553, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 34 GLU QB 35 TRP HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 542, 543,
&end
#
# 35 TRP HN 35 TRP HD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 553, 561, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 35 TRP HN 35 TRP HE1 5.82
&rst
ixpk= 0, nxpk= 0, iat= 553, 563, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 35 TRP HN 35 TRP QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 557, 558,
&end
#
# 35 TRP HA 35 TRP HD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 555, 561, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 35 TRP HA 35 TRP HE1 5.84
&rst
ixpk= 0, nxpk= 0, iat= 555, 563, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 35 TRP HD1 39 THR QG2 5.68
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 623, 624, 625,
&end
#
# 35 TRP HZ3 39 THR QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 623, 624, 625,
&end
#
# 35 TRP QB 39 THR HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 557, 558,
&end
#
# 36 SER HA 38 ALA HN 5.83
&rst
ixpk= 0, nxpk= 0, iat= 579, 607, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 36 SER HA 39 THR HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 579, 617, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 36 SER HB2 37 LEU HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 36 SER HB2 39 THR HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 581, 617, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 36 SER HB3 37 LEU HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 582, 588, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 36 SER HB3 39 THR HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 582, 617, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 37 LEU HN 37 LEU HG 5.70
&rst
ixpk= 0, nxpk= 0, iat= 588, 595, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 37 LEU HN 37 LEU QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 597, 598, 599,
&end
#
# 37 LEU HN 37 LEU QD2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 601, 602, 603,
&end
#
# 37 LEU HA 37 LEU QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 597, 598, 599,
&end
#
# 37 LEU HA 37 LEU QD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 601, 602, 603,
&end
#
# 37 LEU HA 40 VAL HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 590, 631, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 37 LEU HA 40 VAL HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= 590, 635, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 37 LEU HA 41 LYS HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 590, 647, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 37 LEU HB2 37 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 597, 598, 599,
&end
#
# 37 LEU HB2 37 LEU QD2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 601, 602, 603,
&end
#
# 37 LEU HB3 37 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 597, 598, 599,
&end
#
# 37 LEU HB3 37 LEU QD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 601, 602, 603,
&end
#
# 37 LEU QD1 38 ALA HN 6.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 597, 598, 599,
&end
#
# 37 LEU QD1 38 ALA HA 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 597, 598, 599,
&end
#
# 37 LEU QD1 41 LYS HE2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 597, 598, 599,
&end
#
# 37 LEU QD1 41 LYS HE3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 597, 598, 599,
&end
#
# 37 LEU QD2 40 VAL HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 601, 602, 603,
&end
#
# 37 LEU QD2 40 VAL HB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 601, 602, 603,
&end
#
# 37 LEU QD2 41 LYS HN 6.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 601, 602, 603,
&end
#
# 37 LEU QD2 41 LYS HE2 6.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 601, 602, 603,
&end
#
# 38 ALA HN 39 THR HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 607, 617, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 38 ALA HA 40 VAL HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 609, 631, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 38 ALA HA 41 LYS HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 609, 647, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 38 ALA HA 41 LYS QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 651, 652,
&end
#
# 38 ALA HA 41 LYS QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 657, 658,
&end
#
# 38 ALA QB 39 THR HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 611, 612, 613,
&end
#
# 39 THR HN 39 THR HB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 617, 621, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 39 THR HN 39 THR QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 623, 624, 625,
&end
#
# 39 THR HN 40 VAL HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 617, 631, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 39 THR HN 41 LYS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 617, 647, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 39 THR HN 42 THR QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 675, 676, 677,
&end
#
# 39 THR HA 39 THR QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 623, 624, 625,
&end
#
# 39 THR HA 41 LYS HN 5.61
&rst
ixpk= 0, nxpk= 0, iat= 619, 647, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 39 THR HA 42 THR HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 619, 669, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 39 THR HA 43 LEU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 619, 683, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 39 THR HB 40 VAL HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 621, 631, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 39 THR HB 41 LYS HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 621, 647, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 39 THR QG2 40 VAL HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 623, 624, 625,
&end
#
# 39 THR QG2 41 LYS HN 6.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 623, 624, 625,
&end
#
# 39 THR QG2 42 THR HN 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 623, 624, 625,
&end
#
# 39 THR QG2 42 THR QG2 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 623, 624, 625,
igr2= 675, 676, 677,
&end
#
# 39 THR QG2 43 LEU HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 623, 624, 625,
&end
#
# 39 THR QG2 43 LEU QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 623, 624, 625,
igr2= 687, 688,
&end
#
# 39 THR QG2 43 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 623, 624, 625,
igr2= 692, 693, 694,
&end
#
# 40 VAL HN 40 VAL HB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 631, 635, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 40 VAL HN 40 VAL QG1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 637, 638, 639,
&end
#
# 40 VAL HN 40 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 641, 642, 643,
&end
#
# 40 VAL HN 41 LYS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 631, 647, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 40 VAL HN 41 LYS QB 5.84
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 651, 652,
&end
#
# 40 VAL HN 42 THR HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 631, 669, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 40 VAL HN 42 THR QG2 5.64
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 675, 676, 677,
&end
#
# 40 VAL HN 43 LEU QD1 5.85
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 692, 693, 694,
&end
#
# 40 VAL HA 40 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 637, 638, 639,
&end
#
# 40 VAL HA 40 VAL QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 641, 642, 643,
&end
#
# 40 VAL HA 42 THR QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 675, 676, 677,
&end
#
# 40 VAL HA 43 LEU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 633, 683, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 40 VAL HA 44 LEU HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 633, 702, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 VAL HB 41 LYS HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 635, 647, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 40 VAL QG1 41 LYS HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 637, 638, 639,
&end
#
# 40 VAL QG1 42 THR HN 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 637, 638, 639,
&end
#
# 40 VAL QG1 43 LEU HN 6.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 637, 638, 639,
&end
#
# 40 VAL QG1 44 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 637, 638, 639,
igr2= 711, 712, 713,
&end
#
# 40 VAL QG2 41 LYS HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 641, 642, 643,
&end
#
# 40 VAL QG2 42 THR HN 6.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 641, 642, 643,
&end
#
# 40 VAL QG2 43 LEU HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 641, 642, 643,
&end
#
# 40 VAL QG2 44 LEU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 641, 642, 643,
&end
#
# 40 VAL QG2 44 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 641, 642, 643,
igr2= 711, 712, 713,
&end
#
# 41 LYS HN 41 LYS HE2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 647, 660, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 41 LYS HN 41 LYS HE3 6.25
&rst
ixpk= 0, nxpk= 0, iat= 647, 661, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 41 LYS HN 41 LYS HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 647, 654, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 41 LYS HN 41 LYS HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 647, 655, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 41 LYS HN 41 LYS QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 651, 652,
&end
#
# 41 LYS HN 41 LYS QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 657, 658,
&end
#
# 41 LYS HN 42 THR HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 647, 669, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 LYS HN 42 THR QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 675, 676, 677,
&end
#
# 41 LYS HA 41 LYS HE2 6.25
&rst
ixpk= 0, nxpk= 0, iat= 649, 660, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 41 LYS HA 41 LYS HE3 5.99
&rst
ixpk= 0, nxpk= 0, iat= 649, 661, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 41 LYS HA 41 LYS QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 657, 658,
&end
#
# 41 LYS HA 44 LEU HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 649, 702, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 41 LYS HA 44 LEU QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 711, 712, 713,
&end
#
# 41 LYS HA 45 GLY HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 649, 721, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 41 LYS HG2 42 THR HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 654, 669, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 41 LYS HG3 41 LYS HE2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 655, 660, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 41 LYS HG3 41 LYS HE3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 655, 661, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 41 LYS HG3 42 THR HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 655, 669, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 41 LYS QB 41 LYS HE2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 651, 652,
&end
#
# 41 LYS QB 41 LYS HE3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 651, 652,
&end
#
# 41 LYS QB 41 LYS QD 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 651, 652,
igr2= 657, 658,
&end
#
# 41 LYS QB 42 THR HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 651, 652,
&end
#
# 41 LYS QD 42 THR HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 657, 658,
&end
#
# 42 THR HN 42 THR HB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 42 THR HN 42 THR QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 675, 676, 677,
&end
#
# 42 THR HN 43 LEU HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 669, 683, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 42 THR HN 44 LEU HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 669, 702, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 42 THR HN 45 GLY HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= 669, 721, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 42 THR HA 42 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 675, 676, 677,
&end
#
# 42 THR HA 44 LEU HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 671, 702, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 42 THR HA 45 GLY HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 671, 721, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 42 THR HA 46 ARG HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 671, 728, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 42 THR HB 43 LEU HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 673, 683, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 42 THR QG2 43 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 675, 676, 677,
&end
#
# 42 THR QG2 43 LEU QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 675, 676, 677,
igr2= 687, 688,
&end
#
# 42 THR QG2 44 LEU HN 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 675, 676, 677,
&end
#
# 43 LEU HN 43 LEU HG 5.42
&rst
ixpk= 0, nxpk= 0, iat= 683, 690, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 43 LEU HN 43 LEU QB 4.19
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 687, 688,
&end
#
# 43 LEU HN 43 LEU QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 692, 693, 694,
&end
#
# 43 LEU HN 43 LEU QD2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 696, 697, 698,
&end
#
# 43 LEU HN 44 LEU HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 683, 702, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 43 LEU HA 43 LEU QD1 5.62
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 692, 693, 694,
&end
#
# 43 LEU HA 43 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 696, 697, 698,
&end
#
# 43 LEU HA 46 ARG HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= 685, 728, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 43 LEU O 47 LEU HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 700, 752, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 43 LEU O 47 LEU N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 700, 751, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 LEU QB 43 LEU QD2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 687, 688,
igr2= 696, 697, 698,
&end
#
# 43 LEU QB 44 LEU HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 687, 688,
&end
#
# 43 LEU QD2 44 LEU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 696, 697, 698,
&end
#
# 43 LEU QD2 45 GLY HN 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 696, 697, 698,
&end
#
# 43 LEU QD2 46 ARG HN 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 696, 697, 698,
&end
#
# 44 LEU HN 44 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 702, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HN 44 LEU QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 711, 712, 713,
&end
#
# 44 LEU HN 44 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 715, 716, 717,
&end
#
# 44 LEU HN 45 GLY HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 702, 721, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 44 LEU HA 44 LEU QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 711, 712, 713,
&end
#
# 44 LEU HA 44 LEU QD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 715, 716, 717,
&end
#
# 44 LEU HA 47 LEU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 704, 752, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 44 LEU HA 47 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 761, 762, 763,
&end
#
# 44 LEU HA 47 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 765, 766, 767,
&end
#
# 44 LEU HB2 45 GLY HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 706, 721, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 44 LEU HG 45 GLY HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 709, 721, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 44 LEU HG 46 ARG HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 709, 728, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 44 LEU QD1 45 GLY HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 711, 712, 713,
&end
#
# 44 LEU QD1 48 VAL QG1 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 711, 712, 713,
igr2= 777, 778, 779,
&end
#
# 44 LEU QD2 45 GLY HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 715, 716, 717,
&end
#
# 44 LEU QD2 47 LEU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 715, 716, 717,
&end
#
# 44 LEU QD2 48 VAL QG1 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 715, 716, 717,
igr2= 777, 778, 779,
&end
#
# 45 GLY HN 45 GLY HA2 2.88
&rst
ixpk= 0, nxpk= 0, iat= 721, 723, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 45 GLY HN 45 GLY HA3 2.83
&rst
ixpk= 0, nxpk= 0, iat= 721, 724, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 45 GLY HN 46 ARG HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 721, 728, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 45 GLY HN 46 ARG HB2 5.70
&rst
ixpk= 0, nxpk= 0, iat= 721, 732, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 45 GLY HN 46 ARG HG3 5.70
&rst
ixpk= 0, nxpk= 0, iat= 721, 736, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 45 GLY HN 48 VAL QG2 6.19
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr2= 781, 782, 783,
&end
#
# 45 GLY HA2 48 VAL HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 723, 771, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 45 GLY HA2 48 VAL QG1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 777, 778, 779,
&end
#
# 45 GLY HA2 48 VAL QG2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 781, 782, 783,
&end
#
# 45 GLY HA3 48 VAL HN 5.60
&rst
ixpk= 0, nxpk= 0, iat= 724, 771, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 45 GLY HA3 48 VAL QG2 6.05
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 781, 782, 783,
&end
#
# 46 ARG HN 46 ARG HD2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 728, 738, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 46 ARG HN 46 ARG HD3 5.31
&rst
ixpk= 0, nxpk= 0, iat= 728, 739, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 46 ARG HN 46 ARG HG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 728, 735, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 46 ARG HN 46 ARG HG3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 728, 736, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 46 ARG HN 47 LEU HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 728, 752, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 46 ARG HN 47 LEU QD2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 765, 766, 767,
&end
#
# 46 ARG HN 48 VAL HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 728, 771, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 46 ARG HN 48 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 777, 778, 779,
&end
#
# 46 ARG HN 49 LYS HN 5.84
&rst
ixpk= 0, nxpk= 0, iat= 728, 787, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 46 ARG HA 46 ARG HD2 6.25
&rst
ixpk= 0, nxpk= 0, iat= 730, 738, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 46 ARG HA 46 ARG HD3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 730, 739, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 46 ARG HB2 47 LEU HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 732, 752, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 46 ARG HB2 48 VAL HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 732, 771, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 46 ARG HB3 46 ARG HD3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 733, 739, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 46 ARG HB3 48 VAL HN 5.86
&rst
ixpk= 0, nxpk= 0, iat= 733, 771, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 46 ARG HG2 47 LEU HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 735, 752, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 46 ARG HG3 47 LEU HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 736, 752, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 47 LEU HN 47 LEU HG 5.33
&rst
ixpk= 0, nxpk= 0, iat= 752, 759, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 47 LEU HN 47 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 761, 762, 763,
&end
#
# 47 LEU HN 47 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 765, 766, 767,
&end
#
# 47 LEU HN 48 VAL HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 752, 771, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 47 LEU HA 47 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 761, 762, 763,
&end
#
# 47 LEU HA 47 LEU QD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 765, 766, 767,
&end
#
# 47 LEU HA 49 LYS HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 754, 787, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 47 LEU HA 50 LYS HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 754, 809, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 47 LEU HA 52 MET HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 754, 846, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 47 LEU HB2 47 LEU QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 761, 762, 763,
&end
#
# 47 LEU HB2 47 LEU QD2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 765, 766, 767,
&end
#
# 47 LEU HB2 48 VAL HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 756, 771, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 47 LEU HB2 48 VAL QG2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 781, 782, 783,
&end
#
# 47 LEU HB2 52 MET HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 756, 846, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 47 LEU HB2 53 LEU HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 756, 863, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 47 LEU HB3 47 LEU QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 761, 762, 763,
&end
#
# 47 LEU HB3 47 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 765, 766, 767,
&end
#
# 47 LEU HB3 52 MET HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 757, 846, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 47 LEU HG 48 VAL HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 759, 771, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 47 LEU QD1 48 VAL HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 761, 762, 763,
&end
#
# 47 LEU QD2 48 VAL HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 765, 766, 767,
&end
#
# 47 LEU QD2 52 MET HN 6.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 765, 766, 767,
&end
#
# 48 VAL HN 48 VAL HB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 771, 775, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 48 VAL HN 48 VAL QG1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 777, 778, 779,
&end
#
# 48 VAL HN 48 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 781, 782, 783,
&end
#
# 48 VAL HN 49 LYS HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 771, 787, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 48 VAL HN 52 MET QB 5.73
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 850, 851,
&end
#
# 48 VAL HA 48 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 777, 778, 779,
&end
#
# 48 VAL HA 51 GLU HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 773, 831, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 48 VAL HA 52 MET HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 773, 846, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 48 VAL HA 53 LEU HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 773, 863, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 48 VAL HB 49 LYS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 775, 787, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 48 VAL QG1 49 LYS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 777, 778, 779,
&end
#
# 48 VAL QG1 55 THR QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 777, 778, 779,
igr2= 899, 900, 901,
&end
#
# 48 VAL QG1 64 TYR QE 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 777, 778, 779,
igr2=1058,1063,
&end
#
# 48 VAL QG2 49 LYS HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 781, 782, 783,
&end
#
# 48 VAL QG2 49 LYS HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 781, 782, 783,
&end
#
# 48 VAL QG2 49 LYS HG3 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 781, 782, 783,
&end
#
# 48 VAL QG2 49 LYS QD 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 781, 782, 783,
igr2= 797, 798,
&end
#
# 48 VAL QG2 55 THR HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 781, 782, 783,
&end
#
# 49 LYS HN 49 LYS HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 787, 794, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 49 LYS HN 49 LYS HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 787, 795, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 49 LYS HN 49 LYS QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 791, 792,
&end
#
# 49 LYS HN 49 LYS QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 797, 798,
&end
#
# 49 LYS HN 49 LYS QE 4.89
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 800, 801,
&end
#
# 49 LYS HN 50 LYS HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 787, 809, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 49 LYS HA 49 LYS HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 789, 794, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 49 LYS HA 49 LYS HG3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 789, 795, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 49 LYS HA 49 LYS QD 3.59
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 797, 798,
&end
#
# 49 LYS HA 49 LYS QE 4.48
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 800, 801,
&end
#
# 49 LYS HG2 49 LYS QE 3.64
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 800, 801,
&end
#
# 49 LYS HG2 50 LYS HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 794, 809, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 49 LYS HG3 49 LYS QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 800, 801,
&end
#
# 49 LYS HG3 50 LYS HN 6.14
&rst
ixpk= 0, nxpk= 0, iat= 795, 809, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, &end
#
# 49 LYS QB 49 LYS HG3 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
igr1= 791, 792,
&end
#
# 49 LYS QB 49 LYS QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 791, 792,
igr2= 797, 798,
&end
#
# 49 LYS QB 49 LYS QE 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
igr1= 791, 792,
igr2= 800, 801,
&end
#
# 49 LYS QB 50 LYS HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 791, 792,
&end
#
# 49 LYS QD 50 LYS HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 797, 798,
&end
#
# 50 LYS HA 52 MET HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 811, 846, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 50 LYS QB 51 GLU HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 813, 814,
&end
#
# 50 LYS QB 52 MET HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 813, 814,
&end
#
# 51 GLU HN 52 MET HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 831, 846, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 51 GLU HA 53 LEU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 833, 863, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 52 MET HN 52 MET QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 850, 851,
&end
#
# 52 MET HN 52 MET QG 3.74
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 853, 854,
&end
#
# 52 MET HN 53 LEU HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 846, 863, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 52 MET HN 53 LEU QD2 5.55
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 876, 877, 878,
&end
#
# 52 MET HA 52 MET QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 853, 854,
&end
#
# 52 MET QB 53 LEU HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 850, 851,
&end
#
# 52 MET QG 53 LEU HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 853, 854,
&end
#
# 53 LEU HN 53 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 876, 877, 878,
&end
#
# 53 LEU HN 54 SER HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 863, 882, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 53 LEU HA 53 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 876, 877, 878,
&end
#
# 53 LEU HB2 54 SER HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 867, 882, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 53 LEU HB3 54 SER HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 868, 882, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 53 LEU QD2 54 SER HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 876, 877, 878,
&end
#
# 54 SER HN 55 THR HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 882, 893, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 54 SER HN 65 ARG HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 882,1069, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 54 SER HN 65 ARG O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 882,1091, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 54 SER HN 65 ARG QB 5.98
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1073,1074,
&end
#
# 54 SER HA 55 THR HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= 884, 893, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 54 SER HA 55 THR QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 899, 900, 901,
&end
#
# 54 SER HB2 55 THR HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 54 SER HB2 56 GLU HN 6.25
&rst
ixpk= 0, nxpk= 0, iat= 886, 907, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 54 SER HB2 67 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1120,1121,1122,
&end
#
# 54 SER HB3 55 THR HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 887, 893, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 54 SER HB3 55 THR QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 899, 900, 901,
&end
#
# 54 SER HB3 67 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1120,1121,1122,
&end
#
# 54 SER N 65 ARG O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 881,1091, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 55 THR HN 55 THR QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 899, 900, 901,
&end
#
# 55 THR HA 55 THR QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 899, 900, 901,
&end
#
# 55 THR HA 63 VAL HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 895,1032, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 55 THR HA 64 TYR HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= 895,1050, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 55 THR HA 64 TYR QD 5.31
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1056,1065,
&end
#
# 55 THR HA 65 ARG HN 2.86
&rst
ixpk= 0, nxpk= 0, iat= 895,1069, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 55 THR HB 56 GLU HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 897, 907, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 55 THR QG2 56 GLU HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 899, 900, 901,
&end
#
# 55 THR QG2 62 PHE QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 899, 900, 901,
igr2=1020,1028,
&end
#
# 55 THR QG2 62 PHE QE 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 899, 900, 901,
igr2=1022,1026,
&end
#
# 55 THR QG2 64 TYR QD 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 899, 900, 901,
igr2=1056,1065,
&end
#
# 55 THR QG2 64 TYR QE 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 899, 900, 901,
igr2=1058,1063,
&end
#
# 55 THR QG2 65 ARG HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 899, 900, 901,
&end
#
# 56 GLU HN 56 GLU QG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 914, 915,
&end
#
# 56 GLU HN 62 PHE HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 907,1014, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 56 GLU HN 62 PHE QD 6.25
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1020,1028,
&end
#
# 56 GLU HN 63 VAL HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 907,1032, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 56 GLU HN 63 VAL HA 6.23
&rst
ixpk= 0, nxpk= 0, iat= 907,1034, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, &end
#
# 56 GLU HN 63 VAL O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 907,1046, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 56 GLU HN 63 VAL QQG 4.87
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 56 GLU HN 64 TYR HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= 907,1050, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 56 GLU HN 64 TYR QD 6.25
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1056,1065,
&end
#
# 56 GLU HA 56 GLU QG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 914, 915,
&end
#
# 56 GLU HA 63 VAL HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 909,1032, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 56 GLU HB2 57 LYS HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 911, 922, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 56 GLU HB2 58 GLU HN 6.02
&rst
ixpk= 0, nxpk= 0, iat= 911, 944, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, &end
#
# 56 GLU N 63 VAL O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 906,1046, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 56 GLU O 63 VAL HN 2.00
&rst
ixpk= 0, nxpk= 0, iat= 920,1032, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 56 GLU O 63 VAL N 3.00
&rst
ixpk= 0, nxpk= 0, iat= 920,1031, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 56 GLU QG 57 LYS HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 914, 915,
&end
#
# 57 LYS HN 57 LYS HD3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 922, 933, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 57 LYS HN 57 LYS HG2 6.25
&rst
ixpk= 0, nxpk= 0, iat= 922, 929, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75, &end
#
# 57 LYS HN 57 LYS HG3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 57 LYS HN 57 LYS QE 6.26
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 935, 936,
&end
#
# 57 LYS HA 57 LYS HD2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 924, 932, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 57 LYS HA 57 LYS HD3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 924, 933, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 57 LYS HA 57 LYS QE 5.39
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 935, 936,
&end
#
# 57 LYS HA 62 PHE HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 924,1012, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 57 LYS HA 62 PHE HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= 924,1014, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 57 LYS HA 63 VAL HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 924,1032, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 57 LYS HB2 57 LYS HD3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 926, 933, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 57 LYS HB2 57 LYS QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 935, 936,
&end
#
# 57 LYS HB2 58 GLU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 926, 944, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 57 LYS HB3 57 LYS HD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 927, 932, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 57 LYS HB3 57 LYS QE 6.21
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 935, 936,
&end
#
# 57 LYS HB3 58 GLU HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 927, 944, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 57 LYS HD3 58 GLU HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 933, 944, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 57 LYS HG2 58 GLU HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 929, 944, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 57 LYS HG3 58 GLU HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 930, 944, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 57 LYS QE 58 GLU HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 935, 936,
&end
#
# 58 GLU HN 58 GLU HG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 944, 951, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 58 GLU HN 58 GLU HG3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 944, 952, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 58 GLU HN 61 LYS O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 944,1010, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 58 GLU HN 62 PHE HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= 944,1014, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 58 GLU HN 62 PHE QD 5.61
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1020,1028,
&end
#
# 58 GLU HN 63 VAL HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 944,1032, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 58 GLU HN 63 VAL QQG 4.90
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 58 GLU HA 58 GLU HG2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 946, 951, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 58 GLU HA 58 GLU HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 946, 952, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 58 GLU HB2 58 GLU HG2 2.70
&rst
ixpk= 0, nxpk= 0, iat= 948, 951, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 58 GLU N 61 LYS O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 943,1010, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 60 ARG QB 61 LYS HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 970, 971,
&end
#
# 61 LYS HN 61 LYS QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 994, 995,
&end
#
# 61 LYS HN 61 LYS QD 4.49
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1000,1001,
&end
#
# 61 LYS HN 61 LYS QG 4.19
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 997, 998,
&end
#
# 61 LYS HA 61 LYS QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1000,1001,
&end
#
# 61 LYS HA 61 LYS QG 3.73
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 997, 998,
&end
#
# 61 LYS QB 61 LYS QD 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 994, 995,
igr2=1000,1001,
&end
#
# 61 LYS QB 62 PHE HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 994, 995,
&end
#
# 61 LYS QD 62 PHE HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1000,1001,
&end
#
# 61 LYS QG 62 PHE HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 997, 998,
&end
#
# 62 PHE HN 62 PHE QD 4.57
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1020,1028,
&end
#
# 62 PHE HN 63 VAL HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=1012,1032, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 62 PHE HN 63 VAL HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1012,1034, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 62 PHE HA 62 PHE QE 4.80
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1022,1026,
&end
#
# 62 PHE HB2 63 VAL HN 4.76
&rst
ixpk= 0, nxpk= 0, iat=1016,1032, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 62 PHE HB3 63 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1017,1032, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 62 PHE QD 63 VAL HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1020,1028,
&end
#
# 63 VAL HN 63 VAL QQG 4.11
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 63 VAL HN 64 TYR HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=1032,1048, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 63 VAL HA 63 VAL QQG 3.76
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1038,1039,1040,1042,1043,1044,
&end
#
# 63 VAL HB 64 TYR HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=1036,1048, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 63 VAL QQG 64 TYR HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1038,1039,1040,1042,1043,1044,
&end
#
# 63 VAL QQG 65 ARG HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1038,1039,1040,1042,1043,1044,
&end
#
# 64 TYR HN 64 TYR QD 4.26
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1056,1065,
&end
#
# 64 TYR HN 64 TYR QE 5.40
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1058,1063,
&end
#
# 64 TYR HA 64 TYR QD 4.79
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1056,1065,
&end
#
# 64 TYR HA 65 ARG HN 2.52
&rst
ixpk= 0, nxpk= 0, iat=1050,1069, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 64 TYR HB2 65 ARG HN 5.74
&rst
ixpk= 0, nxpk= 0, iat=1052,1069, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 64 TYR QD 65 ARG HN 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1056,1065,
&end
#
# 67 LEU HN 67 LEU HG 5.10
&rst
ixpk= 0, nxpk= 0, iat=1107,1114, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 67 LEU HN 67 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1116,1117,1118,
&end
#
# 67 LEU HN 67 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1120,1121,1122,
&end
#
# 67 LEU HA 67 LEU HB3 2.92
&rst
ixpk= 0, nxpk= 0, iat=1109,1112, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 67 LEU HA 67 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1116,1117,1118,
&end
#
# 67 LEU HA 67 LEU QD2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1120,1121,1122,
&end
#
# 67 LEU HB2 67 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1116,1117,1118,
&end
#
# 67 LEU HB2 67 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1120,1121,1122,
&end
#
# 67 LEU HB3 67 LEU HG 2.40
&rst
ixpk= 0, nxpk= 0, iat=1112,1114, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 67 LEU HB3 67 LEU QD2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1120,1121,1122,
&end
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